USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 HIS : no HD1:sc= 0 X(o=0.98,f=0.98) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.984 K(o=0.98,f=-3!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -7.67! C(o=-19!,f=-22!) USER MOD Set 2.2: A 21 GLN : amide:sc= -8.84! C(o=-19!,f=-26!) USER MOD Set 2.3: A 31 HIS : no HD1:sc= -2.15! C(o=-19!,f=-19!) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -0.97 X(o=-7.8,f=-7.4) USER MOD Set 3.2: A 55 HIS : no HE2:sc= -6.79! C(o=-7.8!,f=-7.8!) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -0.0418 (180deg=-0.322) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0542 K(o=-0.054,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0325) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0.0615 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 166:sc= 0 (180deg=-0.131) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot 180:sc= -2.14 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.0858 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.753 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 0.164 (180deg=0.122) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 3 -7.501 8.578 -2.194 1.00 1.00 N ATOM 25 CA ASP A 3 -6.792 8.224 -0.976 1.00 1.00 C ATOM 26 C ASP A 3 -7.611 7.197 -0.193 1.00 1.00 C ATOM 27 O ASP A 3 -8.725 7.486 0.241 1.00 1.00 O ATOM 28 CB ASP A 3 -6.590 9.449 -0.081 1.00 1.00 C ATOM 29 CG ASP A 3 -6.221 9.135 1.370 1.00 1.00 C ATOM 30 OD1 ASP A 3 -6.590 9.873 2.297 1.00 1.00 O ATOM 31 OD2 ASP A 3 -5.514 8.069 1.535 1.00 1.00 O ATOM 0 HA ASP A 3 -5.820 7.818 -1.258 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -5.806 10.071 -0.513 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -7.506 10.040 -0.088 1.00 1.00 H new ATOM 37 N ILE A 4 -7.028 6.017 -0.036 1.00 1.00 N ATOM 38 CA ILE A 4 -7.691 4.945 0.687 1.00 1.00 C ATOM 39 C ILE A 4 -7.023 4.767 2.052 1.00 1.00 C ATOM 40 O ILE A 4 -6.082 3.987 2.189 1.00 1.00 O ATOM 41 CB ILE A 4 -7.719 3.668 -0.155 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.957 3.630 -1.053 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.614 2.425 0.730 1.00 1.00 C ATOM 44 CD1 ILE A 4 -9.025 2.319 -1.839 1.00 1.00 C ATOM 0 H ILE A 4 -6.104 5.780 -0.397 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.734 5.200 0.873 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.847 3.671 -0.809 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.855 3.741 -0.445 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.935 4.472 -1.745 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.636 1.531 0.106 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.679 2.454 1.289 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.452 2.402 1.426 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.914 2.318 -2.469 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -8.137 2.223 -2.464 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -9.072 1.480 -1.144 1.00 1.00 H new ATOM 56 N VAL A 5 -7.535 5.504 3.026 1.00 1.00 N ATOM 57 CA VAL A 5 -6.999 5.438 4.375 1.00 1.00 C ATOM 58 C VAL A 5 -7.319 4.069 4.979 1.00 1.00 C ATOM 59 O VAL A 5 -8.479 3.662 5.024 1.00 1.00 O ATOM 60 CB VAL A 5 -7.538 6.601 5.210 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.849 6.662 6.575 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.392 7.927 4.462 1.00 1.00 C ATOM 0 H VAL A 5 -8.315 6.150 2.908 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.914 5.542 4.361 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.601 6.427 5.379 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.251 7.498 7.148 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.028 5.732 7.115 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.777 6.800 6.436 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.783 8.737 5.078 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.339 8.110 4.247 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -7.950 7.881 3.527 1.00 1.00 H new ATOM 72 N LEU A 6 -6.271 3.396 5.430 1.00 1.00 N ATOM 73 CA LEU A 6 -6.425 2.082 6.029 1.00 1.00 C ATOM 74 C LEU A 6 -6.617 2.234 7.540 1.00 1.00 C ATOM 75 O LEU A 6 -6.759 3.348 8.042 1.00 1.00 O ATOM 76 CB LEU A 6 -5.253 1.176 5.646 1.00 1.00 C ATOM 77 CG LEU A 6 -5.184 0.754 4.177 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.800 0.202 3.830 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.299 -0.239 3.840 1.00 1.00 C ATOM 0 H LEU A 6 -5.310 3.737 5.392 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.317 1.590 5.641 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.325 1.688 5.900 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.299 0.277 6.260 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.342 1.638 3.559 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.778 -0.091 2.780 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -3.047 0.969 4.009 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.588 -0.667 4.453 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.228 -0.523 2.790 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.197 -1.127 4.464 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.268 0.225 4.025 1.00 1.00 H new ATOM 91 N LYS A 7 -6.614 1.099 8.222 1.00 1.00 N ATOM 92 CA LYS A 7 -6.785 1.092 9.665 1.00 1.00 C ATOM 93 C LYS A 7 -5.426 0.882 10.335 1.00 1.00 C ATOM 94 O LYS A 7 -4.634 0.050 9.894 1.00 1.00 O ATOM 95 CB LYS A 7 -7.838 0.060 10.075 1.00 1.00 C ATOM 96 CG LYS A 7 -7.455 -1.338 9.586 1.00 1.00 C ATOM 97 CD LYS A 7 -7.878 -2.407 10.596 1.00 1.00 C ATOM 98 CE LYS A 7 -9.352 -2.778 10.417 1.00 1.00 C ATOM 99 NZ LYS A 7 -9.542 -3.558 9.174 1.00 1.00 N ATOM 0 H LYS A 7 -6.496 0.177 7.802 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.164 2.055 10.008 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -7.943 0.054 11.160 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -8.807 0.341 9.663 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -7.929 -1.533 8.624 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -6.378 -1.389 9.427 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -7.258 -3.295 10.472 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -7.712 -2.041 11.609 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -9.694 -3.359 11.274 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -9.959 -1.874 10.382 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -10.430 -4.095 9.234 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -9.583 -2.911 8.361 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -8.746 -4.217 9.052 1.00 1.00 H new ATOM 112 N ALA A 8 -5.196 1.651 11.389 1.00 1.00 N ATOM 113 CA ALA A 8 -3.946 1.561 12.124 1.00 1.00 C ATOM 114 C ALA A 8 -3.912 2.648 13.200 1.00 1.00 C ATOM 115 O ALA A 8 -3.686 3.818 12.897 1.00 1.00 O ATOM 116 CB ALA A 8 -2.772 1.668 11.149 1.00 1.00 C ATOM 0 H ALA A 8 -5.855 2.340 11.752 1.00 1.00 H new ATOM 0 HA ALA A 8 -3.865 0.597 12.627 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -1.834 1.601 11.700 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -2.826 0.856 10.424 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.818 2.624 10.627 1.00 1.00 H new ATOM 122 N LYS A 9 -4.140 2.222 14.433 1.00 1.00 N ATOM 123 CA LYS A 9 -4.137 3.144 15.556 1.00 1.00 C ATOM 124 C LYS A 9 -2.718 3.672 15.774 1.00 1.00 C ATOM 125 O LYS A 9 -2.511 4.605 16.549 1.00 1.00 O ATOM 126 CB LYS A 9 -4.745 2.483 16.794 1.00 1.00 C ATOM 127 CG LYS A 9 -6.253 2.731 16.864 1.00 1.00 C ATOM 128 CD LYS A 9 -6.661 3.246 18.246 1.00 1.00 C ATOM 129 CE LYS A 9 -8.164 3.527 18.305 1.00 1.00 C ATOM 130 NZ LYS A 9 -8.423 4.825 18.967 1.00 1.00 N ATOM 0 H LYS A 9 -4.328 1.250 14.680 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.768 4.006 15.342 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.550 1.411 16.771 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -4.267 2.875 17.692 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -6.542 3.455 16.102 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -6.788 1.807 16.644 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -6.395 2.511 19.005 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -6.108 4.157 18.477 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -8.578 3.537 17.297 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -8.668 2.728 18.848 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -9.448 5.000 18.999 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -8.046 4.802 19.936 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -7.958 5.586 18.432 1.00 1.00 H new ATOM 143 N ASN A 10 -1.777 3.051 15.078 1.00 1.00 N ATOM 144 CA ASN A 10 -0.383 3.446 15.187 1.00 1.00 C ATOM 145 C ASN A 10 -0.111 4.609 14.230 1.00 1.00 C ATOM 146 O ASN A 10 1.003 5.130 14.181 1.00 1.00 O ATOM 147 CB ASN A 10 0.548 2.293 14.806 1.00 1.00 C ATOM 148 CG ASN A 10 0.337 1.091 15.729 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.718 0.480 15.764 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.397 0.787 16.472 1.00 1.00 N ATOM 0 H ASN A 10 -1.952 2.277 14.437 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.194 3.735 16.221 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.365 1.999 13.772 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.585 2.624 14.864 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.357 0.001 17.120 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.250 1.340 16.394 1.00 1.00 H new ATOM 157 N GLY A 11 -1.147 4.982 13.493 1.00 1.00 N ATOM 158 CA GLY A 11 -1.034 6.073 12.540 1.00 1.00 C ATOM 159 C GLY A 11 -1.526 5.646 11.156 1.00 1.00 C ATOM 160 O GLY A 11 -0.888 4.832 10.490 1.00 1.00 O ATOM 0 H GLY A 11 -2.069 4.548 13.537 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.615 6.927 12.889 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.004 6.399 12.476 1.00 1.00 H new ATOM 164 N ASP A 12 -2.657 6.214 10.764 1.00 1.00 N ATOM 165 CA ASP A 12 -3.242 5.902 9.471 1.00 1.00 C ATOM 166 C ASP A 12 -2.140 5.871 8.411 1.00 1.00 C ATOM 167 O ASP A 12 -1.129 6.559 8.542 1.00 1.00 O ATOM 168 CB ASP A 12 -4.265 6.962 9.059 1.00 1.00 C ATOM 169 CG ASP A 12 -5.726 6.514 9.131 1.00 1.00 C ATOM 170 OD1 ASP A 12 -6.650 7.340 9.104 1.00 1.00 O ATOM 171 OD2 ASP A 12 -5.902 5.239 9.219 1.00 1.00 O ATOM 0 H ASP A 12 -3.184 6.888 11.319 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.737 4.934 9.550 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.137 7.836 9.697 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.048 7.278 8.039 1.00 1.00 H new ATOM 177 N VAL A 13 -2.372 5.067 7.384 1.00 1.00 N ATOM 178 CA VAL A 13 -1.411 4.938 6.302 1.00 1.00 C ATOM 179 C VAL A 13 -2.069 5.367 4.988 1.00 1.00 C ATOM 180 O VAL A 13 -2.588 4.532 4.249 1.00 1.00 O ATOM 181 CB VAL A 13 -0.861 3.511 6.258 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.217 3.373 5.181 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.327 3.087 7.627 1.00 1.00 C ATOM 0 H VAL A 13 -3.212 4.498 7.278 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.558 5.595 6.468 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.682 2.843 5.998 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.592 2.349 5.170 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.209 3.614 4.207 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.037 4.057 5.397 1.00 1.00 H new ATOM 0 HG21 VAL A 13 0.058 2.069 7.568 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.474 3.761 7.930 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.132 3.128 8.360 1.00 1.00 H new ATOM 193 N LYS A 14 -2.024 6.667 4.738 1.00 1.00 N ATOM 194 CA LYS A 14 -2.609 7.216 3.527 1.00 1.00 C ATOM 195 C LYS A 14 -1.927 6.592 2.308 1.00 1.00 C ATOM 196 O LYS A 14 -0.733 6.791 2.091 1.00 1.00 O ATOM 197 CB LYS A 14 -2.550 8.745 3.549 1.00 1.00 C ATOM 198 CG LYS A 14 -2.883 9.326 2.173 1.00 1.00 C ATOM 199 CD LYS A 14 -1.934 10.472 1.818 1.00 1.00 C ATOM 200 CE LYS A 14 -1.111 10.137 0.572 1.00 1.00 C ATOM 201 NZ LYS A 14 0.049 11.049 0.455 1.00 1.00 N ATOM 0 H LYS A 14 -1.592 7.356 5.353 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.667 6.962 3.466 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.252 9.129 4.289 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.555 9.070 3.854 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.813 8.544 1.417 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.912 9.685 2.165 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.507 11.383 1.646 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.266 10.669 2.657 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -0.765 9.105 0.624 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -1.737 10.219 -0.317 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 0.467 10.959 -0.493 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -0.264 12.030 0.604 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 0.760 10.800 1.172 1.00 1.00 H new ATOM 214 N LEU A 15 -2.715 5.849 1.544 1.00 1.00 N ATOM 215 CA LEU A 15 -2.202 5.194 0.353 1.00 1.00 C ATOM 216 C LEU A 15 -2.720 5.924 -0.888 1.00 1.00 C ATOM 217 O LEU A 15 -3.880 5.810 -1.276 1.00 1.00 O ATOM 218 CB LEU A 15 -2.540 3.702 0.374 1.00 1.00 C ATOM 219 CG LEU A 15 -2.511 2.989 -0.979 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.123 2.415 -1.267 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.602 1.919 -1.058 1.00 1.00 C ATOM 0 H LEU A 15 -3.705 5.686 1.727 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.114 5.250 0.326 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.840 3.200 1.042 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.534 3.581 0.805 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.723 3.723 -1.757 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.130 1.914 -2.235 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.391 3.223 -1.282 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.857 1.699 -0.489 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.560 1.427 -2.030 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.446 1.181 -0.271 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.579 2.385 -0.930 1.00 1.00 H new ATOM 233 N PRO A 16 -1.819 6.689 -1.509 1.00 1.00 N ATOM 234 CA PRO A 16 -2.090 7.465 -2.700 1.00 1.00 C ATOM 235 C PRO A 16 -2.552 6.541 -3.817 1.00 1.00 C ATOM 236 O PRO A 16 -1.849 6.423 -4.820 1.00 1.00 O ATOM 237 CB PRO A 16 -0.757 8.124 -3.050 1.00 1.00 C ATOM 238 CG PRO A 16 0.060 8.081 -1.823 1.00 1.00 C ATOM 239 CD PRO A 16 -0.446 6.847 -1.080 1.00 1.00 C ATOM 0 HA PRO A 16 -2.876 8.206 -2.554 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.263 7.594 -3.865 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.906 9.151 -3.382 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.122 7.999 -2.054 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -0.068 8.985 -1.227 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.148 5.967 -1.326 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.383 6.983 -0.000 1.00 1.00 H new ATOM 247 N HIS A 17 -3.704 5.913 -3.630 1.00 1.00 N ATOM 248 CA HIS A 17 -4.234 5.006 -4.635 1.00 1.00 C ATOM 249 C HIS A 17 -4.045 5.615 -6.025 1.00 1.00 C ATOM 250 O HIS A 17 -3.462 4.987 -6.908 1.00 1.00 O ATOM 251 CB HIS A 17 -5.692 4.655 -4.334 1.00 1.00 C ATOM 252 CG HIS A 17 -6.224 3.497 -5.143 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.164 3.652 -6.147 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.938 2.164 -5.087 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.425 2.461 -6.664 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.664 1.540 -6.005 1.00 1.00 N ATOM 0 H HIS A 17 -4.285 6.014 -2.798 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.683 4.066 -4.610 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.787 4.418 -3.274 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.312 5.531 -4.522 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.585 4.534 -6.439 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.239 1.696 -4.410 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -8.118 2.255 -7.466 1.00 1.00 H new ATOM 264 N LYS A 18 -4.549 6.831 -6.177 1.00 1.00 N ATOM 265 CA LYS A 18 -4.443 7.532 -7.446 1.00 1.00 C ATOM 266 C LYS A 18 -2.989 7.499 -7.922 1.00 1.00 C ATOM 267 O LYS A 18 -2.697 6.985 -9.001 1.00 1.00 O ATOM 268 CB LYS A 18 -5.019 8.944 -7.328 1.00 1.00 C ATOM 269 CG LYS A 18 -5.028 9.648 -8.686 1.00 1.00 C ATOM 270 CD LYS A 18 -6.109 9.065 -9.599 1.00 1.00 C ATOM 271 CE LYS A 18 -5.601 8.935 -11.036 1.00 1.00 C ATOM 272 NZ LYS A 18 -6.495 8.057 -11.824 1.00 1.00 N ATOM 0 H LYS A 18 -5.032 7.349 -5.443 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.040 7.032 -8.208 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -6.034 8.895 -6.933 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.429 9.523 -6.618 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -5.202 10.715 -8.545 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -4.052 9.544 -9.160 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -6.415 8.087 -9.228 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -6.992 9.704 -9.578 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -5.548 9.920 -11.500 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -4.590 8.528 -11.035 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -6.136 7.979 -12.797 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -6.525 7.113 -11.390 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -7.453 8.461 -11.840 1.00 1.00 H new ATOM 285 N ALA A 19 -2.116 8.054 -7.095 1.00 1.00 N ATOM 286 CA ALA A 19 -0.700 8.094 -7.418 1.00 1.00 C ATOM 287 C ALA A 19 -0.210 6.678 -7.724 1.00 1.00 C ATOM 288 O ALA A 19 0.468 6.455 -8.726 1.00 1.00 O ATOM 289 CB ALA A 19 0.069 8.740 -6.263 1.00 1.00 C ATOM 0 H ALA A 19 -2.362 8.480 -6.201 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.526 8.702 -8.306 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.131 8.770 -6.505 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.296 9.755 -6.105 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.080 8.156 -5.355 1.00 1.00 H new ATOM 295 N HIS A 20 -0.573 5.757 -6.843 1.00 1.00 N ATOM 296 CA HIS A 20 -0.179 4.368 -7.006 1.00 1.00 C ATOM 297 C HIS A 20 -0.800 3.806 -8.286 1.00 1.00 C ATOM 298 O HIS A 20 -0.285 2.849 -8.862 1.00 1.00 O ATOM 299 CB HIS A 20 -0.539 3.551 -5.764 1.00 1.00 C ATOM 300 CG HIS A 20 0.486 3.631 -4.658 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.496 4.645 -3.717 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.533 2.812 -4.353 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.509 4.437 -2.888 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.151 3.301 -3.284 1.00 1.00 N ATOM 0 H HIS A 20 -1.136 5.946 -6.014 1.00 1.00 H new ATOM 0 HA HIS A 20 0.904 4.303 -7.110 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.500 3.896 -5.381 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.667 2.508 -6.052 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.164 5.421 -3.669 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.812 1.917 -4.890 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.779 5.058 -2.047 1.00 1.00 H new ATOM 312 N GLN A 21 -1.899 4.425 -8.694 1.00 1.00 N ATOM 313 CA GLN A 21 -2.596 3.998 -9.895 1.00 1.00 C ATOM 314 C GLN A 21 -1.881 4.527 -11.140 1.00 1.00 C ATOM 315 O GLN A 21 -2.195 4.124 -12.259 1.00 1.00 O ATOM 316 CB GLN A 21 -4.058 4.449 -9.870 1.00 1.00 C ATOM 317 CG GLN A 21 -4.895 3.542 -8.965 1.00 1.00 C ATOM 318 CD GLN A 21 -6.232 4.200 -8.616 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.299 5.193 -7.911 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.289 3.592 -9.148 1.00 1.00 N ATOM 0 H GLN A 21 -2.323 5.219 -8.214 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.586 2.909 -9.929 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.119 5.478 -9.516 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.464 4.435 -10.881 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -5.074 2.589 -9.464 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.343 3.325 -8.051 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.162 2.764 -9.730 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.227 3.954 -8.974 1.00 1.00 H new ATOM 329 N LYS A 22 -0.932 5.421 -10.904 1.00 1.00 N ATOM 330 CA LYS A 22 -0.170 6.009 -11.992 1.00 1.00 C ATOM 331 C LYS A 22 1.252 5.444 -11.976 1.00 1.00 C ATOM 332 O LYS A 22 1.830 5.180 -13.029 1.00 1.00 O ATOM 333 CB LYS A 22 -0.226 7.536 -11.921 1.00 1.00 C ATOM 334 CG LYS A 22 0.492 8.167 -13.116 1.00 1.00 C ATOM 335 CD LYS A 22 1.989 8.323 -12.836 1.00 1.00 C ATOM 336 CE LYS A 22 2.550 9.566 -13.530 1.00 1.00 C ATOM 337 NZ LYS A 22 3.098 9.215 -14.859 1.00 1.00 N ATOM 0 H LYS A 22 -0.673 5.752 -9.975 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.609 5.742 -12.953 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.265 7.865 -11.901 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.234 7.878 -10.994 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.346 7.547 -14.001 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.056 9.142 -13.334 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.156 8.396 -11.761 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.522 7.437 -13.182 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.765 10.314 -13.640 1.00 1.00 H new ATOM 0 HE3 LYS A 22 3.331 10.012 -12.914 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 3.474 10.070 -15.316 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 3.861 8.518 -14.747 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.344 8.810 -15.450 1.00 1.00 H new ATOM 350 N ALA A 23 1.775 5.277 -10.770 1.00 1.00 N ATOM 351 CA ALA A 23 3.118 4.749 -10.604 1.00 1.00 C ATOM 352 C ALA A 23 3.118 3.254 -10.931 1.00 1.00 C ATOM 353 O ALA A 23 4.155 2.691 -11.277 1.00 1.00 O ATOM 354 CB ALA A 23 3.606 5.034 -9.182 1.00 1.00 C ATOM 0 H ALA A 23 1.293 5.498 -9.899 1.00 1.00 H new ATOM 0 HA ALA A 23 3.810 5.237 -11.291 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.614 4.638 -9.057 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.615 6.110 -9.009 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.937 4.557 -8.465 1.00 1.00 H new ATOM 360 N VAL A 24 1.942 2.655 -10.811 1.00 1.00 N ATOM 361 CA VAL A 24 1.794 1.236 -11.090 1.00 1.00 C ATOM 362 C VAL A 24 0.609 1.029 -12.036 1.00 1.00 C ATOM 363 O VAL A 24 -0.428 0.480 -11.672 1.00 1.00 O ATOM 364 CB VAL A 24 1.656 0.457 -9.780 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.176 -0.972 -10.041 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.973 0.459 -9.000 1.00 1.00 C ATOM 0 H VAL A 24 1.084 3.126 -10.525 1.00 1.00 H new ATOM 0 HA VAL A 24 2.682 0.850 -11.590 1.00 1.00 H new ATOM 0 HB VAL A 24 0.904 0.957 -9.170 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.086 -1.504 -9.094 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.205 -0.945 -10.536 1.00 1.00 H new ATOM 0 HG13 VAL A 24 1.894 -1.486 -10.679 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.848 -0.101 -8.073 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.753 -0.006 -9.602 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.257 1.485 -8.768 1.00 1.00 H new ATOM 376 N PRO A 25 0.792 1.486 -13.277 1.00 1.00 N ATOM 377 CA PRO A 25 -0.193 1.394 -14.333 1.00 1.00 C ATOM 378 C PRO A 25 -0.755 -0.019 -14.385 1.00 1.00 C ATOM 379 O PRO A 25 -1.857 -0.201 -14.901 1.00 1.00 O ATOM 380 CB PRO A 25 0.572 1.727 -15.612 1.00 1.00 C ATOM 381 CG PRO A 25 1.685 2.584 -15.164 1.00 1.00 C ATOM 382 CD PRO A 25 1.999 2.136 -13.739 1.00 1.00 C ATOM 0 HA PRO A 25 -1.038 2.067 -14.185 1.00 1.00 H new ATOM 0 HB2 PRO A 25 0.938 0.825 -16.102 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -0.063 2.245 -16.331 1.00 1.00 H new ATOM 0 HG2 PRO A 25 2.554 2.469 -15.812 1.00 1.00 H new ATOM 0 HG3 PRO A 25 1.405 3.637 -15.191 1.00 1.00 H new ATOM 0 HD2 PRO A 25 2.848 1.453 -13.718 1.00 1.00 H new ATOM 0 HD3 PRO A 25 2.257 2.985 -13.106 1.00 1.00 H new ATOM 390 N ASP A 26 -0.003 -0.977 -13.863 1.00 1.00 N ATOM 391 CA ASP A 26 -0.447 -2.360 -13.863 1.00 1.00 C ATOM 392 C ASP A 26 -1.273 -2.627 -12.604 1.00 1.00 C ATOM 393 O ASP A 26 -0.727 -3.006 -11.568 1.00 1.00 O ATOM 394 CB ASP A 26 0.744 -3.320 -13.860 1.00 1.00 C ATOM 395 CG ASP A 26 2.092 -2.680 -14.199 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.633 -1.880 -13.421 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.597 -3.038 -15.331 1.00 1.00 O ATOM 0 H ASP A 26 0.911 -0.822 -13.437 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.040 -2.524 -14.763 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.816 -3.783 -12.876 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.549 -4.120 -14.575 1.00 1.00 H new ATOM 403 N CYS A 27 -2.575 -2.419 -12.733 1.00 1.00 N ATOM 404 CA CYS A 27 -3.481 -2.633 -11.618 1.00 1.00 C ATOM 405 C CYS A 27 -3.697 -4.139 -11.455 1.00 1.00 C ATOM 406 O CYS A 27 -4.826 -4.619 -11.533 1.00 1.00 O ATOM 407 CB CYS A 27 -4.802 -1.885 -11.811 1.00 1.00 C ATOM 408 SG CYS A 27 -4.667 -0.319 -12.750 1.00 1.00 S ATOM 0 H CYS A 27 -3.024 -2.104 -13.593 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.040 -2.230 -10.706 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.503 -2.542 -12.326 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.228 -1.669 -10.831 1.00 1.00 H new ATOM 0 HG CYS A 27 -5.842 0.227 -12.855 1.00 1.00 H new ATOM 413 N LYS A 28 -2.596 -4.841 -11.233 1.00 1.00 N ATOM 414 CA LYS A 28 -2.650 -6.283 -11.059 1.00 1.00 C ATOM 415 C LYS A 28 -1.740 -6.687 -9.898 1.00 1.00 C ATOM 416 O LYS A 28 -2.154 -7.430 -9.010 1.00 1.00 O ATOM 417 CB LYS A 28 -2.323 -6.994 -12.374 1.00 1.00 C ATOM 418 CG LYS A 28 -1.311 -6.191 -13.194 1.00 1.00 C ATOM 419 CD LYS A 28 -0.897 -6.954 -14.454 1.00 1.00 C ATOM 420 CE LYS A 28 -1.853 -6.661 -15.612 1.00 1.00 C ATOM 421 NZ LYS A 28 -1.095 -6.339 -16.841 1.00 1.00 N ATOM 0 H LYS A 28 -1.661 -4.438 -11.170 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.660 -6.597 -10.796 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.922 -7.986 -12.165 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.236 -7.134 -12.953 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -1.744 -5.230 -13.472 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.431 -5.980 -12.587 1.00 1.00 H new ATOM 0 HD2 LYS A 28 0.118 -6.674 -14.736 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -0.887 -8.024 -14.248 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -2.494 -7.524 -15.789 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -2.505 -5.827 -15.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -1.759 -6.143 -17.617 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -0.501 -5.502 -16.673 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -0.491 -7.146 -17.098 1.00 1.00 H new ATOM 434 N LYS A 29 -0.517 -6.179 -9.942 1.00 1.00 N ATOM 435 CA LYS A 29 0.456 -6.477 -8.905 1.00 1.00 C ATOM 436 C LYS A 29 -0.139 -6.130 -7.539 1.00 1.00 C ATOM 437 O LYS A 29 0.330 -6.617 -6.511 1.00 1.00 O ATOM 438 CB LYS A 29 1.782 -5.773 -9.195 1.00 1.00 C ATOM 439 CG LYS A 29 2.664 -5.728 -7.946 1.00 1.00 C ATOM 440 CD LYS A 29 3.205 -7.119 -7.607 1.00 1.00 C ATOM 441 CE LYS A 29 4.684 -7.053 -7.222 1.00 1.00 C ATOM 442 NZ LYS A 29 4.865 -7.400 -5.794 1.00 1.00 N ATOM 0 H LYS A 29 -0.178 -5.562 -10.680 1.00 1.00 H new ATOM 0 HA LYS A 29 0.685 -7.543 -8.892 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.306 -6.294 -9.996 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.590 -4.759 -9.546 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.494 -5.040 -8.107 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.089 -5.342 -7.104 1.00 1.00 H new ATOM 0 HD2 LYS A 29 2.630 -7.546 -6.785 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.078 -7.781 -8.463 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.259 -7.739 -7.844 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.070 -6.051 -7.411 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 5.875 -7.350 -5.550 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 4.333 -6.730 -5.204 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 4.515 -8.364 -5.624 1.00 1.00 H new ATOM 455 N CYS A 30 -1.163 -5.289 -7.571 1.00 1.00 N ATOM 456 CA CYS A 30 -1.827 -4.870 -6.349 1.00 1.00 C ATOM 457 C CYS A 30 -3.199 -5.545 -6.292 1.00 1.00 C ATOM 458 O CYS A 30 -3.697 -5.857 -5.211 1.00 1.00 O ATOM 459 CB CYS A 30 -1.935 -3.347 -6.257 1.00 1.00 C ATOM 460 SG CYS A 30 -0.719 -2.704 -5.050 1.00 1.00 S ATOM 0 H CYS A 30 -1.549 -4.887 -8.425 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.236 -5.178 -5.487 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.758 -2.902 -7.236 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.943 -3.063 -5.956 1.00 1.00 H new ATOM 0 HG CYS A 30 -0.818 -1.410 -4.982 1.00 1.00 H new ATOM 465 N HIS A 31 -3.772 -5.749 -7.469 1.00 1.00 N ATOM 466 CA HIS A 31 -5.076 -6.381 -7.567 1.00 1.00 C ATOM 467 C HIS A 31 -4.932 -7.758 -8.217 1.00 1.00 C ATOM 468 O HIS A 31 -4.630 -7.859 -9.405 1.00 1.00 O ATOM 469 CB HIS A 31 -6.064 -5.476 -8.307 1.00 1.00 C ATOM 470 CG HIS A 31 -6.484 -4.255 -7.523 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.321 -4.323 -6.423 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.175 -2.938 -7.692 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.501 -3.095 -5.959 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.790 -2.238 -6.747 1.00 1.00 N ATOM 0 H HIS A 31 -3.357 -5.488 -8.363 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.487 -6.531 -6.569 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.614 -5.155 -9.246 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.952 -6.055 -8.561 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.538 -2.533 -8.464 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -8.105 -2.821 -5.107 1.00 1.00 H new ATOM 0 HE2 HIS A 31 -6.739 -1.226 -6.629 1.00 1.00 H new ATOM 482 N GLU A 32 -5.156 -8.784 -7.409 1.00 1.00 N ATOM 483 CA GLU A 32 -5.055 -10.151 -7.891 1.00 1.00 C ATOM 484 C GLU A 32 -6.295 -10.519 -8.708 1.00 1.00 C ATOM 485 O GLU A 32 -6.389 -10.178 -9.886 1.00 1.00 O ATOM 486 CB GLU A 32 -4.854 -11.128 -6.730 1.00 1.00 C ATOM 487 CG GLU A 32 -3.372 -11.256 -6.371 1.00 1.00 C ATOM 488 CD GLU A 32 -3.069 -12.633 -5.777 1.00 1.00 C ATOM 489 OE1 GLU A 32 -3.790 -13.093 -4.879 1.00 1.00 O ATOM 490 OE2 GLU A 32 -2.043 -13.231 -6.280 1.00 1.00 O ATOM 0 H GLU A 32 -5.407 -8.696 -6.424 1.00 1.00 H new ATOM 0 HA GLU A 32 -4.182 -10.223 -8.540 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -5.414 -10.785 -5.860 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.252 -12.106 -7.000 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.763 -11.098 -7.261 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -3.099 -10.480 -5.656 1.00 1.00 H new ATOM 498 N LYS A 33 -7.214 -11.210 -8.051 1.00 1.00 N ATOM 499 CA LYS A 33 -8.444 -11.628 -8.703 1.00 1.00 C ATOM 500 C LYS A 33 -8.934 -10.508 -9.623 1.00 1.00 C ATOM 501 O LYS A 33 -9.569 -10.772 -10.643 1.00 1.00 O ATOM 502 CB LYS A 33 -9.479 -12.066 -7.664 1.00 1.00 C ATOM 503 CG LYS A 33 -9.225 -13.505 -7.211 1.00 1.00 C ATOM 504 CD LYS A 33 -10.481 -14.363 -7.384 1.00 1.00 C ATOM 505 CE LYS A 33 -10.308 -15.363 -8.530 1.00 1.00 C ATOM 506 NZ LYS A 33 -11.604 -15.993 -8.867 1.00 1.00 N ATOM 0 H LYS A 33 -7.132 -11.491 -7.074 1.00 1.00 H new ATOM 0 HA LYS A 33 -8.265 -12.502 -9.330 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.441 -11.398 -6.804 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.481 -11.985 -8.086 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -8.405 -13.933 -7.788 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.916 -13.512 -6.166 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -10.691 -14.898 -6.458 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -11.340 -13.722 -7.583 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -9.905 -14.855 -9.406 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -9.587 -16.130 -8.246 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -11.469 -16.669 -9.646 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -11.973 -16.494 -8.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -12.281 -15.259 -9.158 1.00 1.00 H new ATOM 519 N GLY A 34 -8.620 -9.282 -9.231 1.00 1.00 N ATOM 520 CA GLY A 34 -9.020 -8.122 -10.009 1.00 1.00 C ATOM 521 C GLY A 34 -9.126 -6.879 -9.123 1.00 1.00 C ATOM 522 O GLY A 34 -8.872 -6.910 -7.921 1.00 1.00 O ATOM 0 H GLY A 34 -8.093 -9.067 -8.385 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.296 -7.946 -10.804 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.980 -8.314 -10.489 1.00 1.00 H new ATOM 526 N PRO A 35 -9.513 -5.768 -9.754 1.00 1.00 N ATOM 527 CA PRO A 35 -9.681 -4.482 -9.113 1.00 1.00 C ATOM 528 C PRO A 35 -10.781 -4.573 -8.065 1.00 1.00 C ATOM 529 O PRO A 35 -11.905 -4.931 -8.414 1.00 1.00 O ATOM 530 CB PRO A 35 -10.077 -3.531 -10.241 1.00 1.00 C ATOM 531 CG PRO A 35 -10.702 -4.458 -11.316 1.00 1.00 C ATOM 532 CD PRO A 35 -9.820 -5.696 -11.167 1.00 1.00 C ATOM 0 HA PRO A 35 -8.781 -4.143 -8.600 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.790 -2.781 -9.898 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.213 -2.994 -10.632 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -11.752 -4.672 -11.118 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -10.647 -4.028 -12.316 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.339 -6.593 -11.505 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.912 -5.609 -11.764 1.00 1.00 H new ATOM 540 N GLY A 36 -10.446 -4.256 -6.823 1.00 1.00 N ATOM 541 CA GLY A 36 -11.422 -4.312 -5.748 1.00 1.00 C ATOM 542 C GLY A 36 -10.787 -4.838 -4.459 1.00 1.00 C ATOM 543 O GLY A 36 -9.584 -4.686 -4.248 1.00 1.00 O ATOM 0 H GLY A 36 -9.513 -3.960 -6.537 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.835 -3.318 -5.575 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.252 -4.956 -6.038 1.00 1.00 H new ATOM 547 N LYS A 37 -11.623 -5.444 -3.629 1.00 1.00 N ATOM 548 CA LYS A 37 -11.159 -5.993 -2.366 1.00 1.00 C ATOM 549 C LYS A 37 -10.084 -7.048 -2.638 1.00 1.00 C ATOM 550 O LYS A 37 -10.120 -7.726 -3.664 1.00 1.00 O ATOM 551 CB LYS A 37 -12.338 -6.514 -1.543 1.00 1.00 C ATOM 552 CG LYS A 37 -12.755 -7.912 -2.005 1.00 1.00 C ATOM 553 CD LYS A 37 -13.797 -8.513 -1.060 1.00 1.00 C ATOM 554 CE LYS A 37 -15.162 -7.848 -1.255 1.00 1.00 C ATOM 555 NZ LYS A 37 -16.182 -8.501 -0.405 1.00 1.00 N ATOM 0 H LYS A 37 -12.620 -5.567 -3.807 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.696 -5.215 -1.759 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -12.065 -6.542 -0.488 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -13.181 -5.830 -1.636 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -13.162 -7.859 -3.015 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.880 -8.561 -2.048 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -13.881 -9.585 -1.240 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -13.472 -8.388 -0.027 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -15.096 -6.789 -1.006 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -15.458 -7.911 -2.302 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -17.102 -8.038 -0.549 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -16.256 -9.506 -0.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -15.906 -8.418 0.594 1.00 1.00 H new ATOM 568 N ILE A 38 -9.154 -7.154 -1.701 1.00 1.00 N ATOM 569 CA ILE A 38 -8.071 -8.115 -1.826 1.00 1.00 C ATOM 570 C ILE A 38 -8.192 -9.160 -0.715 1.00 1.00 C ATOM 571 O ILE A 38 -8.391 -8.815 0.448 1.00 1.00 O ATOM 572 CB ILE A 38 -6.720 -7.399 -1.852 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.748 -6.210 -2.815 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.588 -8.375 -2.181 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.558 -5.279 -2.571 1.00 1.00 C ATOM 0 H ILE A 38 -9.128 -6.590 -0.851 1.00 1.00 H new ATOM 0 HA ILE A 38 -8.142 -8.648 -2.774 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.525 -7.003 -0.856 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.728 -6.570 -3.844 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.679 -5.657 -2.689 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.638 -7.840 -2.193 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.553 -9.160 -1.425 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.765 -8.821 -3.159 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.602 -4.442 -3.268 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.595 -4.902 -1.549 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.629 -5.829 -2.722 1.00 1.00 H new ATOM 587 N GLU A 39 -8.067 -10.418 -1.114 1.00 1.00 N ATOM 588 CA GLU A 39 -8.160 -11.516 -0.167 1.00 1.00 C ATOM 589 C GLU A 39 -6.771 -12.096 0.111 1.00 1.00 C ATOM 590 O GLU A 39 -6.172 -12.725 -0.760 1.00 1.00 O ATOM 591 CB GLU A 39 -9.115 -12.598 -0.673 1.00 1.00 C ATOM 592 CG GLU A 39 -10.260 -12.825 0.315 1.00 1.00 C ATOM 593 CD GLU A 39 -10.544 -14.318 0.493 1.00 1.00 C ATOM 594 OE1 GLU A 39 -9.603 -15.121 0.586 1.00 1.00 O ATOM 595 OE2 GLU A 39 -11.793 -14.635 0.534 1.00 1.00 O ATOM 0 H GLU A 39 -7.902 -10.701 -2.080 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.565 -11.130 0.768 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.519 -12.307 -1.643 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -8.569 -13.529 -0.822 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -10.007 -12.382 1.278 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -11.158 -12.321 -0.042 1.00 1.00 H new ATOM 603 N GLY A 40 -6.300 -11.864 1.327 1.00 1.00 N ATOM 604 CA GLY A 40 -4.994 -12.356 1.730 1.00 1.00 C ATOM 605 C GLY A 40 -4.170 -11.247 2.388 1.00 1.00 C ATOM 606 O GLY A 40 -3.522 -11.473 3.409 1.00 1.00 O ATOM 0 H GLY A 40 -6.800 -11.342 2.047 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.113 -13.187 2.425 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.462 -12.742 0.860 1.00 1.00 H new ATOM 610 N PHE A 41 -4.221 -10.073 1.776 1.00 1.00 N ATOM 611 CA PHE A 41 -3.487 -8.929 2.290 1.00 1.00 C ATOM 612 C PHE A 41 -3.867 -8.642 3.744 1.00 1.00 C ATOM 613 O PHE A 41 -4.838 -9.197 4.257 1.00 1.00 O ATOM 614 CB PHE A 41 -3.873 -7.726 1.427 1.00 1.00 C ATOM 615 CG PHE A 41 -3.232 -6.410 1.871 1.00 1.00 C ATOM 616 CD1 PHE A 41 -1.973 -6.095 1.463 1.00 1.00 C ATOM 617 CD2 PHE A 41 -3.920 -5.555 2.675 1.00 1.00 C ATOM 618 CE1 PHE A 41 -1.378 -4.874 1.875 1.00 1.00 C ATOM 619 CE2 PHE A 41 -3.325 -4.334 3.087 1.00 1.00 C ATOM 620 CZ PHE A 41 -2.066 -4.019 2.679 1.00 1.00 C ATOM 0 H PHE A 41 -4.759 -9.889 0.929 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.416 -9.128 2.255 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.588 -7.927 0.394 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.957 -7.614 1.443 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -1.426 -6.774 0.826 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -4.919 -5.805 3.000 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -0.379 -4.624 1.550 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -3.872 -3.655 3.724 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.613 -3.090 2.993 1.00 1.00 H new ATOM 674 N MET A 45 1.549 -8.188 5.476 1.00 1.00 N ATOM 675 CA MET A 45 1.650 -7.970 4.043 1.00 1.00 C ATOM 676 C MET A 45 2.247 -6.595 3.738 1.00 1.00 C ATOM 677 O MET A 45 3.280 -6.496 3.077 1.00 1.00 O ATOM 678 CB MET A 45 0.260 -8.075 3.412 1.00 1.00 C ATOM 679 CG MET A 45 -0.374 -9.436 3.704 1.00 1.00 C ATOM 680 SD MET A 45 -0.203 -10.506 2.285 1.00 1.00 S ATOM 681 CE MET A 45 -0.250 -12.098 3.090 1.00 1.00 C ATOM 0 HA MET A 45 2.308 -8.731 3.624 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.380 -7.282 3.799 1.00 1.00 H new ATOM 0 HB3 MET A 45 0.334 -7.928 2.334 1.00 1.00 H new ATOM 0 HG2 MET A 45 0.104 -9.890 4.572 1.00 1.00 H new ATOM 0 HG3 MET A 45 -1.428 -9.310 3.950 1.00 1.00 H new ATOM 0 HE1 MET A 45 -0.405 -12.878 2.345 1.00 1.00 H new ATOM 0 HE2 MET A 45 0.694 -12.272 3.607 1.00 1.00 H new ATOM 0 HE3 MET A 45 -1.067 -12.117 3.811 1.00 1.00 H new ATOM 691 N ALA A 46 1.572 -5.569 4.234 1.00 1.00 N ATOM 692 CA ALA A 46 2.024 -4.204 4.022 1.00 1.00 C ATOM 693 C ALA A 46 3.477 -4.075 4.482 1.00 1.00 C ATOM 694 O ALA A 46 4.270 -3.373 3.856 1.00 1.00 O ATOM 695 CB ALA A 46 1.092 -3.238 4.757 1.00 1.00 C ATOM 0 H ALA A 46 0.716 -5.655 4.782 1.00 1.00 H new ATOM 0 HA ALA A 46 1.990 -3.949 2.963 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.431 -2.214 4.598 1.00 1.00 H new ATOM 0 HB2 ALA A 46 0.078 -3.348 4.373 1.00 1.00 H new ATOM 0 HB3 ALA A 46 1.103 -3.463 5.824 1.00 1.00 H new ATOM 701 N HIS A 47 3.783 -4.764 5.572 1.00 1.00 N ATOM 702 CA HIS A 47 5.127 -4.735 6.123 1.00 1.00 C ATOM 703 C HIS A 47 6.043 -5.632 5.287 1.00 1.00 C ATOM 704 O HIS A 47 7.215 -5.807 5.617 1.00 1.00 O ATOM 705 CB HIS A 47 5.115 -5.116 7.604 1.00 1.00 C ATOM 706 CG HIS A 47 4.281 -4.200 8.467 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.419 -4.669 9.444 1.00 1.00 N ATOM 708 CD2 HIS A 47 4.186 -2.840 8.491 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.837 -3.629 10.022 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.313 -2.496 9.430 1.00 1.00 N ATOM 0 H HIS A 47 3.123 -5.346 6.088 1.00 1.00 H new ATOM 0 HA HIS A 47 5.524 -3.721 6.072 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.739 -6.134 7.704 1.00 1.00 H new ATOM 0 HB3 HIS A 47 6.139 -5.117 7.977 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.729 -2.158 7.854 1.00 1.00 H new ATOM 0 HE1 HIS A 47 2.113 -3.671 10.822 1.00 1.00 H new ATOM 0 HE2 HIS A 47 3.043 -1.542 9.669 1.00 1.00 H new ATOM 718 N GLY A 48 5.474 -6.175 4.221 1.00 1.00 N ATOM 719 CA GLY A 48 6.225 -7.049 3.336 1.00 1.00 C ATOM 720 C GLY A 48 5.608 -7.074 1.936 1.00 1.00 C ATOM 721 O GLY A 48 5.224 -6.033 1.405 1.00 1.00 O ATOM 0 H GLY A 48 4.502 -6.027 3.950 1.00 1.00 H new ATOM 0 HA2 GLY A 48 7.259 -6.709 3.275 1.00 1.00 H new ATOM 0 HA3 GLY A 48 6.244 -8.058 3.747 1.00 1.00 H new ATOM 725 N LYS A 49 5.531 -8.273 1.379 1.00 1.00 N ATOM 726 CA LYS A 49 4.966 -8.447 0.052 1.00 1.00 C ATOM 727 C LYS A 49 3.527 -7.929 0.042 1.00 1.00 C ATOM 728 O LYS A 49 2.583 -8.703 0.194 1.00 1.00 O ATOM 729 CB LYS A 49 5.099 -9.903 -0.400 1.00 1.00 C ATOM 730 CG LYS A 49 6.295 -10.079 -1.338 1.00 1.00 C ATOM 731 CD LYS A 49 6.525 -11.557 -1.662 1.00 1.00 C ATOM 732 CE LYS A 49 7.795 -12.075 -0.986 1.00 1.00 C ATOM 733 NZ LYS A 49 7.828 -13.555 -1.009 1.00 1.00 N ATOM 0 H LYS A 49 5.851 -9.134 1.823 1.00 1.00 H new ATOM 0 HA LYS A 49 5.521 -7.858 -0.678 1.00 1.00 H new ATOM 0 HB2 LYS A 49 5.217 -10.548 0.470 1.00 1.00 H new ATOM 0 HB3 LYS A 49 4.186 -10.215 -0.907 1.00 1.00 H new ATOM 0 HG2 LYS A 49 6.124 -9.523 -2.260 1.00 1.00 H new ATOM 0 HG3 LYS A 49 7.189 -9.661 -0.875 1.00 1.00 H new ATOM 0 HD2 LYS A 49 5.668 -12.143 -1.331 1.00 1.00 H new ATOM 0 HD3 LYS A 49 6.604 -11.688 -2.741 1.00 1.00 H new ATOM 0 HE2 LYS A 49 8.673 -11.678 -1.495 1.00 1.00 H new ATOM 0 HE3 LYS A 49 7.836 -11.720 0.044 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 8.697 -13.890 -0.546 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 7.000 -13.929 -0.503 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 7.811 -13.887 -1.994 1.00 1.00 H new ATOM 746 N GLY A 50 3.404 -6.622 -0.138 1.00 1.00 N ATOM 747 CA GLY A 50 2.095 -5.991 -0.169 1.00 1.00 C ATOM 748 C GLY A 50 2.220 -4.480 -0.373 1.00 1.00 C ATOM 749 O GLY A 50 1.500 -3.898 -1.183 1.00 1.00 O ATOM 0 H GLY A 50 4.189 -5.983 -0.264 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.498 -6.422 -0.973 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.567 -6.193 0.763 1.00 1.00 H new ATOM 753 N CYS A 51 3.138 -3.888 0.377 1.00 1.00 N ATOM 754 CA CYS A 51 3.366 -2.455 0.288 1.00 1.00 C ATOM 755 C CYS A 51 4.874 -2.204 0.359 1.00 1.00 C ATOM 756 O CYS A 51 5.443 -1.569 -0.528 1.00 1.00 O ATOM 757 CB CYS A 51 2.609 -1.694 1.378 1.00 1.00 C ATOM 758 SG CYS A 51 0.817 -2.056 1.464 1.00 1.00 S ATOM 0 H CYS A 51 3.732 -4.374 1.049 1.00 1.00 H new ATOM 0 HA CYS A 51 2.980 -2.080 -0.660 1.00 1.00 H new ATOM 0 HB2 CYS A 51 3.059 -1.927 2.343 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.742 -0.625 1.214 1.00 1.00 H new ATOM 0 HG CYS A 51 0.279 -1.360 2.421 1.00 1.00 H new ATOM 763 N LYS A 52 5.477 -2.714 1.422 1.00 1.00 N ATOM 764 CA LYS A 52 6.908 -2.552 1.620 1.00 1.00 C ATOM 765 C LYS A 52 7.659 -3.356 0.557 1.00 1.00 C ATOM 766 O LYS A 52 8.558 -2.834 -0.100 1.00 1.00 O ATOM 767 CB LYS A 52 7.295 -2.918 3.055 1.00 1.00 C ATOM 768 CG LYS A 52 7.959 -1.734 3.761 1.00 1.00 C ATOM 769 CD LYS A 52 9.483 -1.856 3.720 1.00 1.00 C ATOM 770 CE LYS A 52 10.034 -2.314 5.072 1.00 1.00 C ATOM 771 NZ LYS A 52 10.737 -3.609 4.933 1.00 1.00 N ATOM 0 H LYS A 52 5.002 -3.240 2.155 1.00 1.00 H new ATOM 0 HA LYS A 52 7.195 -1.508 1.493 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.407 -3.225 3.608 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.975 -3.769 3.046 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.652 -0.803 3.284 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.622 -1.688 4.797 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.774 -2.566 2.946 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.921 -0.895 3.452 1.00 1.00 H new ATOM 0 HE2 LYS A 52 10.718 -1.562 5.466 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.219 -2.411 5.790 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.105 -3.906 5.859 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 10.074 -4.327 4.577 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.527 -3.505 4.264 1.00 1.00 H new ATOM 784 N GLY A 53 7.263 -4.613 0.421 1.00 1.00 N ATOM 785 CA GLY A 53 7.887 -5.494 -0.551 1.00 1.00 C ATOM 786 C GLY A 53 8.229 -4.737 -1.837 1.00 1.00 C ATOM 787 O GLY A 53 9.350 -4.827 -2.335 1.00 1.00 O ATOM 0 H GLY A 53 6.517 -5.042 0.968 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.794 -5.926 -0.127 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.216 -6.322 -0.780 1.00 1.00 H new ATOM 791 N CYS A 54 7.243 -4.008 -2.336 1.00 1.00 N ATOM 792 CA CYS A 54 7.425 -3.236 -3.554 1.00 1.00 C ATOM 793 C CYS A 54 8.309 -2.030 -3.230 1.00 1.00 C ATOM 794 O CYS A 54 9.182 -1.667 -4.017 1.00 1.00 O ATOM 795 CB CYS A 54 6.086 -2.815 -4.162 1.00 1.00 C ATOM 796 SG CYS A 54 6.353 -2.089 -5.821 1.00 1.00 S ATOM 0 H CYS A 54 6.315 -3.935 -1.919 1.00 1.00 H new ATOM 0 HA CYS A 54 7.914 -3.852 -4.309 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.423 -3.677 -4.236 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.595 -2.090 -3.513 1.00 1.00 H new ATOM 0 HG CYS A 54 5.210 -1.736 -6.330 1.00 1.00 H new ATOM 801 N HIS A 55 8.052 -1.442 -2.071 1.00 1.00 N ATOM 802 CA HIS A 55 8.814 -0.285 -1.633 1.00 1.00 C ATOM 803 C HIS A 55 10.291 -0.661 -1.505 1.00 1.00 C ATOM 804 O HIS A 55 11.164 0.063 -1.981 1.00 1.00 O ATOM 805 CB HIS A 55 8.234 0.290 -0.340 1.00 1.00 C ATOM 806 CG HIS A 55 6.839 0.849 -0.488 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.986 1.032 0.587 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.158 1.265 -1.594 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.846 1.534 0.136 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.954 1.677 -1.216 1.00 1.00 N ATOM 0 H HIS A 55 7.326 -1.745 -1.422 1.00 1.00 H new ATOM 0 HA HIS A 55 8.740 0.506 -2.379 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.223 -0.491 0.420 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.894 1.078 0.023 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.199 0.817 1.561 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.535 1.260 -2.606 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.983 1.786 0.734 1.00 1.00 H new ATOM 818 N GLU A 56 10.526 -1.794 -0.859 1.00 1.00 N ATOM 819 CA GLU A 56 11.883 -2.276 -0.661 1.00 1.00 C ATOM 820 C GLU A 56 12.410 -2.920 -1.945 1.00 1.00 C ATOM 821 O GLU A 56 13.618 -2.962 -2.172 1.00 1.00 O ATOM 822 CB GLU A 56 11.951 -3.256 0.512 1.00 1.00 C ATOM 823 CG GLU A 56 10.750 -4.203 0.506 1.00 1.00 C ATOM 824 CD GLU A 56 11.167 -5.621 0.900 1.00 1.00 C ATOM 825 OE1 GLU A 56 12.303 -6.033 0.619 1.00 1.00 O ATOM 826 OE2 GLU A 56 10.265 -6.303 1.520 1.00 1.00 O ATOM 0 H GLU A 56 9.799 -2.392 -0.466 1.00 1.00 H new ATOM 0 HA GLU A 56 12.518 -1.425 -0.417 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.874 -3.833 0.455 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.978 -2.703 1.451 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.991 -3.838 1.198 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.297 -4.216 -0.486 1.00 1.00 H new ATOM 834 N GLU A 57 11.477 -3.405 -2.752 1.00 1.00 N ATOM 835 CA GLU A 57 11.832 -4.044 -4.007 1.00 1.00 C ATOM 836 C GLU A 57 12.156 -2.990 -5.067 1.00 1.00 C ATOM 837 O GLU A 57 13.072 -3.170 -5.868 1.00 1.00 O ATOM 838 CB GLU A 57 10.715 -4.975 -4.483 1.00 1.00 C ATOM 839 CG GLU A 57 10.989 -5.479 -5.902 1.00 1.00 C ATOM 840 CD GLU A 57 12.287 -6.288 -5.956 1.00 1.00 C ATOM 841 OE1 GLU A 57 13.194 -5.953 -6.732 1.00 1.00 O ATOM 842 OE2 GLU A 57 12.334 -7.297 -5.154 1.00 1.00 O ATOM 0 H GLU A 57 10.476 -3.368 -2.560 1.00 1.00 H new ATOM 0 HA GLU A 57 12.722 -4.652 -3.844 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.628 -5.822 -3.803 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.762 -4.447 -4.458 1.00 1.00 H new ATOM 0 HG2 GLU A 57 10.157 -6.097 -6.239 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.055 -4.633 -6.586 1.00 1.00 H new ATOM 850 N MET A 58 11.387 -1.911 -5.038 1.00 1.00 N ATOM 851 CA MET A 58 11.580 -0.828 -5.986 1.00 1.00 C ATOM 852 C MET A 58 12.494 0.253 -5.405 1.00 1.00 C ATOM 853 O MET A 58 13.374 0.765 -6.096 1.00 1.00 O ATOM 854 CB MET A 58 10.226 -0.213 -6.344 1.00 1.00 C ATOM 855 CG MET A 58 9.353 -1.214 -7.103 1.00 1.00 C ATOM 856 SD MET A 58 8.172 -0.345 -8.121 1.00 1.00 S ATOM 857 CE MET A 58 8.331 -1.271 -9.639 1.00 1.00 C ATOM 0 H MET A 58 10.629 -1.764 -4.372 1.00 1.00 H new ATOM 0 HA MET A 58 12.052 -1.234 -6.881 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.715 0.105 -5.435 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.377 0.678 -6.953 1.00 1.00 H new ATOM 0 HG2 MET A 58 9.978 -1.856 -7.724 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.831 -1.862 -6.398 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.657 -0.858 -10.389 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.358 -1.206 -9.999 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.075 -2.315 -9.457 1.00 1.00 H new ATOM 867 N LYS A 59 12.254 0.568 -4.141 1.00 1.00 N ATOM 868 CA LYS A 59 13.045 1.579 -3.458 1.00 1.00 C ATOM 869 C LYS A 59 12.555 2.968 -3.872 1.00 1.00 C ATOM 870 O LYS A 59 13.356 3.833 -4.225 1.00 1.00 O ATOM 871 CB LYS A 59 14.536 1.352 -3.710 1.00 1.00 C ATOM 872 CG LYS A 59 14.904 -0.123 -3.540 1.00 1.00 C ATOM 873 CD LYS A 59 15.103 -0.472 -2.064 1.00 1.00 C ATOM 874 CE LYS A 59 16.159 -1.567 -1.898 1.00 1.00 C ATOM 875 NZ LYS A 59 17.412 -1.000 -1.351 1.00 1.00 N ATOM 0 H LYS A 59 11.523 0.141 -3.571 1.00 1.00 H new ATOM 0 HA LYS A 59 12.913 1.503 -2.379 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.792 1.680 -4.717 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.121 1.958 -3.019 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.118 -0.749 -3.962 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.817 -0.340 -4.095 1.00 1.00 H new ATOM 0 HD2 LYS A 59 15.407 0.418 -1.514 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.158 -0.805 -1.634 1.00 1.00 H new ATOM 0 HE2 LYS A 59 15.784 -2.344 -1.233 1.00 1.00 H new ATOM 0 HE3 LYS A 59 16.356 -2.039 -2.860 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 18.118 -1.756 -1.245 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 17.777 -0.274 -2.000 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 17.223 -0.570 -0.423 1.00 1.00 H new ATOM 888 N LYS A 60 11.242 3.139 -3.816 1.00 1.00 N ATOM 889 CA LYS A 60 10.636 4.408 -4.180 1.00 1.00 C ATOM 890 C LYS A 60 9.657 4.834 -3.085 1.00 1.00 C ATOM 891 O LYS A 60 9.640 5.996 -2.680 1.00 1.00 O ATOM 892 CB LYS A 60 10.004 4.320 -5.571 1.00 1.00 C ATOM 893 CG LYS A 60 11.069 4.090 -6.644 1.00 1.00 C ATOM 894 CD LYS A 60 10.582 3.089 -7.694 1.00 1.00 C ATOM 895 CE LYS A 60 10.192 3.800 -8.991 1.00 1.00 C ATOM 896 NZ LYS A 60 10.520 2.958 -10.163 1.00 1.00 N ATOM 0 H LYS A 60 10.581 2.419 -3.524 1.00 1.00 H new ATOM 0 HA LYS A 60 11.395 5.187 -4.249 1.00 1.00 H new ATOM 0 HB2 LYS A 60 9.278 3.507 -5.594 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.459 5.239 -5.786 1.00 1.00 H new ATOM 0 HG2 LYS A 60 11.316 5.036 -7.125 1.00 1.00 H new ATOM 0 HG3 LYS A 60 11.984 3.720 -6.180 1.00 1.00 H new ATOM 0 HD2 LYS A 60 11.366 2.359 -7.897 1.00 1.00 H new ATOM 0 HD3 LYS A 60 9.726 2.537 -7.306 1.00 1.00 H new ATOM 0 HE2 LYS A 60 9.125 4.023 -8.984 1.00 1.00 H new ATOM 0 HE3 LYS A 60 10.717 4.753 -9.062 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 10.249 3.456 -11.035 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 11.542 2.766 -10.178 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 10.000 2.059 -10.101 1.00 1.00 H new ATOM 909 N GLY A 61 8.865 3.872 -2.636 1.00 1.00 N ATOM 910 CA GLY A 61 7.885 4.133 -1.595 1.00 1.00 C ATOM 911 C GLY A 61 8.548 4.177 -0.217 1.00 1.00 C ATOM 912 O GLY A 61 9.767 4.107 -0.077 1.00 1.00 O ATOM 0 H GLY A 61 8.882 2.910 -2.974 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.384 5.081 -1.792 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.119 3.358 -1.609 1.00 1.00 H new ATOM 916 N PRO A 62 7.705 4.298 0.811 1.00 1.00 N ATOM 917 CA PRO A 62 8.113 4.358 2.198 1.00 1.00 C ATOM 918 C PRO A 62 8.532 2.972 2.667 1.00 1.00 C ATOM 919 O PRO A 62 7.880 1.997 2.296 1.00 1.00 O ATOM 920 CB PRO A 62 6.874 4.839 2.950 1.00 1.00 C ATOM 921 CG PRO A 62 5.729 4.145 2.091 1.00 1.00 C ATOM 922 CD PRO A 62 6.266 4.383 0.682 1.00 1.00 C ATOM 0 HA PRO A 62 8.963 5.020 2.362 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.867 4.513 3.990 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.788 5.926 2.956 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.621 3.085 2.321 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.754 4.606 2.248 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.887 3.636 -0.016 1.00 1.00 H new ATOM 0 HD3 PRO A 62 5.961 5.358 0.303 1.00 1.00 H new ATOM 930 N THR A 63 9.592 2.908 3.459 1.00 1.00 N ATOM 931 CA THR A 63 10.076 1.634 3.961 1.00 1.00 C ATOM 932 C THR A 63 10.514 1.767 5.421 1.00 1.00 C ATOM 933 O THR A 63 11.405 1.050 5.874 1.00 1.00 O ATOM 934 CB THR A 63 11.194 1.153 3.034 1.00 1.00 C ATOM 935 OG1 THR A 63 11.858 2.351 2.641 1.00 1.00 O ATOM 936 CG2 THR A 63 10.658 0.577 1.721 1.00 1.00 C ATOM 0 H THR A 63 10.130 3.719 3.766 1.00 1.00 H new ATOM 0 HA THR A 63 9.286 0.883 3.958 1.00 1.00 H new ATOM 0 HB THR A 63 11.790 0.398 3.546 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.599 2.132 2.039 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.492 0.250 1.100 1.00 1.00 H new ATOM 0 HG22 THR A 63 10.010 -0.273 1.934 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.090 1.343 1.193 1.00 1.00 H new ATOM 944 N LYS A 64 9.866 2.690 6.118 1.00 1.00 N ATOM 945 CA LYS A 64 10.177 2.927 7.517 1.00 1.00 C ATOM 946 C LYS A 64 8.876 3.131 8.297 1.00 1.00 C ATOM 947 O LYS A 64 7.865 3.538 7.728 1.00 1.00 O ATOM 948 CB LYS A 64 11.167 4.085 7.658 1.00 1.00 C ATOM 949 CG LYS A 64 12.405 3.656 8.447 1.00 1.00 C ATOM 950 CD LYS A 64 13.338 4.843 8.692 1.00 1.00 C ATOM 951 CE LYS A 64 13.237 5.330 10.139 1.00 1.00 C ATOM 952 NZ LYS A 64 14.566 5.295 10.791 1.00 1.00 N ATOM 0 H LYS A 64 9.127 3.282 5.739 1.00 1.00 H new ATOM 0 HA LYS A 64 10.675 2.059 7.949 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.465 4.436 6.670 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.683 4.922 8.161 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.101 3.225 9.401 1.00 1.00 H new ATOM 0 HG3 LYS A 64 12.937 2.877 7.900 1.00 1.00 H new ATOM 0 HD2 LYS A 64 14.366 4.554 8.473 1.00 1.00 H new ATOM 0 HD3 LYS A 64 13.084 5.656 8.012 1.00 1.00 H new ATOM 0 HE2 LYS A 64 12.841 6.345 10.161 1.00 1.00 H new ATOM 0 HE3 LYS A 64 12.537 4.703 10.692 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 14.480 5.628 11.772 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 14.929 4.320 10.787 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 15.224 5.911 10.272 1.00 1.00 H new ATOM 965 N CYS A 65 8.945 2.838 9.587 1.00 1.00 N ATOM 966 CA CYS A 65 7.786 2.984 10.450 1.00 1.00 C ATOM 967 C CYS A 65 7.316 4.439 10.382 1.00 1.00 C ATOM 968 O CYS A 65 6.118 4.705 10.307 1.00 1.00 O ATOM 969 CB CYS A 65 8.090 2.550 11.886 1.00 1.00 C ATOM 970 SG CYS A 65 9.181 1.087 12.030 1.00 1.00 S ATOM 0 H CYS A 65 9.786 2.500 10.055 1.00 1.00 H new ATOM 0 HA CYS A 65 6.988 2.328 10.103 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.553 3.384 12.413 1.00 1.00 H new ATOM 0 HB3 CYS A 65 7.149 2.336 12.393 1.00 1.00 H new ATOM 0 HG CYS A 65 9.373 0.811 13.286 1.00 1.00 H new ATOM 975 N GLY A 66 8.285 5.342 10.410 1.00 1.00 N ATOM 976 CA GLY A 66 7.986 6.763 10.351 1.00 1.00 C ATOM 977 C GLY A 66 7.883 7.242 8.902 1.00 1.00 C ATOM 978 O GLY A 66 7.937 8.442 8.636 1.00 1.00 O ATOM 0 H GLY A 66 9.278 5.117 10.473 1.00 1.00 H new ATOM 0 HA2 GLY A 66 7.049 6.963 10.871 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.764 7.324 10.869 1.00 1.00 H new ATOM 982 N GLU A 67 7.738 6.280 8.003 1.00 1.00 N ATOM 983 CA GLU A 67 7.627 6.590 6.588 1.00 1.00 C ATOM 984 C GLU A 67 6.257 6.163 6.057 1.00 1.00 C ATOM 985 O GLU A 67 5.961 6.342 4.876 1.00 1.00 O ATOM 986 CB GLU A 67 8.753 5.928 5.792 1.00 1.00 C ATOM 987 CG GLU A 67 9.596 6.975 5.060 1.00 1.00 C ATOM 988 CD GLU A 67 10.272 6.370 3.828 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.972 5.353 3.941 1.00 1.00 O ATOM 990 OE2 GLU A 67 10.049 6.995 2.722 1.00 1.00 O ATOM 0 H GLU A 67 7.695 5.286 8.227 1.00 1.00 H new ATOM 0 HA GLU A 67 7.724 7.669 6.464 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.387 5.350 6.464 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.331 5.227 5.072 1.00 1.00 H new ATOM 0 HG2 GLU A 67 8.964 7.810 4.759 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.353 7.375 5.735 1.00 1.00 H new ATOM 998 N CYS A 68 5.457 5.607 6.955 1.00 1.00 N ATOM 999 CA CYS A 68 4.125 5.153 6.591 1.00 1.00 C ATOM 1000 C CYS A 68 3.141 5.652 7.651 1.00 1.00 C ATOM 1001 O CYS A 68 2.234 6.424 7.347 1.00 1.00 O ATOM 1002 CB CYS A 68 4.069 3.632 6.432 1.00 1.00 C ATOM 1003 SG CYS A 68 3.950 3.192 4.660 1.00 1.00 S ATOM 0 H CYS A 68 5.705 5.461 7.933 1.00 1.00 H new ATOM 0 HA CYS A 68 3.851 5.564 5.619 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.959 3.179 6.869 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.211 3.233 6.973 1.00 1.00 H new ATOM 0 HG CYS A 68 3.905 1.899 4.536 1.00 1.00 H new ATOM 1008 N HIS A 69 3.356 5.191 8.875 1.00 1.00 N ATOM 1009 CA HIS A 69 2.499 5.582 9.982 1.00 1.00 C ATOM 1010 C HIS A 69 2.773 7.040 10.353 1.00 1.00 C ATOM 1011 O HIS A 69 3.823 7.356 10.910 1.00 1.00 O ATOM 1012 CB HIS A 69 2.671 4.626 11.165 1.00 1.00 C ATOM 1013 CG HIS A 69 2.310 3.194 10.855 1.00 1.00 C ATOM 1014 ND1 HIS A 69 1.002 2.763 10.717 1.00 1.00 N ATOM 1015 CD2 HIS A 69 3.098 2.098 10.657 1.00 1.00 C ATOM 1016 CE1 HIS A 69 1.014 1.466 10.449 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.314 1.055 10.413 1.00 1.00 N ATOM 0 H HIS A 69 4.110 4.551 9.124 1.00 1.00 H new ATOM 0 HA HIS A 69 1.454 5.511 9.681 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.707 4.664 11.502 1.00 1.00 H new ATOM 0 HB3 HIS A 69 2.054 4.974 11.993 1.00 1.00 H new ATOM 0 HD1 HIS A 69 0.170 3.346 10.807 1.00 1.00 H new ATOM 0 HD2 HIS A 69 4.177 2.082 10.693 1.00 1.00 H new ATOM 0 HE1 HIS A 69 0.147 0.843 10.287 1.00 1.00 H new ATOM 1025 N LYS A 70 1.810 7.891 10.029 1.00 1.00 N ATOM 1026 CA LYS A 70 1.934 9.308 10.322 1.00 1.00 C ATOM 1027 C LYS A 70 0.672 9.788 11.042 1.00 1.00 C ATOM 1028 O LYS A 70 -0.375 9.960 10.419 1.00 1.00 O ATOM 1029 CB LYS A 70 2.250 10.093 9.047 1.00 1.00 C ATOM 1030 CG LYS A 70 3.390 9.434 8.267 1.00 1.00 C ATOM 1031 CD LYS A 70 3.276 9.735 6.771 1.00 1.00 C ATOM 1032 CE LYS A 70 4.655 9.975 6.153 1.00 1.00 C ATOM 1033 NZ LYS A 70 4.827 9.154 4.934 1.00 1.00 N ATOM 0 H LYS A 70 0.941 7.626 9.566 1.00 1.00 H new ATOM 0 HA LYS A 70 2.773 9.486 10.995 1.00 1.00 H new ATOM 0 HB2 LYS A 70 1.360 10.149 8.420 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.524 11.116 9.304 1.00 1.00 H new ATOM 0 HG2 LYS A 70 4.348 9.794 8.642 1.00 1.00 H new ATOM 0 HG3 LYS A 70 3.370 8.356 8.427 1.00 1.00 H new ATOM 0 HD2 LYS A 70 2.787 8.903 6.265 1.00 1.00 H new ATOM 0 HD3 LYS A 70 2.648 10.613 6.620 1.00 1.00 H new ATOM 0 HE2 LYS A 70 4.771 11.031 5.907 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.432 9.729 6.877 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 5.724 9.403 4.471 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 4.839 8.147 5.193 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 4.039 9.334 4.280 1.00 1.00 H new ATOM 1046 N LYS A 71 0.813 9.992 12.343 1.00 1.00 N ATOM 1047 CA LYS A 71 -0.302 10.449 13.155 1.00 1.00 C ATOM 1048 C LYS A 71 -0.772 11.813 12.646 1.00 1.00 C ATOM 1049 O LYS A 71 -1.966 12.109 12.666 1.00 1.00 O ATOM 1050 CB LYS A 71 0.076 10.443 14.637 1.00 1.00 C ATOM 1051 CG LYS A 71 -0.838 11.371 15.440 1.00 1.00 C ATOM 1052 CD LYS A 71 -1.285 10.707 16.744 1.00 1.00 C ATOM 1053 CE LYS A 71 -2.780 10.920 16.984 1.00 1.00 C ATOM 1054 NZ LYS A 71 -3.214 10.215 18.211 1.00 1.00 N ATOM 0 H LYS A 71 1.683 9.849 12.856 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.146 9.765 13.063 1.00 1.00 H new ATOM 0 HB2 LYS A 71 0.006 9.429 15.030 1.00 1.00 H new ATOM 0 HB3 LYS A 71 1.113 10.759 14.753 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -0.314 12.300 15.662 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -1.712 11.633 14.843 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -1.068 9.640 16.706 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -0.717 11.118 17.579 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -2.991 11.985 17.076 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -3.347 10.555 16.128 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -4.232 10.370 18.359 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -3.030 9.196 18.110 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -2.685 10.582 19.028 1.00 1.00 H new