USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=16 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 43 LYS NZ :NH3+ 150:sc= -7.05! (180deg=0) USER MOD Set 1.2: A 47 HIS : no HD1:sc= -6.67! C(o=-14!,f=-14!) USER MOD Set 1.3: A 69 HIS : no HE2:sc= 0 X(o=-14,f=-14) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 31 HIS : no HE2:sc= 0 X(o=0,f=-0.045) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -4.31 K(o=-6.1,f=-7.9!) USER MOD Set 3.2: A 55 HIS : no HD1:sc= -1.78 X(o=-6.1,f=-5.6) 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= -1.19! C(o=-1.2!,f=-1.2!) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -0.0301 (180deg=-0.999) USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -0.0855 (180deg=-0.545) USER MOD Single : A 21 GLN : amide:sc= -2.29! C(o=-2.3!,f=-2.5!) 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= 0.0611 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 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.157) 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 -80:sc= 0.133 USER MOD Single : A 58 MET CE :methyl -118:sc=-0.00871 (180deg=-0.91) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -107:sc= -1.67! (180deg=-4.13!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 67:sc= 0.145 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -150:sc= -0.224 (180deg=-1.23!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 1.533 2.457 -1.626 1.00 1.00 N ATOM 12 CA ASP A 2 0.954 3.617 -2.283 1.00 1.00 C ATOM 13 C ASP A 2 -0.539 3.689 -1.958 1.00 1.00 C ATOM 14 O ASP A 2 -0.973 4.555 -1.200 1.00 1.00 O ATOM 15 CB ASP A 2 1.103 3.519 -3.803 1.00 1.00 C ATOM 16 CG ASP A 2 1.033 2.101 -4.370 1.00 1.00 C ATOM 17 OD1 ASP A 2 1.863 1.240 -4.042 1.00 1.00 O ATOM 18 OD2 ASP A 2 0.063 1.891 -5.195 1.00 1.00 O ATOM 0 HA ASP A 2 1.477 4.504 -1.925 1.00 1.00 H new ATOM 0 HB2 ASP A 2 0.321 4.119 -4.269 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.057 3.961 -4.089 1.00 1.00 H new ATOM 24 N ASP A 3 -1.286 2.767 -2.548 1.00 1.00 N ATOM 25 CA ASP A 3 -2.722 2.715 -2.331 1.00 1.00 C ATOM 26 C ASP A 3 -3.017 1.850 -1.105 1.00 1.00 C ATOM 27 O ASP A 3 -2.578 0.703 -1.029 1.00 1.00 O ATOM 28 CB ASP A 3 -3.439 2.094 -3.531 1.00 1.00 C ATOM 29 CG ASP A 3 -2.786 0.828 -4.090 1.00 1.00 C ATOM 30 OD1 ASP A 3 -2.298 0.811 -5.230 1.00 1.00 O ATOM 31 OD2 ASP A 3 -2.790 -0.186 -3.292 1.00 1.00 O ATOM 0 H ASP A 3 -0.924 2.050 -3.176 1.00 1.00 H new ATOM 0 HA ASP A 3 -3.078 3.735 -2.187 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -4.463 1.859 -3.241 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -3.495 2.837 -4.326 1.00 1.00 H new ATOM 37 N ILE A 4 -3.759 2.431 -0.174 1.00 1.00 N ATOM 38 CA ILE A 4 -4.117 1.727 1.046 1.00 1.00 C ATOM 39 C ILE A 4 -5.607 1.379 1.009 1.00 1.00 C ATOM 40 O ILE A 4 -6.458 2.266 1.069 1.00 1.00 O ATOM 41 CB ILE A 4 -3.706 2.540 2.275 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.186 2.703 2.340 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.271 1.922 3.555 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.728 3.007 3.767 1.00 1.00 C ATOM 0 H ILE A 4 -4.122 3.382 -0.240 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.570 0.787 1.118 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.134 3.538 2.184 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.704 1.792 1.986 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.874 3.508 1.675 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.964 2.519 4.414 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.359 1.900 3.499 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.893 0.906 3.666 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.644 3.118 3.785 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.193 3.931 4.109 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -2.020 2.188 4.425 1.00 1.00 H new ATOM 51 N VAL A 5 -5.878 0.086 0.910 1.00 1.00 N ATOM 52 CA VAL A 5 -7.250 -0.390 0.865 1.00 1.00 C ATOM 53 C VAL A 5 -7.786 -0.524 2.292 1.00 1.00 C ATOM 54 O VAL A 5 -7.178 -1.193 3.127 1.00 1.00 O ATOM 55 CB VAL A 5 -7.325 -1.697 0.073 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.636 -2.434 0.353 1.00 1.00 C ATOM 57 CG2 VAL A 5 -7.150 -1.441 -1.425 1.00 1.00 C ATOM 0 H VAL A 5 -5.170 -0.647 0.860 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.886 0.326 0.345 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.505 -2.335 0.402 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.663 -3.359 -0.222 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.703 -2.666 1.416 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.477 -1.803 0.065 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.207 -2.386 -1.965 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.939 -0.775 -1.775 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -6.179 -0.979 -1.604 1.00 1.00 H new ATOM 63 N LEU A 6 -8.919 0.121 2.527 1.00 1.00 N ATOM 64 CA LEU A 6 -9.544 0.082 3.839 1.00 1.00 C ATOM 65 C LEU A 6 -10.728 -0.887 3.807 1.00 1.00 C ATOM 66 O LEU A 6 -11.877 -0.464 3.694 1.00 1.00 O ATOM 67 CB LEU A 6 -9.916 1.493 4.297 1.00 1.00 C ATOM 68 CG LEU A 6 -8.818 2.552 4.172 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.405 3.962 4.246 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.722 2.330 5.215 1.00 1.00 C ATOM 0 H LEU A 6 -9.421 0.674 1.832 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.843 -0.295 4.584 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.780 1.824 3.721 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.229 1.444 5.340 1.00 1.00 H new ATOM 0 HG LEU A 6 -8.354 2.449 3.191 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.604 4.695 4.155 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -10.119 4.102 3.434 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.912 4.096 5.202 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.954 3.096 5.105 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.153 2.390 6.214 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.276 1.346 5.071 1.00 1.00 H new ATOM 78 N LYS A 7 -10.406 -2.167 3.907 1.00 1.00 N ATOM 79 CA LYS A 7 -11.428 -3.200 3.891 1.00 1.00 C ATOM 80 C LYS A 7 -12.664 -2.698 4.639 1.00 1.00 C ATOM 81 O LYS A 7 -12.635 -2.543 5.859 1.00 1.00 O ATOM 82 CB LYS A 7 -10.870 -4.515 4.436 1.00 1.00 C ATOM 83 CG LYS A 7 -10.155 -4.297 5.771 1.00 1.00 C ATOM 84 CD LYS A 7 -10.611 -5.322 6.812 1.00 1.00 C ATOM 85 CE LYS A 7 -10.789 -4.668 8.183 1.00 1.00 C ATOM 86 NZ LYS A 7 -9.474 -4.334 8.773 1.00 1.00 N ATOM 0 H LYS A 7 -9.451 -2.513 4.000 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.739 -3.414 2.868 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -11.681 -5.232 4.567 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.176 -4.947 3.714 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.077 -4.374 5.627 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.356 -3.290 6.135 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.551 -5.773 6.496 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -9.879 -6.126 6.881 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -11.391 -3.764 8.086 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -11.331 -5.342 8.846 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -9.613 -3.891 9.703 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -8.913 -5.202 8.884 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -8.970 -3.674 8.147 1.00 1.00 H new ATOM 99 N ALA A 8 -13.722 -2.460 3.877 1.00 1.00 N ATOM 100 CA ALA A 8 -14.966 -1.980 4.455 1.00 1.00 C ATOM 101 C ALA A 8 -16.009 -3.099 4.411 1.00 1.00 C ATOM 102 O ALA A 8 -15.799 -4.123 3.762 1.00 1.00 O ATOM 103 CB ALA A 8 -15.425 -0.727 3.707 1.00 1.00 C ATOM 0 H ALA A 8 -13.743 -2.590 2.866 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.823 -1.703 5.500 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.358 -0.366 4.140 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.662 0.047 3.792 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.582 -0.968 2.656 1.00 1.00 H new ATOM 109 N LYS A 9 -17.110 -2.865 5.110 1.00 1.00 N ATOM 110 CA LYS A 9 -18.185 -3.841 5.159 1.00 1.00 C ATOM 111 C LYS A 9 -19.229 -3.498 4.095 1.00 1.00 C ATOM 112 O LYS A 9 -20.122 -4.296 3.815 1.00 1.00 O ATOM 113 CB LYS A 9 -18.759 -3.935 6.575 1.00 1.00 C ATOM 114 CG LYS A 9 -18.263 -5.196 7.284 1.00 1.00 C ATOM 115 CD LYS A 9 -19.383 -6.230 7.414 1.00 1.00 C ATOM 116 CE LYS A 9 -18.824 -7.596 7.819 1.00 1.00 C ATOM 117 NZ LYS A 9 -19.477 -8.673 7.040 1.00 1.00 N ATOM 0 H LYS A 9 -17.281 -2.014 5.647 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.806 -4.836 4.926 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.470 -3.054 7.148 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.848 -3.943 6.530 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -17.430 -5.626 6.728 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -17.886 -4.937 8.273 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -20.108 -5.895 8.156 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -19.914 -6.317 6.466 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -17.747 -7.619 7.652 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -18.985 -7.760 8.884 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -19.087 -9.594 7.326 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -20.501 -8.660 7.220 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -19.302 -8.523 6.026 1.00 1.00 H new ATOM 130 N ASN A 10 -19.082 -2.308 3.529 1.00 1.00 N ATOM 131 CA ASN A 10 -20.002 -1.849 2.502 1.00 1.00 C ATOM 132 C ASN A 10 -19.216 -1.123 1.409 1.00 1.00 C ATOM 133 O ASN A 10 -19.422 0.067 1.176 1.00 1.00 O ATOM 134 CB ASN A 10 -21.026 -0.869 3.077 1.00 1.00 C ATOM 135 CG ASN A 10 -21.802 -0.167 1.960 1.00 1.00 C ATOM 136 OD1 ASN A 10 -22.333 -0.788 1.053 1.00 1.00 O ATOM 137 ND2 ASN A 10 -21.836 1.156 2.076 1.00 1.00 N ATOM 0 H ASN A 10 -18.340 -1.648 3.762 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.522 -2.719 2.101 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.720 -1.402 3.727 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -20.518 -0.127 3.693 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -22.328 1.716 1.380 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -21.370 1.611 2.861 1.00 1.00 H new ATOM 143 N GLY A 11 -18.330 -1.869 0.765 1.00 1.00 N ATOM 144 CA GLY A 11 -17.512 -1.312 -0.299 1.00 1.00 C ATOM 145 C GLY A 11 -16.146 -0.875 0.233 1.00 1.00 C ATOM 146 O GLY A 11 -16.059 -0.215 1.267 1.00 1.00 O ATOM 0 H GLY A 11 -18.161 -2.856 0.960 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.379 -2.053 -1.087 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -18.022 -0.459 -0.746 1.00 1.00 H new ATOM 150 N ASP A 12 -15.111 -1.261 -0.499 1.00 1.00 N ATOM 151 CA ASP A 12 -13.752 -0.917 -0.114 1.00 1.00 C ATOM 152 C ASP A 12 -13.496 0.558 -0.428 1.00 1.00 C ATOM 153 O ASP A 12 -14.315 1.212 -1.071 1.00 1.00 O ATOM 154 CB ASP A 12 -12.732 -1.749 -0.893 1.00 1.00 C ATOM 155 CG ASP A 12 -13.225 -3.128 -1.336 1.00 1.00 C ATOM 156 OD1 ASP A 12 -13.405 -4.038 -0.513 1.00 1.00 O ATOM 157 OD2 ASP A 12 -13.431 -3.252 -2.604 1.00 1.00 O ATOM 0 H ASP A 12 -15.186 -1.808 -1.356 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.643 -1.117 0.952 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -12.427 -1.188 -1.776 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -11.844 -1.879 -0.275 1.00 1.00 H new ATOM 163 N VAL A 13 -12.354 1.041 0.042 1.00 1.00 N ATOM 164 CA VAL A 13 -11.980 2.427 -0.181 1.00 1.00 C ATOM 165 C VAL A 13 -10.574 2.481 -0.781 1.00 1.00 C ATOM 166 O VAL A 13 -9.641 1.887 -0.242 1.00 1.00 O ATOM 167 CB VAL A 13 -12.103 3.218 1.123 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.521 4.624 0.967 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.558 3.275 1.594 1.00 1.00 C ATOM 0 H VAL A 13 -11.676 0.497 0.576 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.657 2.895 -0.896 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.524 2.699 1.887 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.621 5.166 1.908 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.467 4.554 0.699 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -12.060 5.156 0.183 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.618 3.843 2.523 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.168 3.760 0.832 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -13.926 2.263 1.763 1.00 1.00 H new ATOM 175 N LYS A 14 -10.466 3.198 -1.891 1.00 1.00 N ATOM 176 CA LYS A 14 -9.189 3.336 -2.571 1.00 1.00 C ATOM 177 C LYS A 14 -8.562 4.681 -2.198 1.00 1.00 C ATOM 178 O LYS A 14 -9.002 5.727 -2.670 1.00 1.00 O ATOM 179 CB LYS A 14 -9.360 3.134 -4.078 1.00 1.00 C ATOM 180 CG LYS A 14 -8.981 1.709 -4.486 1.00 1.00 C ATOM 181 CD LYS A 14 -7.582 1.348 -3.982 1.00 1.00 C ATOM 182 CE LYS A 14 -6.811 0.546 -5.033 1.00 1.00 C ATOM 183 NZ LYS A 14 -5.879 1.425 -5.774 1.00 1.00 N ATOM 0 H LYS A 14 -11.242 3.689 -2.336 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.497 2.559 -2.245 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.393 3.334 -4.361 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -8.738 3.848 -4.617 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -9.709 1.006 -4.083 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -9.016 1.616 -5.572 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -7.033 2.258 -3.739 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.661 0.768 -3.063 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -6.256 -0.258 -4.550 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -7.510 0.079 -5.727 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -5.053 0.874 -6.082 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -6.362 1.820 -6.606 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -5.567 2.200 -5.155 1.00 1.00 H new ATOM 196 N PHE A 15 -7.542 4.608 -1.355 1.00 1.00 N ATOM 197 CA PHE A 15 -6.849 5.807 -0.914 1.00 1.00 C ATOM 198 C PHE A 15 -5.352 5.717 -1.216 1.00 1.00 C ATOM 199 O PHE A 15 -4.637 4.850 -0.720 1.00 1.00 O ATOM 200 CB PHE A 15 -7.046 5.906 0.600 1.00 1.00 C ATOM 201 CG PHE A 15 -6.199 6.990 1.269 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.590 8.292 1.209 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.056 6.653 1.924 1.00 1.00 C ATOM 204 CE1 PHE A 15 -5.803 9.298 1.830 1.00 1.00 C ATOM 205 CE2 PHE A 15 -4.269 7.659 2.544 1.00 1.00 C ATOM 206 CZ PHE A 15 -4.660 8.961 2.484 1.00 1.00 C ATOM 0 H PHE A 15 -7.179 3.738 -0.966 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.246 6.679 -1.434 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.098 6.102 0.807 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.807 4.943 1.051 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.498 8.560 0.690 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -4.747 5.619 1.973 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.113 10.331 1.783 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -3.361 7.391 3.063 1.00 1.00 H new ATOM 0 HZ PHE A 15 -4.062 9.727 2.956 1.00 1.00 H new ATOM 216 N PRO A 16 -4.889 6.649 -2.053 1.00 1.00 N ATOM 217 CA PRO A 16 -3.509 6.753 -2.474 1.00 1.00 C ATOM 218 C PRO A 16 -2.709 7.506 -1.421 1.00 1.00 C ATOM 219 O PRO A 16 -2.602 8.728 -1.509 1.00 1.00 O ATOM 220 CB PRO A 16 -3.558 7.533 -3.787 1.00 1.00 C ATOM 221 CG PRO A 16 -4.751 8.449 -3.572 1.00 1.00 C ATOM 222 CD PRO A 16 -5.702 7.683 -2.654 1.00 1.00 C ATOM 0 HA PRO A 16 -3.030 5.782 -2.603 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.640 8.094 -3.962 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.698 6.876 -4.646 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.444 9.391 -3.119 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.233 8.693 -4.519 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.132 8.338 -1.896 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.533 7.256 -3.215 1.00 1.00 H new ATOM 230 N HIS A 17 -2.165 6.774 -0.449 1.00 1.00 N ATOM 231 CA HIS A 17 -1.373 7.356 0.630 1.00 1.00 C ATOM 232 C HIS A 17 -0.180 8.131 0.041 1.00 1.00 C ATOM 233 O HIS A 17 -0.006 9.313 0.334 1.00 1.00 O ATOM 234 CB HIS A 17 -0.981 6.243 1.613 1.00 1.00 C ATOM 235 CG HIS A 17 -0.300 6.676 2.892 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.029 6.773 3.003 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.813 7.034 4.115 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.331 7.175 4.246 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.231 7.352 4.975 1.00 1.00 N ATOM 0 H HIS A 17 -2.262 5.760 -0.389 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.948 8.087 1.198 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.882 5.690 1.878 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.321 5.548 1.094 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.862 7.064 4.368 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.336 7.334 4.609 1.00 1.00 H new ATOM 0 HE2 HIS A 17 0.169 7.654 5.947 1.00 1.00 H new ATOM 247 N LYS A 18 0.602 7.435 -0.772 1.00 1.00 N ATOM 248 CA LYS A 18 1.763 8.046 -1.397 1.00 1.00 C ATOM 249 C LYS A 18 1.363 9.395 -1.998 1.00 1.00 C ATOM 250 O LYS A 18 2.161 10.331 -2.018 1.00 1.00 O ATOM 251 CB LYS A 18 2.394 7.085 -2.406 1.00 1.00 C ATOM 252 CG LYS A 18 3.287 7.838 -3.394 1.00 1.00 C ATOM 253 CD LYS A 18 4.650 7.155 -3.533 1.00 1.00 C ATOM 254 CE LYS A 18 5.640 8.053 -4.277 1.00 1.00 C ATOM 255 NZ LYS A 18 5.937 9.267 -3.485 1.00 1.00 N ATOM 0 H LYS A 18 0.454 6.455 -1.012 1.00 1.00 H new ATOM 0 HA LYS A 18 2.536 8.245 -0.655 1.00 1.00 H new ATOM 0 HB2 LYS A 18 2.981 6.333 -1.879 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.611 6.555 -2.948 1.00 1.00 H new ATOM 0 HG2 LYS A 18 2.799 7.885 -4.368 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.424 8.865 -3.056 1.00 1.00 H new ATOM 0 HD2 LYS A 18 5.043 6.915 -2.545 1.00 1.00 H new ATOM 0 HD3 LYS A 18 4.535 6.212 -4.068 1.00 1.00 H new ATOM 0 HE2 LYS A 18 6.562 7.505 -4.472 1.00 1.00 H new ATOM 0 HE3 LYS A 18 5.227 8.336 -5.245 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 6.854 9.658 -3.780 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 5.192 9.975 -3.642 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 5.974 9.022 -2.475 1.00 1.00 H new ATOM 268 N ALA A 19 0.128 9.451 -2.475 1.00 1.00 N ATOM 269 CA ALA A 19 -0.388 10.669 -3.075 1.00 1.00 C ATOM 270 C ALA A 19 -0.656 11.701 -1.976 1.00 1.00 C ATOM 271 O ALA A 19 -0.486 12.900 -2.182 1.00 1.00 O ATOM 272 CB ALA A 19 -1.642 10.346 -3.890 1.00 1.00 C ATOM 0 H ALA A 19 -0.530 8.672 -2.458 1.00 1.00 H new ATOM 0 HA ALA A 19 0.343 11.099 -3.759 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.029 11.260 -4.340 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.392 9.633 -4.675 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.400 9.915 -3.236 1.00 1.00 H new ATOM 278 N HIS A 20 -1.077 11.192 -0.817 1.00 1.00 N ATOM 279 CA HIS A 20 -1.384 12.019 0.344 1.00 1.00 C ATOM 280 C HIS A 20 -0.093 12.309 1.133 1.00 1.00 C ATOM 281 O HIS A 20 -0.149 12.576 2.332 1.00 1.00 O ATOM 282 CB HIS A 20 -2.485 11.333 1.166 1.00 1.00 C ATOM 283 CG HIS A 20 -3.907 11.523 0.689 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.392 10.905 -0.392 1.00 1.00 N ATOM 285 CD2 HIS A 20 -4.936 12.287 1.187 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.673 11.269 -0.561 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.059 12.121 0.386 1.00 1.00 N ATOM 0 H HIS A 20 -1.214 10.193 -0.660 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.775 12.992 0.048 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.275 10.264 1.191 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.419 11.695 2.192 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -3.874 10.262 -0.991 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -4.880 12.917 2.063 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.307 10.917 -1.361 1.00 1.00 H new ATOM 295 N GLN A 21 1.027 12.245 0.428 1.00 1.00 N ATOM 296 CA GLN A 21 2.316 12.497 1.049 1.00 1.00 C ATOM 297 C GLN A 21 2.847 13.871 0.631 1.00 1.00 C ATOM 298 O GLN A 21 3.949 14.257 1.015 1.00 1.00 O ATOM 299 CB GLN A 21 3.317 11.394 0.701 1.00 1.00 C ATOM 300 CG GLN A 21 3.852 10.720 1.967 1.00 1.00 C ATOM 301 CD GLN A 21 4.837 11.633 2.700 1.00 1.00 C ATOM 302 OE1 GLN A 21 5.153 12.727 2.262 1.00 1.00 O ATOM 303 NE2 GLN A 21 5.302 11.124 3.837 1.00 1.00 N ATOM 0 H GLN A 21 1.068 12.022 -0.567 1.00 1.00 H new ATOM 0 HA GLN A 21 2.183 12.494 2.131 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.838 10.651 0.064 1.00 1.00 H new ATOM 0 HB3 GLN A 21 4.145 11.816 0.131 1.00 1.00 H new ATOM 0 HG2 GLN A 21 3.022 10.469 2.628 1.00 1.00 H new ATOM 0 HG3 GLN A 21 4.345 9.784 1.704 1.00 1.00 H new ATOM 0 HE21 GLN A 21 4.996 10.201 4.146 1.00 1.00 H new ATOM 0 HE22 GLN A 21 5.965 11.656 4.401 1.00 1.00 H new ATOM 311 N LYS A 22 2.037 14.570 -0.150 1.00 1.00 N ATOM 312 CA LYS A 22 2.410 15.892 -0.624 1.00 1.00 C ATOM 313 C LYS A 22 1.146 16.689 -0.949 1.00 1.00 C ATOM 314 O LYS A 22 1.065 17.333 -1.994 1.00 1.00 O ATOM 315 CB LYS A 22 3.388 15.783 -1.797 1.00 1.00 C ATOM 316 CG LYS A 22 4.723 16.451 -1.460 1.00 1.00 C ATOM 317 CD LYS A 22 5.886 15.720 -2.136 1.00 1.00 C ATOM 318 CE LYS A 22 6.306 14.492 -1.326 1.00 1.00 C ATOM 319 NZ LYS A 22 7.777 14.455 -1.165 1.00 1.00 N ATOM 0 H LYS A 22 1.123 14.246 -0.467 1.00 1.00 H new ATOM 0 HA LYS A 22 2.940 16.441 0.154 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.553 14.734 -2.041 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.955 16.252 -2.681 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.705 17.492 -1.783 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.870 16.455 -0.380 1.00 1.00 H new ATOM 0 HD2 LYS A 22 5.594 15.415 -3.141 1.00 1.00 H new ATOM 0 HD3 LYS A 22 6.733 16.397 -2.242 1.00 1.00 H new ATOM 0 HE2 LYS A 22 5.828 14.514 -0.347 1.00 1.00 H new ATOM 0 HE3 LYS A 22 5.966 13.585 -1.827 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 8.045 13.615 -0.613 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 8.228 14.412 -2.101 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 8.093 15.312 -0.667 1.00 1.00 H new ATOM 332 N ALA A 23 0.189 16.619 -0.034 1.00 1.00 N ATOM 333 CA ALA A 23 -1.068 17.327 -0.211 1.00 1.00 C ATOM 334 C ALA A 23 -1.577 17.799 1.153 1.00 1.00 C ATOM 335 O ALA A 23 -2.753 18.127 1.300 1.00 1.00 O ATOM 336 CB ALA A 23 -2.070 16.417 -0.924 1.00 1.00 C ATOM 0 H ALA A 23 0.259 16.083 0.831 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.928 18.210 -0.835 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -3.013 16.948 -1.057 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.673 16.132 -1.899 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -2.239 15.522 -0.325 1.00 1.00 H new ATOM 391 N LYS A 28 1.233 15.473 9.578 1.00 1.00 N ATOM 392 CA LYS A 28 0.973 15.115 10.962 1.00 1.00 C ATOM 393 C LYS A 28 -0.447 15.546 11.337 1.00 1.00 C ATOM 394 O LYS A 28 -0.854 15.415 12.490 1.00 1.00 O ATOM 395 CB LYS A 28 2.053 15.691 11.879 1.00 1.00 C ATOM 396 CG LYS A 28 1.584 16.996 12.525 1.00 1.00 C ATOM 397 CD LYS A 28 2.775 17.835 12.993 1.00 1.00 C ATOM 398 CE LYS A 28 3.463 17.189 14.197 1.00 1.00 C ATOM 399 NZ LYS A 28 3.049 17.859 15.450 1.00 1.00 N ATOM 0 HA LYS A 28 1.024 14.034 11.091 1.00 1.00 H new ATOM 0 HB2 LYS A 28 2.302 14.966 12.654 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.963 15.871 11.307 1.00 1.00 H new ATOM 0 HG2 LYS A 28 0.991 17.567 11.811 1.00 1.00 H new ATOM 0 HG3 LYS A 28 0.936 16.774 13.373 1.00 1.00 H new ATOM 0 HD2 LYS A 28 3.490 17.945 12.177 1.00 1.00 H new ATOM 0 HD3 LYS A 28 2.437 18.837 13.258 1.00 1.00 H new ATOM 0 HE2 LYS A 28 3.210 16.130 14.243 1.00 1.00 H new ATOM 0 HE3 LYS A 28 4.545 17.254 14.083 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 3.525 17.409 16.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 3.312 18.864 15.409 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 2.019 17.775 15.564 1.00 1.00 H new ATOM 412 N LYS A 29 -1.160 16.052 10.342 1.00 1.00 N ATOM 413 CA LYS A 29 -2.524 16.503 10.553 1.00 1.00 C ATOM 414 C LYS A 29 -3.391 15.315 10.978 1.00 1.00 C ATOM 415 O LYS A 29 -4.228 15.442 11.871 1.00 1.00 O ATOM 416 CB LYS A 29 -3.047 17.230 9.312 1.00 1.00 C ATOM 417 CG LYS A 29 -4.513 17.631 9.487 1.00 1.00 C ATOM 418 CD LYS A 29 -4.638 19.119 9.819 1.00 1.00 C ATOM 419 CE LYS A 29 -4.962 19.935 8.566 1.00 1.00 C ATOM 420 NZ LYS A 29 -5.745 21.140 8.919 1.00 1.00 N ATOM 0 H LYS A 29 -0.818 16.160 9.387 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.561 17.232 11.362 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.443 18.118 9.125 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.944 16.586 8.439 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -5.066 17.411 8.574 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -4.964 17.038 10.283 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -5.420 19.265 10.564 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -3.707 19.476 10.260 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -4.038 20.228 8.067 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -5.524 19.322 7.861 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -5.956 21.682 8.057 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -6.635 20.854 9.375 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -5.195 21.732 9.574 1.00 1.00 H new ATOM 433 N CYS A 30 -3.158 14.189 10.322 1.00 1.00 N ATOM 434 CA CYS A 30 -3.905 12.979 10.621 1.00 1.00 C ATOM 435 C CYS A 30 -3.182 12.233 11.744 1.00 1.00 C ATOM 436 O CYS A 30 -3.741 12.012 12.817 1.00 1.00 O ATOM 437 CB CYS A 30 -4.087 12.104 9.379 1.00 1.00 C ATOM 438 SG CYS A 30 -3.989 13.134 7.869 1.00 1.00 S ATOM 0 H CYS A 30 -2.462 14.088 9.583 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.911 13.242 10.949 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -3.319 11.331 9.353 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -5.050 11.595 9.420 1.00 1.00 H new ATOM 0 HG CYS A 30 -4.142 12.382 6.820 1.00 1.00 H new ATOM 443 N HIS A 31 -1.934 11.859 11.459 1.00 1.00 N ATOM 444 CA HIS A 31 -1.090 11.137 12.405 1.00 1.00 C ATOM 445 C HIS A 31 -0.812 12.021 13.635 1.00 1.00 C ATOM 446 O HIS A 31 -1.282 11.720 14.731 1.00 1.00 O ATOM 447 CB HIS A 31 0.174 10.656 11.675 1.00 1.00 C ATOM 448 CG HIS A 31 -0.020 9.618 10.594 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.561 8.420 10.836 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.276 9.640 9.252 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.602 7.723 9.689 1.00 1.00 C ATOM 452 NE2 HIS A 31 -0.096 8.429 8.679 1.00 1.00 N ATOM 0 H HIS A 31 -1.482 12.049 10.565 1.00 1.00 H new ATOM 0 HA HIS A 31 -1.590 10.247 12.787 1.00 1.00 H new ATOM 0 HB2 HIS A 31 0.661 11.524 11.230 1.00 1.00 H new ATOM 0 HB3 HIS A 31 0.862 10.250 12.417 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -0.889 8.089 11.743 1.00 1.00 H new ATOM 0 HD2 HIS A 31 0.727 10.468 8.725 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -0.994 6.721 9.597 1.00 1.00 H new ATOM 460 N GLU A 32 -0.056 13.086 13.409 1.00 1.00 N ATOM 461 CA GLU A 32 0.281 14.005 14.482 1.00 1.00 C ATOM 462 C GLU A 32 1.369 13.403 15.374 1.00 1.00 C ATOM 463 O GLU A 32 1.295 13.497 16.598 1.00 1.00 O ATOM 464 CB GLU A 32 -0.958 14.370 15.301 1.00 1.00 C ATOM 465 CG GLU A 32 -0.902 15.829 15.761 1.00 1.00 C ATOM 466 CD GLU A 32 -2.215 16.246 16.426 1.00 1.00 C ATOM 467 OE1 GLU A 32 -3.289 16.096 15.824 1.00 1.00 O ATOM 468 OE2 GLU A 32 -2.093 16.741 17.611 1.00 1.00 O ATOM 0 H GLU A 32 0.332 13.332 12.499 1.00 1.00 H new ATOM 0 HA GLU A 32 0.667 14.923 14.039 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -1.854 14.208 14.703 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.031 13.714 16.169 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -0.078 15.962 16.462 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.702 16.476 14.907 1.00 1.00 H new ATOM 476 N LYS A 33 2.354 12.799 14.725 1.00 1.00 N ATOM 477 CA LYS A 33 3.455 12.182 15.444 1.00 1.00 C ATOM 478 C LYS A 33 3.079 10.745 15.810 1.00 1.00 C ATOM 479 O LYS A 33 2.622 10.483 16.922 1.00 1.00 O ATOM 480 CB LYS A 33 3.856 13.037 16.646 1.00 1.00 C ATOM 481 CG LYS A 33 5.379 13.154 16.752 1.00 1.00 C ATOM 482 CD LYS A 33 5.800 13.570 18.163 1.00 1.00 C ATOM 483 CE LYS A 33 5.775 15.091 18.318 1.00 1.00 C ATOM 484 NZ LYS A 33 7.144 15.646 18.225 1.00 1.00 N ATOM 0 H LYS A 33 2.412 12.724 13.709 1.00 1.00 H new ATOM 0 HA LYS A 33 4.340 12.129 14.810 1.00 1.00 H new ATOM 0 HB2 LYS A 33 3.417 14.030 16.553 1.00 1.00 H new ATOM 0 HB3 LYS A 33 3.457 12.596 17.560 1.00 1.00 H new ATOM 0 HG2 LYS A 33 5.839 12.199 16.498 1.00 1.00 H new ATOM 0 HG3 LYS A 33 5.742 13.885 16.030 1.00 1.00 H new ATOM 0 HD2 LYS A 33 5.132 13.116 18.894 1.00 1.00 H new ATOM 0 HD3 LYS A 33 6.802 13.196 18.372 1.00 1.00 H new ATOM 0 HE2 LYS A 33 5.145 15.531 17.545 1.00 1.00 H new ATOM 0 HE3 LYS A 33 5.333 15.357 19.278 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 7.108 16.680 18.332 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 7.735 15.240 18.978 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 7.553 15.408 17.299 1.00 1.00 H new ATOM 497 N GLY A 34 3.284 9.850 14.854 1.00 1.00 N ATOM 498 CA GLY A 34 2.971 8.447 15.063 1.00 1.00 C ATOM 499 C GLY A 34 2.557 7.777 13.751 1.00 1.00 C ATOM 500 O GLY A 34 1.417 7.359 13.563 1.00 1.00 O ATOM 0 H GLY A 34 3.663 10.070 13.933 1.00 1.00 H new ATOM 0 HA2 GLY A 34 3.839 7.935 15.479 1.00 1.00 H new ATOM 0 HA3 GLY A 34 2.166 8.355 15.792 1.00 1.00 H new ATOM 504 N PRO A 35 3.525 7.683 12.836 1.00 1.00 N ATOM 505 CA PRO A 35 3.356 7.085 11.529 1.00 1.00 C ATOM 506 C PRO A 35 2.678 5.730 11.671 1.00 1.00 C ATOM 507 O PRO A 35 1.688 5.486 10.981 1.00 1.00 O ATOM 508 CB PRO A 35 4.774 6.932 10.982 1.00 1.00 C ATOM 509 CG PRO A 35 5.753 7.198 12.229 1.00 1.00 C ATOM 510 CD PRO A 35 4.877 8.163 13.024 1.00 1.00 C ATOM 0 HA PRO A 35 2.733 7.685 10.866 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.929 5.935 10.569 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.962 7.643 10.178 1.00 1.00 H new ATOM 0 HG2 PRO A 35 5.986 6.288 12.782 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.703 7.641 11.931 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.151 8.167 14.079 1.00 1.00 H new ATOM 0 HD3 PRO A 35 4.987 9.185 12.662 1.00 1.00 H new ATOM 518 N GLY A 36 3.210 4.888 12.544 1.00 1.00 N ATOM 519 CA GLY A 36 2.639 3.568 12.754 1.00 1.00 C ATOM 520 C GLY A 36 1.112 3.633 12.809 1.00 1.00 C ATOM 521 O GLY A 36 0.535 4.718 12.867 1.00 1.00 O ATOM 0 H GLY A 36 4.030 5.094 13.114 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.949 2.902 11.949 1.00 1.00 H new ATOM 0 HA3 GLY A 36 3.022 3.146 13.683 1.00 1.00 H new ATOM 525 N LYS A 37 0.500 2.458 12.787 1.00 1.00 N ATOM 526 CA LYS A 37 -0.949 2.367 12.832 1.00 1.00 C ATOM 527 C LYS A 37 -1.498 3.499 13.703 1.00 1.00 C ATOM 528 O LYS A 37 -0.913 3.837 14.732 1.00 1.00 O ATOM 529 CB LYS A 37 -1.385 0.974 13.287 1.00 1.00 C ATOM 530 CG LYS A 37 -0.623 0.543 14.543 1.00 1.00 C ATOM 531 CD LYS A 37 0.651 -0.220 14.175 1.00 1.00 C ATOM 532 CE LYS A 37 0.710 -1.569 14.896 1.00 1.00 C ATOM 533 NZ LYS A 37 0.343 -2.665 13.973 1.00 1.00 N ATOM 0 H LYS A 37 0.982 1.560 12.739 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.371 2.497 11.835 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -2.456 0.972 13.489 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -1.210 0.255 12.487 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -0.367 1.421 15.137 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.262 -0.086 15.163 1.00 1.00 H new ATOM 0 HD2 LYS A 37 0.686 -0.378 13.097 1.00 1.00 H new ATOM 0 HD3 LYS A 37 1.525 0.376 14.438 1.00 1.00 H new ATOM 0 HE2 LYS A 37 1.714 -1.736 15.287 1.00 1.00 H new ATOM 0 HE3 LYS A 37 0.032 -1.562 15.750 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 0.388 -3.573 14.477 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -0.623 -2.513 13.620 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 1.006 -2.681 13.172 1.00 1.00 H new ATOM 546 N ILE A 38 -2.618 4.054 13.262 1.00 1.00 N ATOM 547 CA ILE A 38 -3.253 5.139 13.989 1.00 1.00 C ATOM 548 C ILE A 38 -4.007 4.569 15.191 1.00 1.00 C ATOM 549 O ILE A 38 -4.654 3.528 15.086 1.00 1.00 O ATOM 550 CB ILE A 38 -4.129 5.972 13.050 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.287 6.977 12.261 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.263 6.653 13.820 1.00 1.00 C ATOM 553 CD1 ILE A 38 -4.175 8.014 11.570 1.00 1.00 C ATOM 0 H ILE A 38 -3.102 3.772 12.410 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.503 5.826 14.381 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.589 5.300 12.326 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.590 7.479 12.932 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -2.689 6.451 11.517 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -5.871 7.239 13.130 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.884 5.896 14.298 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.843 7.310 14.581 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.551 8.716 11.016 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -4.854 7.511 10.882 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.753 8.555 12.319 1.00 1.00 H new ATOM 560 N GLU A 39 -3.902 5.277 16.306 1.00 1.00 N ATOM 561 CA GLU A 39 -4.566 4.854 17.527 1.00 1.00 C ATOM 562 C GLU A 39 -5.950 4.286 17.208 1.00 1.00 C ATOM 563 O GLU A 39 -6.924 5.030 17.111 1.00 1.00 O ATOM 564 CB GLU A 39 -4.664 6.011 18.525 1.00 1.00 C ATOM 565 CG GLU A 39 -4.076 5.615 19.881 1.00 1.00 C ATOM 566 CD GLU A 39 -5.181 5.238 20.870 1.00 1.00 C ATOM 567 OE1 GLU A 39 -5.964 4.314 20.602 1.00 1.00 O ATOM 568 OE2 GLU A 39 -5.210 5.941 21.950 1.00 1.00 O ATOM 0 H GLU A 39 -3.367 6.141 16.389 1.00 1.00 H new ATOM 0 HA GLU A 39 -3.970 4.067 17.990 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -4.134 6.879 18.134 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -5.707 6.303 18.648 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -3.395 4.774 19.754 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -3.490 6.442 20.283 1.00 1.00 H new ATOM 576 N GLY A 40 -5.993 2.971 17.054 1.00 1.00 N ATOM 577 CA GLY A 40 -7.241 2.294 16.749 1.00 1.00 C ATOM 578 C GLY A 40 -8.165 3.191 15.923 1.00 1.00 C ATOM 579 O GLY A 40 -8.928 3.980 16.478 1.00 1.00 O ATOM 0 H GLY A 40 -5.183 2.356 17.135 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.035 1.375 16.200 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -7.739 2.008 17.675 1.00 1.00 H new ATOM 583 N PHE A 41 -8.065 3.042 14.610 1.00 1.00 N ATOM 584 CA PHE A 41 -8.881 3.830 13.703 1.00 1.00 C ATOM 585 C PHE A 41 -10.339 3.862 14.165 1.00 1.00 C ATOM 586 O PHE A 41 -10.750 3.051 14.993 1.00 1.00 O ATOM 587 CB PHE A 41 -8.809 3.152 12.333 1.00 1.00 C ATOM 588 CG PHE A 41 -9.429 3.971 11.200 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.778 3.974 11.023 1.00 1.00 C ATOM 590 CD2 PHE A 41 -8.632 4.694 10.369 1.00 1.00 C ATOM 591 CE1 PHE A 41 -11.354 4.734 9.971 1.00 1.00 C ATOM 592 CE2 PHE A 41 -9.209 5.455 9.316 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.557 5.459 9.141 1.00 1.00 C ATOM 0 H PHE A 41 -7.431 2.387 14.153 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.515 4.856 13.670 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.765 2.951 12.093 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -9.314 2.188 12.389 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -11.411 3.398 11.683 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.561 4.690 10.509 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.425 4.736 9.830 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -8.577 6.030 8.655 1.00 1.00 H new ATOM 0 HZ PHE A 41 -10.996 6.038 8.342 1.00 1.00 H new ATOM 603 N GLY A 42 -11.081 4.811 13.612 1.00 1.00 N ATOM 604 CA GLY A 42 -12.484 4.959 13.957 1.00 1.00 C ATOM 605 C GLY A 42 -13.324 5.267 12.716 1.00 1.00 C ATOM 606 O GLY A 42 -12.821 5.828 11.744 1.00 1.00 O ATOM 0 H GLY A 42 -10.736 5.484 12.928 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.845 4.044 14.427 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.600 5.760 14.687 1.00 1.00 H new ATOM 610 N LYS A 43 -14.592 4.887 12.789 1.00 1.00 N ATOM 611 CA LYS A 43 -15.506 5.114 11.684 1.00 1.00 C ATOM 612 C LYS A 43 -15.805 6.610 11.574 1.00 1.00 C ATOM 613 O LYS A 43 -15.305 7.282 10.674 1.00 1.00 O ATOM 614 CB LYS A 43 -16.758 4.247 11.837 1.00 1.00 C ATOM 615 CG LYS A 43 -17.854 4.688 10.865 1.00 1.00 C ATOM 616 CD LYS A 43 -17.566 4.186 9.449 1.00 1.00 C ATOM 617 CE LYS A 43 -16.617 5.134 8.713 1.00 1.00 C ATOM 618 NZ LYS A 43 -17.378 6.063 7.850 1.00 1.00 N ATOM 0 H LYS A 43 -15.007 4.423 13.597 1.00 1.00 H new ATOM 0 HA LYS A 43 -15.048 4.810 10.743 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -16.505 3.202 11.656 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.127 4.313 12.861 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -18.818 4.306 11.201 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -17.926 5.776 10.861 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -17.127 3.190 9.495 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -18.500 4.097 8.894 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -16.027 5.699 9.434 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -15.916 4.559 8.108 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -16.862 6.962 7.768 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -17.495 5.643 6.906 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -18.314 6.238 8.269 1.00 1.00 H new ATOM 631 N GLU A 44 -16.620 7.088 12.503 1.00 1.00 N ATOM 632 CA GLU A 44 -16.991 8.493 12.523 1.00 1.00 C ATOM 633 C GLU A 44 -15.798 9.363 12.123 1.00 1.00 C ATOM 634 O GLU A 44 -15.949 10.318 11.363 1.00 1.00 O ATOM 635 CB GLU A 44 -17.530 8.899 13.897 1.00 1.00 C ATOM 636 CG GLU A 44 -16.386 9.177 14.873 1.00 1.00 C ATOM 637 CD GLU A 44 -15.653 7.885 15.242 1.00 1.00 C ATOM 638 OE1 GLU A 44 -16.284 6.824 15.349 1.00 1.00 O ATOM 639 OE2 GLU A 44 -14.382 8.011 15.419 1.00 1.00 O ATOM 0 H GLU A 44 -17.034 6.527 13.248 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.789 8.648 11.796 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.154 9.788 13.799 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -18.165 8.106 14.292 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -15.685 9.882 14.426 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -16.779 9.647 15.775 1.00 1.00 H new ATOM 647 N MET A 45 -14.639 9.000 12.652 1.00 1.00 N ATOM 648 CA MET A 45 -13.420 9.736 12.360 1.00 1.00 C ATOM 649 C MET A 45 -13.207 9.866 10.851 1.00 1.00 C ATOM 650 O MET A 45 -12.771 10.910 10.368 1.00 1.00 O ATOM 651 CB MET A 45 -12.226 9.014 12.985 1.00 1.00 C ATOM 652 CG MET A 45 -11.490 9.924 13.972 1.00 1.00 C ATOM 653 SD MET A 45 -11.939 9.497 15.646 1.00 1.00 S ATOM 654 CE MET A 45 -12.061 11.129 16.360 1.00 1.00 C ATOM 0 H MET A 45 -14.518 8.206 13.281 1.00 1.00 H new ATOM 0 HA MET A 45 -13.511 10.737 12.782 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.568 8.116 13.499 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.540 8.692 12.201 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.413 9.823 13.839 1.00 1.00 H new ATOM 0 HG3 MET A 45 -11.740 10.966 13.774 1.00 1.00 H new ATOM 0 HE1 MET A 45 -12.336 11.046 17.412 1.00 1.00 H new ATOM 0 HE2 MET A 45 -11.100 11.636 16.275 1.00 1.00 H new ATOM 0 HE3 MET A 45 -12.822 11.702 15.830 1.00 1.00 H new ATOM 664 N ALA A 46 -13.523 8.789 10.146 1.00 1.00 N ATOM 665 CA ALA A 46 -13.371 8.768 8.701 1.00 1.00 C ATOM 666 C ALA A 46 -14.164 9.927 8.093 1.00 1.00 C ATOM 667 O ALA A 46 -13.590 10.869 7.554 1.00 1.00 O ATOM 668 CB ALA A 46 -13.817 7.409 8.160 1.00 1.00 C ATOM 0 H ALA A 46 -13.884 7.924 10.549 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.326 8.902 8.423 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.703 7.394 7.076 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.204 6.623 8.601 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.863 7.240 8.417 1.00 1.00 H new ATOM 674 N HIS A 47 -15.489 9.820 8.199 1.00 1.00 N ATOM 675 CA HIS A 47 -16.409 10.826 7.680 1.00 1.00 C ATOM 676 C HIS A 47 -16.136 12.181 8.358 1.00 1.00 C ATOM 677 O HIS A 47 -16.617 13.213 7.893 1.00 1.00 O ATOM 678 CB HIS A 47 -17.848 10.314 7.845 1.00 1.00 C ATOM 679 CG HIS A 47 -18.208 9.047 7.106 1.00 1.00 C ATOM 680 ND1 HIS A 47 -19.257 8.290 7.444 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.618 8.426 6.031 1.00 1.00 C ATOM 682 CE1 HIS A 47 -19.318 7.238 6.611 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.330 7.274 5.719 1.00 1.00 N ATOM 0 H HIS A 47 -15.953 9.031 8.649 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.257 10.995 6.614 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.031 10.152 8.907 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.528 11.102 7.521 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -16.739 8.778 5.511 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -20.070 6.464 6.659 1.00 1.00 H new ATOM 0 HE2 HIS A 47 -18.138 6.605 4.973 1.00 1.00 H new ATOM 691 N GLY A 48 -15.370 12.130 9.438 1.00 1.00 N ATOM 692 CA GLY A 48 -15.034 13.336 10.174 1.00 1.00 C ATOM 693 C GLY A 48 -13.803 14.020 9.573 1.00 1.00 C ATOM 694 O GLY A 48 -13.578 13.949 8.366 1.00 1.00 O ATOM 0 H GLY A 48 -14.973 11.272 9.821 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -15.880 14.023 10.159 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.843 13.088 11.218 1.00 1.00 H new ATOM 698 N LYS A 49 -13.041 14.666 10.443 1.00 1.00 N ATOM 699 CA LYS A 49 -11.840 15.360 10.013 1.00 1.00 C ATOM 700 C LYS A 49 -10.673 14.371 9.962 1.00 1.00 C ATOM 701 O LYS A 49 -9.597 14.648 10.488 1.00 1.00 O ATOM 702 CB LYS A 49 -11.576 16.576 10.905 1.00 1.00 C ATOM 703 CG LYS A 49 -11.852 17.878 10.153 1.00 1.00 C ATOM 704 CD LYS A 49 -13.220 18.451 10.532 1.00 1.00 C ATOM 705 CE LYS A 49 -13.072 19.655 11.463 1.00 1.00 C ATOM 706 NZ LYS A 49 -12.323 19.278 12.683 1.00 1.00 N ATOM 0 H LYS A 49 -13.232 14.723 11.443 1.00 1.00 H new ATOM 0 HA LYS A 49 -11.969 15.753 9.005 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.207 16.524 11.793 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -10.541 16.562 11.248 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -11.073 18.606 10.381 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -11.815 17.697 9.079 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -13.756 18.748 9.631 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -13.818 17.681 11.020 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -12.553 20.461 10.945 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -14.057 20.034 11.736 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -12.446 20.014 13.407 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -12.683 18.372 13.045 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -11.313 19.183 12.455 1.00 1.00 H new ATOM 719 N GLY A 50 -10.928 13.240 9.322 1.00 1.00 N ATOM 720 CA GLY A 50 -9.912 12.207 9.195 1.00 1.00 C ATOM 721 C GLY A 50 -10.062 11.453 7.872 1.00 1.00 C ATOM 722 O GLY A 50 -9.535 10.351 7.719 1.00 1.00 O ATOM 0 H GLY A 50 -11.822 13.015 8.886 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.921 12.657 9.251 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.992 11.508 10.028 1.00 1.00 H new ATOM 726 N CYS A 51 -10.779 12.076 6.949 1.00 1.00 N ATOM 727 CA CYS A 51 -11.004 11.477 5.645 1.00 1.00 C ATOM 728 C CYS A 51 -11.762 12.484 4.778 1.00 1.00 C ATOM 729 O CYS A 51 -11.186 13.089 3.875 1.00 1.00 O ATOM 730 CB CYS A 51 -11.747 10.144 5.755 1.00 1.00 C ATOM 731 SG CYS A 51 -11.219 8.870 4.551 1.00 1.00 S ATOM 0 H CYS A 51 -11.212 12.990 7.079 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.047 11.246 5.178 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.611 9.750 6.762 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.814 10.327 5.625 1.00 1.00 H new ATOM 0 HG CYS A 51 -11.911 7.785 4.736 1.00 1.00 H new ATOM 736 N LYS A 52 -13.043 12.632 5.082 1.00 1.00 N ATOM 737 CA LYS A 52 -13.887 13.555 4.343 1.00 1.00 C ATOM 738 C LYS A 52 -13.747 14.957 4.939 1.00 1.00 C ATOM 739 O LYS A 52 -13.441 15.911 4.226 1.00 1.00 O ATOM 740 CB LYS A 52 -15.329 13.046 4.299 1.00 1.00 C ATOM 741 CG LYS A 52 -16.183 13.900 3.360 1.00 1.00 C ATOM 742 CD LYS A 52 -17.484 13.180 2.996 1.00 1.00 C ATOM 743 CE LYS A 52 -18.667 13.757 3.776 1.00 1.00 C ATOM 744 NZ LYS A 52 -19.944 13.399 3.121 1.00 1.00 N ATOM 0 H LYS A 52 -13.517 12.127 5.831 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.564 13.617 3.304 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.342 12.008 3.966 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.756 13.064 5.302 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -16.412 14.853 3.836 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -15.621 14.124 2.453 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -17.669 13.274 1.926 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -17.387 12.116 3.210 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -18.657 13.377 4.798 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.575 14.841 3.838 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -20.736 13.799 3.663 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -19.958 13.783 2.154 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -20.037 12.364 3.084 1.00 1.00 H new ATOM 757 N GLY A 53 -13.978 15.037 6.241 1.00 1.00 N ATOM 758 CA GLY A 53 -13.882 16.307 6.942 1.00 1.00 C ATOM 759 C GLY A 53 -12.794 17.191 6.328 1.00 1.00 C ATOM 760 O GLY A 53 -13.005 18.383 6.116 1.00 1.00 O ATOM 0 H GLY A 53 -14.231 14.243 6.829 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -14.841 16.823 6.900 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.661 16.130 7.994 1.00 1.00 H new ATOM 764 N CYS A 54 -11.654 16.571 6.060 1.00 1.00 N ATOM 765 CA CYS A 54 -10.533 17.286 5.475 1.00 1.00 C ATOM 766 C CYS A 54 -11.012 17.958 4.186 1.00 1.00 C ATOM 767 O CYS A 54 -11.211 19.171 4.144 1.00 1.00 O ATOM 768 CB CYS A 54 -9.339 16.362 5.227 1.00 1.00 C ATOM 769 SG CYS A 54 -7.835 17.062 5.998 1.00 1.00 S ATOM 0 H CYS A 54 -11.483 15.581 6.237 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.181 18.047 6.172 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.542 15.373 5.639 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.183 16.235 4.156 1.00 1.00 H new ATOM 0 HG CYS A 54 -7.338 17.981 5.224 1.00 1.00 H new ATOM 774 N HIS A 55 -11.187 17.135 3.153 1.00 1.00 N ATOM 775 CA HIS A 55 -11.639 17.593 1.844 1.00 1.00 C ATOM 776 C HIS A 55 -12.666 18.726 2.015 1.00 1.00 C ATOM 777 O HIS A 55 -12.567 19.755 1.348 1.00 1.00 O ATOM 778 CB HIS A 55 -12.156 16.386 1.047 1.00 1.00 C ATOM 779 CG HIS A 55 -11.267 15.164 1.008 1.00 1.00 C ATOM 780 ND1 HIS A 55 -11.730 13.930 1.220 1.00 1.00 N ATOM 781 CD2 HIS A 55 -9.919 15.032 0.772 1.00 1.00 C ATOM 782 CE1 HIS A 55 -10.712 13.061 1.121 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.571 13.689 0.846 1.00 1.00 N ATOM 0 H HIS A 55 -11.018 16.130 3.202 1.00 1.00 H new ATOM 0 HA HIS A 55 -10.820 18.022 1.266 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.120 16.092 1.463 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.336 16.708 0.021 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.238 15.844 0.562 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -10.806 11.993 1.248 1.00 1.00 H new ATOM 0 HE2 HIS A 55 -8.647 13.276 0.718 1.00 1.00 H new ATOM 791 N GLU A 56 -13.619 18.498 2.906 1.00 1.00 N ATOM 792 CA GLU A 56 -14.653 19.487 3.166 1.00 1.00 C ATOM 793 C GLU A 56 -14.021 20.852 3.448 1.00 1.00 C ATOM 794 O GLU A 56 -14.478 21.868 2.929 1.00 1.00 O ATOM 795 CB GLU A 56 -15.550 19.047 4.324 1.00 1.00 C ATOM 796 CG GLU A 56 -16.330 20.235 4.894 1.00 1.00 C ATOM 797 CD GLU A 56 -17.279 19.784 6.006 1.00 1.00 C ATOM 798 OE1 GLU A 56 -17.831 18.677 5.940 1.00 1.00 O ATOM 799 OE2 GLU A 56 -17.433 20.632 6.967 1.00 1.00 O ATOM 0 H GLU A 56 -13.698 17.643 3.457 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.279 19.575 2.278 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.246 18.282 3.980 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -14.943 18.596 5.109 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -15.634 20.978 5.284 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -16.899 20.717 4.099 1.00 1.00 H new ATOM 807 N GLU A 57 -12.982 20.830 4.270 1.00 1.00 N ATOM 808 CA GLU A 57 -12.285 22.053 4.627 1.00 1.00 C ATOM 809 C GLU A 57 -11.170 22.342 3.620 1.00 1.00 C ATOM 810 O GLU A 57 -11.045 23.463 3.130 1.00 1.00 O ATOM 811 CB GLU A 57 -11.731 21.973 6.051 1.00 1.00 C ATOM 812 CG GLU A 57 -11.599 23.368 6.667 1.00 1.00 C ATOM 813 CD GLU A 57 -12.832 23.717 7.503 1.00 1.00 C ATOM 814 OE1 GLU A 57 -13.201 22.955 8.409 1.00 1.00 O ATOM 815 OE2 GLU A 57 -13.412 24.823 7.184 1.00 1.00 O ATOM 0 H GLU A 57 -12.606 19.984 4.699 1.00 1.00 H new ATOM 0 HA GLU A 57 -12.998 22.877 4.596 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -12.389 21.360 6.667 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.757 21.483 6.039 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -10.707 23.410 7.292 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -11.470 24.108 5.877 1.00 1.00 H new ATOM 823 N MET A 58 -10.387 21.309 3.340 1.00 1.00 N ATOM 824 CA MET A 58 -9.287 21.437 2.400 1.00 1.00 C ATOM 825 C MET A 58 -9.777 21.968 1.052 1.00 1.00 C ATOM 826 O MET A 58 -8.986 22.471 0.254 1.00 1.00 O ATOM 827 CB MET A 58 -8.623 20.073 2.202 1.00 1.00 C ATOM 828 CG MET A 58 -7.103 20.213 2.099 1.00 1.00 C ATOM 829 SD MET A 58 -6.347 19.829 3.670 1.00 1.00 S ATOM 830 CE MET A 58 -4.643 19.674 3.165 1.00 1.00 C ATOM 0 H MET A 58 -10.493 20.380 3.748 1.00 1.00 H new ATOM 0 HA MET A 58 -8.566 22.146 2.807 1.00 1.00 H new ATOM 0 HB2 MET A 58 -8.876 19.417 3.035 1.00 1.00 H new ATOM 0 HB3 MET A 58 -9.011 19.604 1.298 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.719 19.544 1.328 1.00 1.00 H new ATOM 0 HG3 MET A 58 -6.842 21.228 1.799 1.00 1.00 H new ATOM 0 HE1 MET A 58 -4.296 18.660 3.362 1.00 1.00 H new ATOM 0 HE2 MET A 58 -4.559 19.886 2.099 1.00 1.00 H new ATOM 0 HE3 MET A 58 -4.032 20.382 3.725 1.00 1.00 H new ATOM 840 N LYS A 59 -11.077 21.837 0.837 1.00 1.00 N ATOM 841 CA LYS A 59 -11.682 22.296 -0.402 1.00 1.00 C ATOM 842 C LYS A 59 -11.072 21.529 -1.577 1.00 1.00 C ATOM 843 O LYS A 59 -11.243 21.917 -2.732 1.00 1.00 O ATOM 844 CB LYS A 59 -11.556 23.815 -0.528 1.00 1.00 C ATOM 845 CG LYS A 59 -12.486 24.355 -1.617 1.00 1.00 C ATOM 846 CD LYS A 59 -13.818 24.816 -1.022 1.00 1.00 C ATOM 847 CE LYS A 59 -14.930 24.776 -2.070 1.00 1.00 C ATOM 848 NZ LYS A 59 -16.254 24.649 -1.419 1.00 1.00 N ATOM 0 H LYS A 59 -11.729 21.419 1.500 1.00 1.00 H new ATOM 0 HA LYS A 59 -12.752 22.086 -0.405 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -11.797 24.284 0.426 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -10.525 24.080 -0.762 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -12.005 25.188 -2.130 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -12.666 23.581 -2.363 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -14.084 24.178 -0.180 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -13.716 25.829 -0.634 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -14.901 25.683 -2.674 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -14.769 23.937 -2.747 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -16.997 24.623 -2.146 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -16.284 23.771 -0.862 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -16.412 25.463 -0.791 1.00 1.00 H new ATOM 861 N LYS A 60 -10.375 20.454 -1.243 1.00 1.00 N ATOM 862 CA LYS A 60 -9.739 19.629 -2.256 1.00 1.00 C ATOM 863 C LYS A 60 -9.973 18.153 -1.926 1.00 1.00 C ATOM 864 O LYS A 60 -9.759 17.724 -0.794 1.00 1.00 O ATOM 865 CB LYS A 60 -8.262 20.000 -2.399 1.00 1.00 C ATOM 866 CG LYS A 60 -7.598 20.150 -1.029 1.00 1.00 C ATOM 867 CD LYS A 60 -6.432 21.137 -1.090 1.00 1.00 C ATOM 868 CE LYS A 60 -5.535 20.854 -2.296 1.00 1.00 C ATOM 869 NZ LYS A 60 -6.025 21.579 -3.490 1.00 1.00 N ATOM 0 H LYS A 60 -10.236 20.135 -0.284 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.186 19.813 -3.233 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.745 19.233 -2.975 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.170 20.933 -2.955 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.332 20.494 -0.301 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.240 19.179 -0.686 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.816 22.155 -1.149 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.846 21.070 -0.173 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -4.512 21.157 -2.074 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.514 19.783 -2.497 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -6.461 20.905 -4.151 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.731 22.286 -3.201 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -5.228 22.056 -3.958 1.00 1.00 H new ATOM 882 N GLY A 61 -10.410 17.417 -2.938 1.00 1.00 N ATOM 883 CA GLY A 61 -10.676 15.998 -2.770 1.00 1.00 C ATOM 884 C GLY A 61 -12.149 15.680 -3.039 1.00 1.00 C ATOM 885 O GLY A 61 -12.996 16.563 -3.154 1.00 1.00 O ATOM 0 H GLY A 61 -10.586 17.776 -3.876 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.046 15.423 -3.449 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.413 15.693 -1.757 1.00 1.00 H new ATOM 889 N PRO A 62 -12.436 14.380 -3.139 1.00 1.00 N ATOM 890 CA PRO A 62 -13.761 13.854 -3.390 1.00 1.00 C ATOM 891 C PRO A 62 -14.483 13.640 -2.067 1.00 1.00 C ATOM 892 O PRO A 62 -13.842 13.233 -1.100 1.00 1.00 O ATOM 893 CB PRO A 62 -13.527 12.527 -4.107 1.00 1.00 C ATOM 894 CG PRO A 62 -12.183 12.063 -3.503 1.00 1.00 C ATOM 895 CD PRO A 62 -11.465 13.317 -3.011 1.00 1.00 C ATOM 0 HA PRO A 62 -14.379 14.526 -3.985 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.328 11.813 -3.914 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -13.466 12.653 -5.188 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -12.348 11.365 -2.682 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.583 11.542 -4.249 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.138 13.204 -1.977 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.575 13.522 -3.607 1.00 1.00 H new ATOM 903 N THR A 63 -15.779 13.914 -2.046 1.00 1.00 N ATOM 904 CA THR A 63 -16.561 13.745 -0.834 1.00 1.00 C ATOM 905 C THR A 63 -17.678 12.725 -1.057 1.00 1.00 C ATOM 906 O THR A 63 -18.233 12.186 -0.100 1.00 1.00 O ATOM 907 CB THR A 63 -17.072 15.122 -0.405 1.00 1.00 C ATOM 908 OG1 THR A 63 -17.913 15.530 -1.481 1.00 1.00 O ATOM 909 CG2 THR A 63 -15.964 16.176 -0.377 1.00 1.00 C ATOM 0 H THR A 63 -16.307 14.252 -2.850 1.00 1.00 H new ATOM 0 HA THR A 63 -15.953 13.341 -0.025 1.00 1.00 H new ATOM 0 HB THR A 63 -17.527 15.049 0.583 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.289 16.414 -1.285 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.381 17.134 -0.066 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.190 15.872 0.327 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.530 16.275 -1.372 1.00 1.00 H new ATOM 915 N LYS A 64 -17.975 12.487 -2.327 1.00 1.00 N ATOM 916 CA LYS A 64 -19.016 11.541 -2.688 1.00 1.00 C ATOM 917 C LYS A 64 -18.633 10.150 -2.180 1.00 1.00 C ATOM 918 O LYS A 64 -17.452 9.854 -2.000 1.00 1.00 O ATOM 919 CB LYS A 64 -19.288 11.593 -4.193 1.00 1.00 C ATOM 920 CG LYS A 64 -19.978 12.903 -4.581 1.00 1.00 C ATOM 921 CD LYS A 64 -19.189 13.637 -5.667 1.00 1.00 C ATOM 922 CE LYS A 64 -18.967 15.102 -5.287 1.00 1.00 C ATOM 923 NZ LYS A 64 -17.817 15.662 -6.033 1.00 1.00 N ATOM 0 H LYS A 64 -17.512 12.934 -3.118 1.00 1.00 H new ATOM 0 HA LYS A 64 -19.957 11.808 -2.208 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.350 11.496 -4.739 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -19.914 10.749 -4.482 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -20.987 12.695 -4.937 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.075 13.541 -3.703 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -18.227 13.147 -5.817 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -19.727 13.580 -6.613 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -19.865 15.680 -5.504 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -18.787 15.183 -4.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -17.680 16.657 -5.764 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -16.959 15.120 -5.806 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -18.004 15.603 -7.054 1.00 1.00 H new ATOM 936 N CYS A 65 -19.652 9.332 -1.964 1.00 1.00 N ATOM 937 CA CYS A 65 -19.437 7.979 -1.481 1.00 1.00 C ATOM 938 C CYS A 65 -18.784 7.166 -2.601 1.00 1.00 C ATOM 939 O CYS A 65 -17.660 6.690 -2.453 1.00 1.00 O ATOM 940 CB CYS A 65 -20.739 7.338 -0.995 1.00 1.00 C ATOM 941 SG CYS A 65 -22.046 8.525 -0.515 1.00 1.00 S ATOM 0 H CYS A 65 -20.630 9.580 -2.115 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.774 8.001 -0.616 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.126 6.692 -1.783 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.516 6.699 -0.140 1.00 1.00 H new ATOM 0 HG CYS A 65 -22.456 9.168 -1.568 1.00 1.00 H new ATOM 946 N GLY A 66 -19.518 7.034 -3.696 1.00 1.00 N ATOM 947 CA GLY A 66 -19.024 6.287 -4.842 1.00 1.00 C ATOM 948 C GLY A 66 -17.555 6.617 -5.119 1.00 1.00 C ATOM 949 O GLY A 66 -16.837 5.815 -5.714 1.00 1.00 O ATOM 0 H GLY A 66 -20.450 7.431 -3.815 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.132 5.218 -4.658 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.625 6.522 -5.720 1.00 1.00 H new ATOM 953 N GLU A 67 -17.153 7.798 -4.675 1.00 1.00 N ATOM 954 CA GLU A 67 -15.783 8.244 -4.868 1.00 1.00 C ATOM 955 C GLU A 67 -14.848 7.521 -3.896 1.00 1.00 C ATOM 956 O GLU A 67 -13.752 7.110 -4.274 1.00 1.00 O ATOM 957 CB GLU A 67 -15.672 9.762 -4.710 1.00 1.00 C ATOM 958 CG GLU A 67 -16.433 10.487 -5.822 1.00 1.00 C ATOM 959 CD GLU A 67 -15.695 10.368 -7.157 1.00 1.00 C ATOM 960 OE1 GLU A 67 -14.811 9.511 -7.303 1.00 1.00 O ATOM 961 OE2 GLU A 67 -16.071 11.204 -8.064 1.00 1.00 O ATOM 0 H GLU A 67 -17.752 8.460 -4.182 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.481 7.996 -5.885 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.068 10.060 -3.739 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.623 10.057 -4.730 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.434 10.066 -5.917 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.552 11.538 -5.561 1.00 1.00 H new ATOM 969 N CYS A 68 -15.316 7.389 -2.664 1.00 1.00 N ATOM 970 CA CYS A 68 -14.535 6.723 -1.635 1.00 1.00 C ATOM 971 C CYS A 68 -14.877 5.231 -1.662 1.00 1.00 C ATOM 972 O CYS A 68 -13.991 4.382 -1.727 1.00 1.00 O ATOM 973 CB CYS A 68 -14.775 7.338 -0.255 1.00 1.00 C ATOM 974 SG CYS A 68 -13.572 8.684 0.048 1.00 1.00 S ATOM 0 H CYS A 68 -16.226 7.732 -2.355 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.473 6.855 -1.839 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.791 7.727 -0.193 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.679 6.573 0.515 1.00 1.00 H new ATOM 0 HG CYS A 68 -13.786 9.201 1.221 1.00 1.00 H new ATOM 979 N HIS A 69 -16.179 4.951 -1.611 1.00 1.00 N ATOM 980 CA HIS A 69 -16.697 3.588 -1.627 1.00 1.00 C ATOM 981 C HIS A 69 -16.972 3.151 -3.078 1.00 1.00 C ATOM 982 O HIS A 69 -17.486 3.937 -3.872 1.00 1.00 O ATOM 983 CB HIS A 69 -17.920 3.509 -0.701 1.00 1.00 C ATOM 984 CG HIS A 69 -17.698 3.868 0.750 1.00 1.00 C ATOM 985 ND1 HIS A 69 -16.957 3.117 1.571 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.147 4.927 1.501 1.00 1.00 C ATOM 987 CE1 HIS A 69 -16.946 3.686 2.787 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.665 4.806 2.799 1.00 1.00 N ATOM 0 H HIS A 69 -16.904 5.666 -1.557 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.965 2.880 -1.239 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.692 4.167 -1.100 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.314 2.494 -0.744 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.478 2.253 1.315 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.776 5.728 1.140 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.422 3.287 3.643 1.00 1.00 H new ATOM 996 N LYS A 70 -16.618 1.909 -3.373 1.00 1.00 N ATOM 997 CA LYS A 70 -16.823 1.370 -4.707 1.00 1.00 C ATOM 998 C LYS A 70 -17.368 -0.056 -4.597 1.00 1.00 C ATOM 999 O LYS A 70 -16.852 -0.865 -3.828 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.537 1.474 -5.529 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.747 0.933 -6.945 1.00 1.00 C ATOM 1002 CD LYS A 70 -15.967 2.074 -7.941 1.00 1.00 C ATOM 1003 CE LYS A 70 -14.746 2.255 -8.845 1.00 1.00 C ATOM 1004 NZ LYS A 70 -13.499 2.193 -8.051 1.00 1.00 N ATOM 0 H LYS A 70 -16.191 1.261 -2.712 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.567 1.956 -5.245 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -15.215 2.514 -5.577 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -14.740 0.916 -5.037 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -14.880 0.345 -7.246 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -16.607 0.263 -6.958 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -16.847 1.866 -8.550 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -16.165 3.000 -7.401 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.735 1.480 -9.611 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -14.808 3.213 -9.362 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -12.771 2.784 -8.501 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -13.682 2.543 -7.089 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -13.166 1.209 -8.004 1.00 1.00 H new ATOM 1017 N LYS A 71 -18.406 -0.320 -5.378 1.00 1.00 N ATOM 1018 CA LYS A 71 -19.027 -1.633 -5.379 1.00 1.00 C ATOM 1019 C LYS A 71 -18.806 -2.297 -6.739 1.00 1.00 C ATOM 1020 O LYS A 71 -17.672 -2.408 -7.203 1.00 1.00 O ATOM 1021 CB LYS A 71 -20.500 -1.529 -4.978 1.00 1.00 C ATOM 1022 CG LYS A 71 -20.911 -2.706 -4.089 1.00 1.00 C ATOM 1023 CD LYS A 71 -22.232 -3.314 -4.561 1.00 1.00 C ATOM 1024 CE LYS A 71 -23.419 -2.677 -3.834 1.00 1.00 C ATOM 1025 NZ LYS A 71 -24.323 -3.721 -3.303 1.00 1.00 N ATOM 0 H LYS A 71 -18.832 0.354 -6.014 1.00 1.00 H new ATOM 0 HA LYS A 71 -18.561 -2.275 -4.631 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -20.671 -0.592 -4.449 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -21.123 -1.509 -5.872 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -20.131 -3.467 -4.103 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -21.010 -2.370 -3.057 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -22.339 -3.170 -5.636 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -22.226 -4.389 -4.383 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -23.059 -2.050 -3.018 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -23.966 -2.028 -4.518 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -25.123 -3.271 -2.813 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -24.680 -4.303 -4.088 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -23.802 -4.324 -2.635 1.00 1.00 H new