USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=16 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 29 LYS NZ :NH3+ 170:sc= -1.16 (180deg=-1.25) USER MOD Set 1.2: A 31 GLN :FLIP amide:sc= 0 F(o=-1.9,f=-1.2) USER MOD Set 2.1: A 10 HIS : no HD1:sc= 0 X(o=-0.0058,f=-0.022) USER MOD Set 2.2: A 27 GLN : amide:sc=-0.00579 X(o=-0.0058,f=-0.019) USER MOD Single : A 1 GLN : amide:sc=0.000978 K(o=0.00098,f=-2) USER MOD Single : A 1 GLN N :NH3+ -170:sc= 0.157 (180deg=-0.0491) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0292) USER MOD Single : A 12 ASN : amide:sc= 0.394 X(o=0.39,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.2) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00524) USER MOD Single : A 24 TYR OH : rot 105:sc= 0.323 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0192 USER MOD Single : A 26 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.053) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0192) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.582 F(o=-1.3,f=-0.58) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.67 K(o=-2.7,f=-3.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -120:sc= -0.0509 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -14.850 -1.618 -7.172 1.00 0.00 N ATOM 2 CA GLN A 1 -14.448 -3.000 -7.512 1.00 0.00 C ATOM 3 C GLN A 1 -14.503 -3.914 -6.269 1.00 0.00 C ATOM 4 O GLN A 1 -14.538 -3.409 -5.146 1.00 0.00 O ATOM 5 CB GLN A 1 -13.025 -3.024 -8.109 1.00 0.00 C ATOM 6 CG GLN A 1 -12.824 -2.093 -9.317 1.00 0.00 C ATOM 7 CD GLN A 1 -11.375 -2.117 -9.823 1.00 0.00 C ATOM 8 OE1 GLN A 1 -10.730 -3.164 -9.834 1.00 0.00 O ATOM 9 NE2 GLN A 1 -10.853 -0.960 -10.243 1.00 0.00 N ATOM 0 H1 GLN A 1 -14.969 -1.066 -8.045 1.00 0.00 H new ATOM 0 H2 GLN A 1 -15.749 -1.637 -6.649 1.00 0.00 H new ATOM 0 H3 GLN A 1 -14.115 -1.178 -6.582 1.00 0.00 H new ATOM 0 HA GLN A 1 -15.152 -3.375 -8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -12.314 -2.747 -7.331 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -12.788 -4.045 -8.410 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -13.495 -2.393 -10.122 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -13.095 -1.074 -9.039 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -11.415 -0.109 -10.221 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -9.893 -0.928 -10.586 1.00 0.00 H new ATOM 20 N PRO A 2 -14.506 -5.254 -6.424 1.00 0.00 N ATOM 21 CA PRO A 2 -14.531 -6.186 -5.296 1.00 0.00 C ATOM 22 C PRO A 2 -13.321 -5.999 -4.364 1.00 0.00 C ATOM 23 O PRO A 2 -12.245 -5.595 -4.811 1.00 0.00 O ATOM 24 CB PRO A 2 -14.540 -7.592 -5.913 1.00 0.00 C ATOM 25 CG PRO A 2 -15.174 -7.363 -7.284 1.00 0.00 C ATOM 26 CD PRO A 2 -14.624 -5.991 -7.676 1.00 0.00 C ATOM 0 HA PRO A 2 -15.408 -6.013 -4.672 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.534 -8.002 -5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.120 -8.292 -5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.887 -8.135 -7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -16.263 -7.365 -7.233 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.658 -6.081 -8.172 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.293 -5.483 -8.371 1.00 0.00 H new ATOM 34 N LEU A 3 -13.500 -6.294 -3.067 1.00 0.00 N ATOM 35 CA LEU A 3 -12.454 -6.180 -2.052 1.00 0.00 C ATOM 36 C LEU A 3 -11.493 -7.360 -2.252 1.00 0.00 C ATOM 37 O LEU A 3 -11.846 -8.505 -1.968 1.00 0.00 O ATOM 38 CB LEU A 3 -13.081 -6.170 -0.649 1.00 0.00 C ATOM 39 CG LEU A 3 -12.252 -5.419 0.409 1.00 0.00 C ATOM 40 CD1 LEU A 3 -12.984 -5.451 1.759 1.00 0.00 C ATOM 41 CD2 LEU A 3 -10.830 -5.978 0.572 1.00 0.00 C ATOM 0 H LEU A 3 -14.390 -6.623 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.901 -5.246 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.070 -5.716 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.223 -7.199 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.147 -4.392 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.394 -4.919 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.958 -4.972 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.120 -6.485 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.299 -5.405 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.883 -7.023 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.299 -5.903 -0.377 1.00 0.00 H new ATOM 53 N ARG A 4 -10.283 -7.078 -2.747 1.00 0.00 N ATOM 54 CA ARG A 4 -9.259 -8.057 -3.048 1.00 0.00 C ATOM 55 C ARG A 4 -8.331 -8.322 -1.862 1.00 0.00 C ATOM 56 O ARG A 4 -8.358 -7.650 -0.830 1.00 0.00 O ATOM 57 CB ARG A 4 -8.475 -7.539 -4.254 1.00 0.00 C ATOM 58 CG ARG A 4 -9.234 -7.772 -5.571 1.00 0.00 C ATOM 59 CD ARG A 4 -8.394 -7.403 -6.803 1.00 0.00 C ATOM 60 NE ARG A 4 -9.216 -7.329 -8.023 1.00 0.00 N ATOM 61 CZ ARG A 4 -10.033 -6.314 -8.368 1.00 0.00 C ATOM 62 NH1 ARG A 4 -10.212 -5.250 -7.568 1.00 0.00 N ATOM 63 NH2 ARG A 4 -10.684 -6.362 -9.539 1.00 0.00 N ATOM 0 H ARG A 4 -9.989 -6.123 -2.953 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.729 -9.015 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.280 -6.474 -4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.507 -8.037 -4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.530 -8.819 -5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -10.150 -7.181 -5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.905 -6.443 -6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.605 -8.143 -6.940 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.162 -8.119 -8.666 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.723 -5.196 -6.674 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.836 -4.496 -7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.559 -7.162 -10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.305 -5.599 -9.809 1.00 0.00 H new ATOM 77 N LYS A 5 -7.517 -9.361 -2.067 1.00 0.00 N ATOM 78 CA LYS A 5 -6.517 -9.879 -1.140 1.00 0.00 C ATOM 79 C LYS A 5 -5.146 -9.240 -1.325 1.00 0.00 C ATOM 80 O LYS A 5 -4.285 -9.400 -0.461 1.00 0.00 O ATOM 81 CB LYS A 5 -6.453 -11.414 -1.226 1.00 0.00 C ATOM 82 CG LYS A 5 -7.787 -12.064 -0.825 1.00 0.00 C ATOM 83 CD LYS A 5 -7.677 -13.597 -0.847 1.00 0.00 C ATOM 84 CE LYS A 5 -9.004 -14.281 -0.483 1.00 0.00 C ATOM 85 NZ LYS A 5 -9.410 -14.011 0.908 1.00 0.00 N ATOM 0 H LYS A 5 -7.543 -9.892 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.833 -9.603 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.195 -11.711 -2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.659 -11.782 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.074 -11.730 0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.573 -11.742 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.363 -13.923 -1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.903 -13.914 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.785 -13.937 -1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.907 -15.357 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.264 -14.560 1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.642 -14.285 1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.611 -12.997 1.020 1.00 0.00 H new ATOM 99 N LEU A 6 -4.919 -8.540 -2.442 1.00 0.00 N ATOM 100 CA LEU A 6 -3.662 -7.832 -2.651 1.00 0.00 C ATOM 101 C LEU A 6 -3.542 -6.704 -1.634 1.00 0.00 C ATOM 102 O LEU A 6 -2.438 -6.344 -1.224 1.00 0.00 O ATOM 103 CB LEU A 6 -3.585 -7.208 -4.049 1.00 0.00 C ATOM 104 CG LEU A 6 -2.144 -6.846 -4.445 1.00 0.00 C ATOM 105 CD1 LEU A 6 -1.313 -8.132 -4.544 1.00 0.00 C ATOM 106 CD2 LEU A 6 -2.146 -6.067 -5.766 1.00 0.00 C ATOM 0 H LEU A 6 -5.587 -8.452 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.857 -8.558 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.996 -7.905 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.204 -6.312 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.694 -6.205 -3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.290 -7.883 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.312 -8.639 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.747 -8.788 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.122 -5.814 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.591 -6.681 -6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.727 -5.152 -5.648 1.00 0.00 H new ATOM 118 N CYS A 7 -4.706 -6.171 -1.238 1.00 0.00 N ATOM 119 CA CYS A 7 -4.794 -5.077 -0.289 1.00 0.00 C ATOM 120 C CYS A 7 -5.053 -5.636 1.114 1.00 0.00 C ATOM 121 O CYS A 7 -5.916 -5.160 1.851 1.00 0.00 O ATOM 122 CB CYS A 7 -5.833 -4.069 -0.787 1.00 0.00 C ATOM 123 SG CYS A 7 -5.544 -2.446 -0.054 1.00 0.00 S ATOM 0 H CYS A 7 -5.612 -6.496 -1.575 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.855 -4.528 -0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.786 -3.997 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.835 -4.416 -0.533 1.00 0.00 H new ATOM 128 N ILE A 8 -4.260 -6.660 1.453 1.00 0.00 N ATOM 129 CA ILE A 8 -4.244 -7.397 2.712 1.00 0.00 C ATOM 130 C ILE A 8 -2.785 -7.639 3.148 1.00 0.00 C ATOM 131 O ILE A 8 -2.556 -7.923 4.323 1.00 0.00 O ATOM 132 CB ILE A 8 -5.094 -8.695 2.569 1.00 0.00 C ATOM 133 CG1 ILE A 8 -6.158 -8.813 3.678 1.00 0.00 C ATOM 134 CG2 ILE A 8 -4.251 -9.987 2.581 1.00 0.00 C ATOM 135 CD1 ILE A 8 -7.253 -7.740 3.591 1.00 0.00 C ATOM 0 H ILE A 8 -3.562 -7.018 0.801 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.708 -6.820 3.512 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.572 -8.599 1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.621 -9.798 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.668 -8.744 4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.908 -10.851 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.544 -9.968 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.705 -10.057 3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.968 -7.883 4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.801 -6.752 3.676 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.768 -7.823 2.634 1.00 0.00 H new ATOM 147 N LEU A 9 -1.801 -7.528 2.230 1.00 0.00 N ATOM 148 CA LEU A 9 -0.377 -7.715 2.522 1.00 0.00 C ATOM 149 C LEU A 9 0.182 -6.699 3.536 1.00 0.00 C ATOM 150 O LEU A 9 1.256 -6.926 4.093 1.00 0.00 O ATOM 151 CB LEU A 9 0.433 -7.650 1.213 1.00 0.00 C ATOM 152 CG LEU A 9 0.021 -8.678 0.139 1.00 0.00 C ATOM 153 CD1 LEU A 9 0.898 -8.480 -1.107 1.00 0.00 C ATOM 154 CD2 LEU A 9 0.152 -10.126 0.638 1.00 0.00 C ATOM 0 H LEU A 9 -1.984 -7.302 1.252 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.279 -8.697 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.336 -6.649 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.487 -7.796 1.448 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.029 -8.511 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.613 -9.203 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.759 -7.470 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.945 -8.626 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.149 -10.812 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.188 -10.323 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.489 -10.271 1.507 1.00 0.00 H new ATOM 166 N HIS A 10 -0.537 -5.590 3.764 1.00 0.00 N ATOM 167 CA HIS A 10 -0.209 -4.497 4.683 1.00 0.00 C ATOM 168 C HIS A 10 1.087 -3.772 4.270 1.00 0.00 C ATOM 169 O HIS A 10 1.644 -4.020 3.198 1.00 0.00 O ATOM 170 CB HIS A 10 -0.133 -5.024 6.135 1.00 0.00 C ATOM 171 CG HIS A 10 -1.329 -5.830 6.591 1.00 0.00 C ATOM 172 ND1 HIS A 10 -2.628 -5.326 6.509 1.00 0.00 N ATOM 173 CD2 HIS A 10 -1.377 -7.090 7.129 1.00 0.00 C ATOM 174 CE1 HIS A 10 -3.403 -6.297 7.000 1.00 0.00 C ATOM 175 NE2 HIS A 10 -2.701 -7.375 7.387 1.00 0.00 N ATOM 0 H HIS A 10 -1.419 -5.425 3.279 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.008 -3.758 4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.760 -5.641 6.234 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.010 -4.175 6.807 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.534 -7.739 7.316 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.478 -6.223 7.077 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -3.074 -8.234 7.792 1.00 0.00 H new ATOM 183 N ARG A 11 1.561 -2.857 5.130 1.00 0.00 N ATOM 184 CA ARG A 11 2.774 -2.078 4.923 1.00 0.00 C ATOM 185 C ARG A 11 3.994 -2.968 5.194 1.00 0.00 C ATOM 186 O ARG A 11 4.350 -3.204 6.348 1.00 0.00 O ATOM 187 CB ARG A 11 2.715 -0.793 5.775 1.00 0.00 C ATOM 188 CG ARG A 11 4.005 0.038 5.756 1.00 0.00 C ATOM 189 CD ARG A 11 3.763 1.446 6.303 1.00 0.00 C ATOM 190 NE ARG A 11 3.350 1.436 7.715 1.00 0.00 N ATOM 191 CZ ARG A 11 2.645 2.403 8.333 1.00 0.00 C ATOM 192 NH1 ARG A 11 2.284 3.525 7.691 1.00 0.00 N ATOM 193 NH2 ARG A 11 2.296 2.242 9.617 1.00 0.00 N ATOM 0 H ARG A 11 1.093 -2.639 6.009 1.00 0.00 H new ATOM 0 HA ARG A 11 2.864 -1.743 3.890 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.892 -0.173 5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.487 -1.065 6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.770 -0.460 6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.385 0.101 4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.674 2.035 6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.995 1.938 5.706 1.00 0.00 H new ATOM 0 HE ARG A 11 3.621 0.627 8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.543 3.659 6.714 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.750 4.243 8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.564 1.394 10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.762 2.968 10.095 1.00 0.00 H new ATOM 207 N ASN A 12 4.621 -3.453 4.105 1.00 0.00 N ATOM 208 CA ASN A 12 5.812 -4.301 4.100 1.00 0.00 C ATOM 209 C ASN A 12 6.914 -3.632 3.245 1.00 0.00 C ATOM 210 O ASN A 12 7.319 -4.210 2.235 1.00 0.00 O ATOM 211 CB ASN A 12 5.420 -5.696 3.551 1.00 0.00 C ATOM 212 CG ASN A 12 6.366 -6.811 4.011 1.00 0.00 C ATOM 213 OD1 ASN A 12 5.964 -7.699 4.760 1.00 0.00 O ATOM 214 ND2 ASN A 12 7.625 -6.775 3.568 1.00 0.00 N ATOM 0 H ASN A 12 4.288 -3.250 3.162 1.00 0.00 H new ATOM 0 HA ASN A 12 6.208 -4.426 5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.405 -5.934 3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.411 -5.662 2.462 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.286 -7.499 3.850 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.926 -6.024 2.947 1.00 0.00 H new ATOM 221 N PRO A 13 7.414 -2.429 3.613 1.00 0.00 N ATOM 222 CA PRO A 13 8.443 -1.688 2.888 1.00 0.00 C ATOM 223 C PRO A 13 9.585 -2.568 2.388 1.00 0.00 C ATOM 224 O PRO A 13 9.865 -2.638 1.193 1.00 0.00 O ATOM 225 CB PRO A 13 8.920 -0.586 3.846 1.00 0.00 C ATOM 226 CG PRO A 13 7.673 -0.281 4.661 1.00 0.00 C ATOM 227 CD PRO A 13 6.979 -1.638 4.751 1.00 0.00 C ATOM 0 HA PRO A 13 8.033 -1.264 1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.741 -0.927 4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.275 0.292 3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.922 0.111 5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.043 0.462 4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.235 -2.138 5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.896 -1.516 4.741 1.00 0.00 H new ATOM 235 N GLY A 14 10.192 -3.261 3.347 1.00 0.00 N ATOM 236 CA GLY A 14 11.299 -4.184 3.174 1.00 0.00 C ATOM 237 C GLY A 14 12.632 -3.500 3.456 1.00 0.00 C ATOM 238 O GLY A 14 12.977 -2.533 2.784 1.00 0.00 O ATOM 0 H GLY A 14 9.904 -3.186 4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.175 -5.035 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.295 -4.575 2.157 1.00 0.00 H new ATOM 242 N ARG A 15 13.399 -4.013 4.427 1.00 0.00 N ATOM 243 CA ARG A 15 14.704 -3.464 4.797 1.00 0.00 C ATOM 244 C ARG A 15 15.651 -3.682 3.605 1.00 0.00 C ATOM 245 O ARG A 15 16.176 -4.782 3.429 1.00 0.00 O ATOM 246 CB ARG A 15 15.200 -4.132 6.098 1.00 0.00 C ATOM 247 CG ARG A 15 16.317 -3.353 6.822 1.00 0.00 C ATOM 248 CD ARG A 15 17.629 -3.188 6.039 1.00 0.00 C ATOM 249 NE ARG A 15 18.167 -4.474 5.567 1.00 0.00 N ATOM 250 CZ ARG A 15 18.847 -5.373 6.302 1.00 0.00 C ATOM 251 NH1 ARG A 15 19.121 -5.156 7.598 1.00 0.00 N ATOM 252 NH2 ARG A 15 19.257 -6.512 5.727 1.00 0.00 N ATOM 0 H ARG A 15 13.127 -4.826 4.980 1.00 0.00 H new ATOM 0 HA ARG A 15 14.653 -2.395 5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 15 14.356 -4.250 6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 15 15.563 -5.133 5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 15 15.939 -2.362 7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 15 16.537 -3.859 7.762 1.00 0.00 H new ATOM 0 HD2 ARG A 15 17.459 -2.533 5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 15 18.368 -2.699 6.673 1.00 0.00 H new ATOM 0 HE ARG A 15 18.009 -4.707 4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 15 18.812 -4.294 8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 15 19.638 -5.853 8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 15 19.053 -6.689 4.743 1.00 0.00 H new ATOM 0 HH22 ARG A 15 19.773 -7.202 6.273 1.00 0.00 H new ATOM 266 N CYS A 16 15.845 -2.641 2.776 1.00 0.00 N ATOM 267 CA CYS A 16 16.693 -2.713 1.589 1.00 0.00 C ATOM 268 C CYS A 16 17.351 -1.350 1.372 1.00 0.00 C ATOM 269 O CYS A 16 18.559 -1.206 1.563 1.00 0.00 O ATOM 270 CB CYS A 16 15.869 -3.283 0.418 1.00 0.00 C ATOM 271 SG CYS A 16 16.795 -4.017 -0.967 1.00 0.00 S ATOM 0 H CYS A 16 15.414 -1.727 2.917 1.00 0.00 H new ATOM 0 HA CYS A 16 17.526 -3.407 1.697 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.196 -4.043 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.246 -2.482 0.021 1.00 0.00 H new ATOM 276 N TYR A 17 16.548 -0.353 1.003 1.00 0.00 N ATOM 277 CA TYR A 17 16.982 1.018 0.764 1.00 0.00 C ATOM 278 C TYR A 17 15.810 2.007 0.951 1.00 0.00 C ATOM 279 O TYR A 17 15.369 2.204 2.083 1.00 0.00 O ATOM 280 CB TYR A 17 17.757 1.130 -0.577 1.00 0.00 C ATOM 281 CG TYR A 17 17.085 0.744 -1.898 1.00 0.00 C ATOM 282 CD1 TYR A 17 16.425 -0.495 -2.055 1.00 0.00 C ATOM 283 CD2 TYR A 17 17.171 1.618 -3.007 1.00 0.00 C ATOM 284 CE1 TYR A 17 15.805 -0.836 -3.273 1.00 0.00 C ATOM 285 CE2 TYR A 17 16.622 1.243 -4.251 1.00 0.00 C ATOM 286 CZ TYR A 17 15.903 0.036 -4.377 1.00 0.00 C ATOM 287 OH TYR A 17 15.308 -0.287 -5.564 1.00 0.00 O ATOM 0 H TYR A 17 15.547 -0.484 0.858 1.00 0.00 H new ATOM 0 HA TYR A 17 17.709 1.316 1.519 1.00 0.00 H new ATOM 0 HB2 TYR A 17 18.085 2.165 -0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 17 18.654 0.519 -0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 17 16.395 -1.191 -1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.659 2.576 -2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 17 15.256 -1.762 -3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.753 1.883 -5.111 1.00 0.00 H new ATOM 0 HH TYR A 17 15.473 0.425 -6.217 1.00 0.00 H new ATOM 297 N GLN A 18 15.311 2.611 -0.138 1.00 0.00 N ATOM 298 CA GLN A 18 14.240 3.619 -0.210 1.00 0.00 C ATOM 299 C GLN A 18 14.088 4.012 -1.683 1.00 0.00 C ATOM 300 O GLN A 18 15.036 4.581 -2.229 1.00 0.00 O ATOM 301 CB GLN A 18 14.603 4.852 0.654 1.00 0.00 C ATOM 302 CG GLN A 18 13.476 5.893 0.760 1.00 0.00 C ATOM 303 CD GLN A 18 13.199 6.653 -0.542 1.00 0.00 C ATOM 304 OE1 GLN A 18 12.133 6.510 -1.136 1.00 0.00 O ATOM 305 NE2 GLN A 18 14.160 7.466 -0.990 1.00 0.00 N ATOM 0 H GLN A 18 15.674 2.390 -1.065 1.00 0.00 H new ATOM 0 HA GLN A 18 13.302 3.219 0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.869 4.515 1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.488 5.330 0.233 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.562 5.391 1.076 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.732 6.611 1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.032 7.559 -0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.021 7.993 -1.852 1.00 0.00 H new ATOM 314 N LYS A 19 12.937 3.741 -2.341 1.00 0.00 N ATOM 315 CA LYS A 19 12.817 4.078 -3.760 1.00 0.00 C ATOM 316 C LYS A 19 11.435 4.199 -4.408 1.00 0.00 C ATOM 317 O LYS A 19 11.377 4.736 -5.515 1.00 0.00 O ATOM 318 CB LYS A 19 13.577 2.968 -4.503 1.00 0.00 C ATOM 319 CG LYS A 19 13.914 3.215 -5.977 1.00 0.00 C ATOM 320 CD LYS A 19 14.750 4.490 -6.157 1.00 0.00 C ATOM 321 CE LYS A 19 15.378 4.577 -7.555 1.00 0.00 C ATOM 322 NZ LYS A 19 14.360 4.650 -8.618 1.00 0.00 N ATOM 0 H LYS A 19 12.113 3.307 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 19 13.197 5.097 -3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.509 2.782 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.986 2.054 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.462 2.360 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.992 3.299 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.119 5.363 -5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.538 4.516 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.021 5.456 -7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.013 3.707 -7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.829 4.742 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.783 3.785 -8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.748 5.476 -8.457 1.00 0.00 H new ATOM 336 N ILE A 20 10.340 3.740 -3.788 1.00 0.00 N ATOM 337 CA ILE A 20 9.031 3.773 -4.471 1.00 0.00 C ATOM 338 C ILE A 20 7.947 4.358 -3.561 1.00 0.00 C ATOM 339 O ILE A 20 6.992 3.657 -3.225 1.00 0.00 O ATOM 340 CB ILE A 20 8.674 2.341 -4.994 1.00 0.00 C ATOM 341 CG1 ILE A 20 9.789 1.648 -5.816 1.00 0.00 C ATOM 342 CG2 ILE A 20 7.395 2.317 -5.853 1.00 0.00 C ATOM 343 CD1 ILE A 20 9.964 2.122 -7.260 1.00 0.00 C ATOM 0 H ILE A 20 10.326 3.352 -2.845 1.00 0.00 H new ATOM 0 HA ILE A 20 9.090 4.436 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 20 8.529 1.786 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.735 1.787 -5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.588 0.577 -5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.200 1.298 -6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.552 2.673 -5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.527 2.963 -6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.773 1.563 -7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.039 1.956 -7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.205 3.185 -7.267 1.00 0.00 H new ATOM 355 N PRO A 21 8.039 5.640 -3.154 1.00 0.00 N ATOM 356 CA PRO A 21 7.012 6.218 -2.317 1.00 0.00 C ATOM 357 C PRO A 21 5.693 6.288 -3.065 1.00 0.00 C ATOM 358 O PRO A 21 5.601 6.793 -4.185 1.00 0.00 O ATOM 359 CB PRO A 21 7.469 7.580 -1.854 1.00 0.00 C ATOM 360 CG PRO A 21 8.636 7.920 -2.791 1.00 0.00 C ATOM 361 CD PRO A 21 9.141 6.570 -3.323 1.00 0.00 C ATOM 0 HA PRO A 21 6.847 5.590 -1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.669 8.316 -1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.787 7.561 -0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.310 8.566 -3.606 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.425 8.452 -2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.431 6.647 -4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.021 6.237 -2.773 1.00 0.00 H new ATOM 369 N ALA A 22 4.694 5.728 -2.393 1.00 0.00 N ATOM 370 CA ALA A 22 3.323 5.648 -2.918 1.00 0.00 C ATOM 371 C ALA A 22 2.318 5.407 -1.798 1.00 0.00 C ATOM 372 O ALA A 22 2.717 5.109 -0.678 1.00 0.00 O ATOM 373 CB ALA A 22 3.245 4.525 -3.965 1.00 0.00 C ATOM 0 H ALA A 22 4.805 5.314 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 22 3.070 6.599 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.230 4.463 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.936 4.739 -4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.514 3.576 -3.501 1.00 0.00 H new ATOM 379 N PHE A 23 1.008 5.507 -2.074 1.00 0.00 N ATOM 380 CA PHE A 23 0.027 5.269 -1.022 1.00 0.00 C ATOM 381 C PHE A 23 -0.315 3.778 -0.952 1.00 0.00 C ATOM 382 O PHE A 23 -0.226 3.044 -1.935 1.00 0.00 O ATOM 383 CB PHE A 23 -1.289 6.016 -1.243 1.00 0.00 C ATOM 384 CG PHE A 23 -1.189 7.513 -1.490 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.869 8.008 -2.771 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.399 8.422 -0.430 1.00 0.00 C ATOM 387 CE1 PHE A 23 -0.601 9.382 -2.953 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.135 9.796 -0.607 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.723 10.275 -1.868 1.00 0.00 C ATOM 0 H PHE A 23 0.620 5.743 -2.987 1.00 0.00 H new ATOM 0 HA PHE A 23 0.488 5.630 -0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.799 5.564 -2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.922 5.856 -0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.829 7.335 -3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.764 8.063 0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.302 9.750 -3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.248 10.480 0.221 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.501 11.323 -2.003 1.00 0.00 H new ATOM 399 N TYR A 24 -0.730 3.357 0.240 1.00 0.00 N ATOM 400 CA TYR A 24 -1.171 1.998 0.565 1.00 0.00 C ATOM 401 C TYR A 24 -2.313 2.108 1.593 1.00 0.00 C ATOM 402 O TYR A 24 -2.392 3.098 2.315 1.00 0.00 O ATOM 403 CB TYR A 24 -0.009 1.136 1.067 1.00 0.00 C ATOM 404 CG TYR A 24 1.216 0.969 0.153 1.00 0.00 C ATOM 405 CD1 TYR A 24 2.054 2.067 -0.148 1.00 0.00 C ATOM 406 CD2 TYR A 24 1.581 -0.308 -0.335 1.00 0.00 C ATOM 407 CE1 TYR A 24 3.146 1.922 -1.031 1.00 0.00 C ATOM 408 CE2 TYR A 24 2.660 -0.458 -1.233 1.00 0.00 C ATOM 409 CZ TYR A 24 3.437 0.662 -1.593 1.00 0.00 C ATOM 410 OH TYR A 24 4.475 0.529 -2.471 1.00 0.00 O ATOM 0 H TYR A 24 -0.771 3.982 1.045 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.539 1.494 -0.329 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.335 1.557 2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.401 0.142 1.285 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.856 3.028 0.303 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.027 -1.179 -0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 24 3.759 2.777 -1.276 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.890 -1.430 -1.644 1.00 0.00 H new ATOM 0 HH TYR A 24 5.227 0.088 -2.024 1.00 0.00 H new ATOM 420 N TYR A 25 -3.116 1.051 1.777 1.00 0.00 N ATOM 421 CA TYR A 25 -4.302 1.108 2.655 1.00 0.00 C ATOM 422 C TYR A 25 -4.024 1.027 4.159 1.00 0.00 C ATOM 423 O TYR A 25 -3.564 -0.016 4.627 1.00 0.00 O ATOM 424 CB TYR A 25 -5.185 -0.104 2.274 1.00 0.00 C ATOM 425 CG TYR A 25 -6.502 -0.404 3.001 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.235 0.591 3.691 1.00 0.00 C ATOM 427 CD2 TYR A 25 -7.043 -1.713 2.914 1.00 0.00 C ATOM 428 CE1 TYR A 25 -8.546 0.309 4.145 1.00 0.00 C ATOM 429 CE2 TYR A 25 -8.365 -1.979 3.331 1.00 0.00 C ATOM 430 CZ TYR A 25 -9.093 -0.982 4.004 1.00 0.00 C ATOM 431 OH TYR A 25 -10.327 -1.269 4.513 1.00 0.00 O ATOM 0 H TYR A 25 -2.969 0.145 1.332 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.763 2.083 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.426 0.001 1.216 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.561 -0.992 2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.796 1.561 3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.435 -2.516 2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.133 1.091 4.604 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.814 -2.941 3.135 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.549 -2.205 4.325 1.00 0.00 H new ATOM 441 N ASN A 26 -4.310 2.116 4.919 1.00 0.00 N ATOM 442 CA ASN A 26 -4.155 2.067 6.372 1.00 0.00 C ATOM 443 C ASN A 26 -5.505 1.534 6.876 1.00 0.00 C ATOM 444 O ASN A 26 -6.509 2.247 6.836 1.00 0.00 O ATOM 445 CB ASN A 26 -3.790 3.450 6.954 1.00 0.00 C ATOM 446 CG ASN A 26 -2.311 3.553 7.355 1.00 0.00 C ATOM 447 OD1 ASN A 26 -1.995 4.015 8.450 1.00 0.00 O ATOM 448 ND2 ASN A 26 -1.397 3.109 6.487 1.00 0.00 N ATOM 0 H ASN A 26 -4.639 3.008 4.551 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.332 1.427 6.690 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.017 4.221 6.218 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.413 3.649 7.826 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.406 3.148 6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.690 2.731 5.586 1.00 0.00 H new ATOM 455 N GLN A 27 -5.518 0.269 7.327 1.00 0.00 N ATOM 456 CA GLN A 27 -6.683 -0.463 7.823 1.00 0.00 C ATOM 457 C GLN A 27 -7.020 -0.082 9.273 1.00 0.00 C ATOM 458 O GLN A 27 -7.257 -0.944 10.119 1.00 0.00 O ATOM 459 CB GLN A 27 -6.424 -1.976 7.649 1.00 0.00 C ATOM 460 CG GLN A 27 -6.176 -2.302 6.165 1.00 0.00 C ATOM 461 CD GLN A 27 -6.171 -3.796 5.825 1.00 0.00 C ATOM 462 OE1 GLN A 27 -5.222 -4.293 5.222 1.00 0.00 O ATOM 463 NE2 GLN A 27 -7.243 -4.513 6.173 1.00 0.00 N ATOM 0 H GLN A 27 -4.669 -0.296 7.355 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.564 -0.190 7.242 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.562 -2.276 8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.279 -2.544 8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.943 -1.811 5.567 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.218 -1.874 5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.013 -4.069 6.673 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.291 -5.505 5.939 1.00 0.00 H new ATOM 472 N LYS A 28 -7.052 1.231 9.536 1.00 0.00 N ATOM 473 CA LYS A 28 -7.363 1.869 10.816 1.00 0.00 C ATOM 474 C LYS A 28 -8.105 3.181 10.541 1.00 0.00 C ATOM 475 O LYS A 28 -9.095 3.523 11.187 1.00 0.00 O ATOM 476 CB LYS A 28 -6.077 2.123 11.628 1.00 0.00 C ATOM 477 CG LYS A 28 -5.324 0.833 11.991 1.00 0.00 C ATOM 478 CD LYS A 28 -4.116 1.137 12.891 1.00 0.00 C ATOM 479 CE LYS A 28 -3.360 -0.135 13.305 1.00 0.00 C ATOM 480 NZ LYS A 28 -2.738 -0.817 12.155 1.00 0.00 N ATOM 0 H LYS A 28 -6.847 1.918 8.811 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.996 1.210 11.410 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.416 2.773 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.333 2.656 12.544 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.998 0.145 12.501 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.988 0.335 11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.435 1.807 12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.455 1.662 13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.589 0.123 14.031 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.049 -0.819 13.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.170 -1.620 12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.480 -1.163 11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.124 -0.149 11.646 1.00 0.00 H new ATOM 494 N LYS A 29 -7.574 3.889 9.548 1.00 0.00 N ATOM 495 CA LYS A 29 -7.970 5.160 8.971 1.00 0.00 C ATOM 496 C LYS A 29 -9.061 5.052 7.964 1.00 0.00 C ATOM 497 O LYS A 29 -9.971 5.884 7.899 1.00 0.00 O ATOM 498 CB LYS A 29 -6.735 5.698 8.258 1.00 0.00 C ATOM 499 CG LYS A 29 -7.033 7.069 7.648 1.00 0.00 C ATOM 500 CD LYS A 29 -5.802 7.966 7.473 1.00 0.00 C ATOM 501 CE LYS A 29 -4.689 7.344 6.626 1.00 0.00 C ATOM 502 NZ LYS A 29 -5.144 7.025 5.264 1.00 0.00 N ATOM 0 H LYS A 29 -6.747 3.532 9.070 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.345 5.798 9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.906 5.777 8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.426 5.004 7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.504 6.926 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.756 7.585 8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.112 8.904 7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.401 8.210 8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.845 8.032 6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.330 6.436 7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.326 6.766 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.811 6.228 5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.617 7.855 4.853 1.00 0.00 H new ATOM 516 N LYS A 30 -8.868 4.048 7.130 1.00 0.00 N ATOM 517 CA LYS A 30 -9.778 3.711 6.090 1.00 0.00 C ATOM 518 C LYS A 30 -9.690 4.782 4.993 1.00 0.00 C ATOM 519 O LYS A 30 -10.611 5.563 4.763 1.00 0.00 O ATOM 520 CB LYS A 30 -11.122 3.452 6.800 1.00 0.00 C ATOM 521 CG LYS A 30 -11.178 1.977 7.232 1.00 0.00 C ATOM 522 CD LYS A 30 -12.604 1.409 7.247 1.00 0.00 C ATOM 523 CE LYS A 30 -13.163 1.244 5.827 1.00 0.00 C ATOM 524 NZ LYS A 30 -14.512 0.652 5.839 1.00 0.00 N ATOM 0 H LYS A 30 -8.050 3.439 7.171 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.571 2.803 5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.222 4.104 7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.952 3.681 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.563 1.383 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.744 1.879 8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.606 0.444 7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.254 2.071 7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.196 2.215 5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.493 0.612 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.857 0.556 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.476 -0.286 6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.156 1.268 6.375 1.00 0.00 H new ATOM 538 N GLN A 31 -8.515 4.767 4.341 1.00 0.00 N ATOM 539 CA GLN A 31 -8.009 5.602 3.268 1.00 0.00 C ATOM 540 C GLN A 31 -6.576 5.107 2.976 1.00 0.00 C ATOM 541 O GLN A 31 -5.921 4.460 3.812 1.00 0.00 O ATOM 542 CB GLN A 31 -8.089 7.099 3.637 1.00 0.00 C ATOM 543 CG GLN A 31 -7.482 8.027 2.573 1.00 0.00 C ATOM 544 CD GLN A 31 -7.690 9.504 2.915 1.00 0.00 C ATOM 545 OE1 GLN A 31 -6.989 9.997 3.940 1.00 0.00 O flip ATOM 546 NE2 GLN A 31 -8.470 10.194 2.260 1.00 0.00 N flip ATOM 0 H GLN A 31 -7.815 4.072 4.599 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.613 5.518 2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.133 7.371 3.792 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.574 7.259 4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.415 7.823 2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.933 7.812 1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.988 9.781 1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.599 11.179 2.493 1.00 0.00 H new ATOM 555 N CYS A 32 -6.104 5.372 1.750 1.00 0.00 N ATOM 556 CA CYS A 32 -4.773 4.996 1.323 1.00 0.00 C ATOM 557 C CYS A 32 -3.845 6.047 1.896 1.00 0.00 C ATOM 558 O CYS A 32 -3.855 7.193 1.445 1.00 0.00 O ATOM 559 CB CYS A 32 -4.674 4.939 -0.202 1.00 0.00 C ATOM 560 SG CYS A 32 -3.626 3.684 -0.965 1.00 0.00 S ATOM 0 H CYS A 32 -6.646 5.855 1.033 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.510 3.999 1.675 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.683 4.807 -0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.325 5.913 -0.546 1.00 0.00 H new ATOM 565 N GLU A 33 -3.103 5.675 2.940 1.00 0.00 N ATOM 566 CA GLU A 33 -2.144 6.546 3.561 1.00 0.00 C ATOM 567 C GLU A 33 -0.935 6.484 2.676 1.00 0.00 C ATOM 568 O GLU A 33 -0.580 5.457 2.109 1.00 0.00 O ATOM 569 CB GLU A 33 -1.748 6.072 4.943 1.00 0.00 C ATOM 570 CG GLU A 33 -0.717 6.925 5.658 1.00 0.00 C ATOM 571 CD GLU A 33 -0.576 6.550 7.134 1.00 0.00 C ATOM 572 OE1 GLU A 33 -1.418 7.026 7.927 1.00 0.00 O ATOM 573 OE2 GLU A 33 0.365 5.788 7.447 1.00 0.00 O ATOM 0 H GLU A 33 -3.162 4.752 3.370 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.561 7.547 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.644 6.023 5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.360 5.057 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.248 6.815 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.998 7.975 5.577 1.00 0.00 H new ATOM 580 N GLY A 34 -0.267 7.611 2.658 1.00 0.00 N ATOM 581 CA GLY A 34 0.928 7.751 1.842 1.00 0.00 C ATOM 582 C GLY A 34 2.090 7.144 2.596 1.00 0.00 C ATOM 583 O GLY A 34 2.299 7.530 3.748 1.00 0.00 O ATOM 0 H GLY A 34 -0.522 8.442 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.794 7.250 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.121 8.802 1.628 1.00 0.00 H new ATOM 587 N PHE A 35 2.839 6.207 1.980 1.00 0.00 N ATOM 588 CA PHE A 35 3.906 5.582 2.750 1.00 0.00 C ATOM 589 C PHE A 35 5.122 5.441 1.820 1.00 0.00 C ATOM 590 O PHE A 35 4.985 5.389 0.594 1.00 0.00 O ATOM 591 CB PHE A 35 3.429 4.228 3.365 1.00 0.00 C ATOM 592 CG PHE A 35 3.407 2.830 2.758 1.00 0.00 C ATOM 593 CD1 PHE A 35 4.532 2.329 2.059 1.00 0.00 C ATOM 594 CD2 PHE A 35 2.404 1.916 3.162 1.00 0.00 C ATOM 595 CE1 PHE A 35 4.617 0.969 1.697 1.00 0.00 C ATOM 596 CE2 PHE A 35 2.484 0.561 2.797 1.00 0.00 C ATOM 597 CZ PHE A 35 3.581 0.088 2.055 1.00 0.00 C ATOM 0 H PHE A 35 2.730 5.890 1.017 1.00 0.00 H new ATOM 0 HA PHE A 35 4.192 6.194 3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.014 4.121 4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.398 4.412 3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.338 2.999 1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.571 2.263 3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.473 0.606 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.699 -0.121 3.088 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.628 -0.950 1.761 1.00 0.00 H new ATOM 607 N THR A 36 6.331 5.385 2.397 1.00 0.00 N ATOM 608 CA THR A 36 7.552 5.259 1.595 1.00 0.00 C ATOM 609 C THR A 36 7.974 3.795 1.511 1.00 0.00 C ATOM 610 O THR A 36 8.210 3.155 2.537 1.00 0.00 O ATOM 611 CB THR A 36 8.715 6.124 2.110 1.00 0.00 C ATOM 612 OG1 THR A 36 8.317 7.479 2.192 1.00 0.00 O ATOM 613 CG2 THR A 36 9.890 6.003 1.115 1.00 0.00 C ATOM 0 H THR A 36 6.487 5.425 3.404 1.00 0.00 H new ATOM 0 HA THR A 36 7.311 5.633 0.600 1.00 0.00 H new ATOM 0 HB THR A 36 9.013 5.783 3.101 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.064 8.020 2.522 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.726 6.610 1.463 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.203 4.961 1.046 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.572 6.352 0.133 1.00 0.00 H new ATOM 621 N TRP A 37 8.083 3.278 0.278 1.00 0.00 N ATOM 622 CA TRP A 37 8.506 1.904 0.038 1.00 0.00 C ATOM 623 C TRP A 37 10.032 1.829 0.194 1.00 0.00 C ATOM 624 O TRP A 37 10.753 2.592 -0.453 1.00 0.00 O ATOM 625 CB TRP A 37 8.069 1.539 -1.374 1.00 0.00 C ATOM 626 CG TRP A 37 8.323 0.162 -1.895 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.476 -0.884 -1.787 1.00 0.00 C ATOM 628 CD2 TRP A 37 9.447 -0.311 -2.695 1.00 0.00 C ATOM 629 NE1 TRP A 37 7.913 -1.913 -2.592 1.00 0.00 N ATOM 630 CE2 TRP A 37 9.080 -1.573 -3.252 1.00 0.00 C ATOM 631 CE3 TRP A 37 10.699 0.231 -3.086 1.00 0.00 C ATOM 632 CZ2 TRP A 37 9.862 -2.204 -4.238 1.00 0.00 C ATOM 633 CZ3 TRP A 37 11.541 -0.457 -3.989 1.00 0.00 C ATOM 634 CH2 TRP A 37 11.102 -1.646 -4.604 1.00 0.00 C ATOM 0 H TRP A 37 7.880 3.804 -0.572 1.00 0.00 H new ATOM 0 HA TRP A 37 8.061 1.204 0.745 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.996 1.719 -1.440 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.552 2.239 -2.056 1.00 0.00 H new ATOM 0 HD1 TRP A 37 6.593 -0.910 -1.166 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.437 -2.810 -2.689 1.00 0.00 H new ATOM 0 HE3 TRP A 37 11.013 1.184 -2.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.513 -3.110 -4.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.525 -0.070 -4.208 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.714 -2.127 -5.353 1.00 0.00 H new ATOM 645 N SER A 38 10.521 0.923 1.053 1.00 0.00 N ATOM 646 CA SER A 38 11.946 0.727 1.316 1.00 0.00 C ATOM 647 C SER A 38 12.551 -0.208 0.252 1.00 0.00 C ATOM 648 O SER A 38 13.718 -0.057 -0.107 1.00 0.00 O ATOM 649 CB SER A 38 12.146 0.233 2.752 1.00 0.00 C ATOM 650 OG SER A 38 11.782 1.237 3.677 1.00 0.00 O ATOM 0 H SER A 38 9.923 0.297 1.592 1.00 0.00 H new ATOM 0 HA SER A 38 12.482 1.673 1.237 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.546 -0.661 2.922 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.188 -0.049 2.904 1.00 0.00 H new ATOM 0 HG SER A 38 11.914 0.905 4.589 1.00 0.00 H new ATOM 656 N GLY A 39 11.755 -1.162 -0.255 1.00 0.00 N ATOM 657 CA GLY A 39 12.115 -2.110 -1.294 1.00 0.00 C ATOM 658 C GLY A 39 12.526 -3.490 -0.810 1.00 0.00 C ATOM 659 O GLY A 39 12.884 -3.684 0.346 1.00 0.00 O ATOM 0 H GLY A 39 10.797 -1.291 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.267 -2.219 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.935 -1.690 -1.876 1.00 0.00 H new ATOM 663 N CYS A 40 12.449 -4.457 -1.733 1.00 0.00 N ATOM 664 CA CYS A 40 12.819 -5.855 -1.539 1.00 0.00 C ATOM 665 C CYS A 40 12.075 -6.489 -0.337 1.00 0.00 C ATOM 666 O CYS A 40 12.640 -7.343 0.347 1.00 0.00 O ATOM 667 CB CYS A 40 14.366 -5.937 -1.389 1.00 0.00 C ATOM 668 SG CYS A 40 15.356 -4.672 -2.279 1.00 0.00 S ATOM 0 H CYS A 40 12.111 -4.272 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 40 12.513 -6.438 -2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 40 14.608 -5.872 -0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 40 14.688 -6.921 -1.730 1.00 0.00 H new ATOM 673 N GLY A 41 10.815 -6.085 -0.084 1.00 0.00 N ATOM 674 CA GLY A 41 9.991 -6.557 1.026 1.00 0.00 C ATOM 675 C GLY A 41 8.987 -7.634 0.607 1.00 0.00 C ATOM 676 O GLY A 41 9.367 -8.801 0.507 1.00 0.00 O ATOM 0 H GLY A 41 10.336 -5.400 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.638 -6.955 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.452 -5.713 1.456 1.00 0.00 H new ATOM 680 N GLY A 42 7.714 -7.260 0.378 1.00 0.00 N ATOM 681 CA GLY A 42 6.666 -8.208 0.002 1.00 0.00 C ATOM 682 C GLY A 42 5.414 -7.587 -0.636 1.00 0.00 C ATOM 683 O GLY A 42 4.842 -8.204 -1.534 1.00 0.00 O ATOM 0 H GLY A 42 7.391 -6.295 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.088 -8.932 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.364 -8.761 0.891 1.00 0.00 H new ATOM 687 N ASN A 43 4.975 -6.401 -0.176 1.00 0.00 N ATOM 688 CA ASN A 43 3.789 -5.679 -0.661 1.00 0.00 C ATOM 689 C ASN A 43 3.601 -5.590 -2.177 1.00 0.00 C ATOM 690 O ASN A 43 4.483 -5.865 -2.991 1.00 0.00 O ATOM 691 CB ASN A 43 3.742 -4.232 -0.126 1.00 0.00 C ATOM 692 CG ASN A 43 5.095 -3.510 -0.111 1.00 0.00 C ATOM 693 OD1 ASN A 43 5.312 -2.643 0.875 1.00 0.00 O flip ATOM 694 ND2 ASN A 43 5.930 -3.717 -0.990 1.00 0.00 N flip ATOM 0 H ASN A 43 5.456 -5.902 0.572 1.00 0.00 H new ATOM 0 HA ASN A 43 2.983 -6.302 -0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.045 -3.656 -0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.342 -4.247 0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.733 -4.388 -1.732 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.819 -3.218 -0.977 1.00 0.00 H new ATOM 701 N SER A 44 2.384 -5.133 -2.486 1.00 0.00 N ATOM 702 CA SER A 44 1.824 -4.906 -3.820 1.00 0.00 C ATOM 703 C SER A 44 0.642 -3.903 -3.804 1.00 0.00 C ATOM 704 O SER A 44 0.180 -3.505 -4.873 1.00 0.00 O ATOM 705 CB SER A 44 1.407 -6.250 -4.425 1.00 0.00 C ATOM 706 OG SER A 44 2.502 -7.120 -4.630 1.00 0.00 O ATOM 0 H SER A 44 1.715 -4.894 -1.754 1.00 0.00 H new ATOM 0 HA SER A 44 2.595 -4.451 -4.442 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.684 -6.731 -3.766 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.904 -6.075 -5.376 1.00 0.00 H new ATOM 0 HG SER A 44 2.183 -7.963 -5.015 1.00 0.00 H new ATOM 712 N ASN A 45 0.160 -3.501 -2.611 1.00 0.00 N ATOM 713 CA ASN A 45 -0.899 -2.537 -2.265 1.00 0.00 C ATOM 714 C ASN A 45 -0.462 -1.086 -2.585 1.00 0.00 C ATOM 715 O ASN A 45 -0.776 -0.135 -1.878 1.00 0.00 O ATOM 716 CB ASN A 45 -1.223 -2.824 -0.774 1.00 0.00 C ATOM 717 CG ASN A 45 -2.174 -1.879 -0.032 1.00 0.00 C ATOM 718 OD1 ASN A 45 -2.896 -1.082 -0.628 1.00 0.00 O ATOM 719 ND2 ASN A 45 -2.170 -1.977 1.302 1.00 0.00 N ATOM 0 H ASN A 45 0.557 -3.898 -1.759 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.806 -2.649 -2.859 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.642 -3.828 -0.714 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.280 -2.839 -0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.780 -1.379 1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.557 -2.650 1.762 1.00 0.00 H new ATOM 726 N ARG A 46 0.231 -0.910 -3.710 1.00 0.00 N ATOM 727 CA ARG A 46 0.787 0.321 -4.243 1.00 0.00 C ATOM 728 C ARG A 46 -0.256 1.047 -5.103 1.00 0.00 C ATOM 729 O ARG A 46 -0.636 0.546 -6.162 1.00 0.00 O ATOM 730 CB ARG A 46 2.015 -0.110 -5.052 1.00 0.00 C ATOM 731 CG ARG A 46 2.862 1.074 -5.540 1.00 0.00 C ATOM 732 CD ARG A 46 4.055 0.597 -6.378 1.00 0.00 C ATOM 733 NE ARG A 46 4.929 -0.305 -5.611 1.00 0.00 N ATOM 734 CZ ARG A 46 5.852 -1.134 -6.133 1.00 0.00 C ATOM 735 NH1 ARG A 46 6.143 -1.123 -7.443 1.00 0.00 N ATOM 736 NH2 ARG A 46 6.491 -1.991 -5.326 1.00 0.00 N ATOM 0 H ARG A 46 0.432 -1.701 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 46 1.069 1.029 -3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.635 -0.764 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.689 -0.694 -5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.243 1.746 -6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.221 1.645 -4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.693 0.083 -7.269 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.629 1.459 -6.718 1.00 0.00 H new ATOM 0 HE ARG A 46 4.826 -0.302 -4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.661 -0.476 -8.067 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.847 -1.761 -7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.276 -2.010 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.193 -2.625 -5.708 1.00 0.00 H new ATOM 750 N PHE A 47 -0.702 2.232 -4.657 1.00 0.00 N ATOM 751 CA PHE A 47 -1.701 3.058 -5.293 1.00 0.00 C ATOM 752 C PHE A 47 -1.275 4.535 -5.305 1.00 0.00 C ATOM 753 O PHE A 47 -0.665 5.021 -4.358 1.00 0.00 O ATOM 754 CB PHE A 47 -2.973 2.816 -4.497 1.00 0.00 C ATOM 755 CG PHE A 47 -3.667 1.514 -4.874 1.00 0.00 C ATOM 756 CD1 PHE A 47 -4.382 1.408 -6.089 1.00 0.00 C ATOM 757 CD2 PHE A 47 -3.557 0.386 -4.028 1.00 0.00 C ATOM 758 CE1 PHE A 47 -4.993 0.186 -6.445 1.00 0.00 C ATOM 759 CE2 PHE A 47 -4.169 -0.833 -4.382 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.883 -0.935 -5.594 1.00 0.00 C ATOM 0 H PHE A 47 -0.347 2.648 -3.796 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.846 2.806 -6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.733 2.800 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.659 3.648 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.461 2.262 -6.745 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.001 0.459 -3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.545 0.109 -7.370 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.091 -1.688 -3.726 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.346 -1.871 -5.871 1.00 0.00 H new ATOM 770 N LYS A 48 -1.591 5.222 -6.413 1.00 0.00 N ATOM 771 CA LYS A 48 -1.296 6.598 -6.749 1.00 0.00 C ATOM 772 C LYS A 48 -2.340 7.663 -6.353 1.00 0.00 C ATOM 773 O LYS A 48 -1.987 8.602 -5.641 1.00 0.00 O ATOM 774 CB LYS A 48 -1.090 6.616 -8.270 1.00 0.00 C ATOM 775 CG LYS A 48 0.172 5.844 -8.693 1.00 0.00 C ATOM 776 CD LYS A 48 0.402 5.998 -10.200 1.00 0.00 C ATOM 777 CE LYS A 48 1.636 5.208 -10.654 1.00 0.00 C ATOM 778 NZ LYS A 48 1.869 5.350 -12.101 1.00 0.00 N ATOM 0 H LYS A 48 -2.112 4.769 -7.164 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.424 6.889 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.962 6.180 -8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.015 7.648 -8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.037 6.217 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.065 4.789 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.477 5.649 -10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.531 7.052 -10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.513 5.556 -10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.505 4.154 -10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.711 4.803 -12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.042 4.995 -12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.019 6.353 -12.332 1.00 0.00 H new ATOM 792 N THR A 49 -3.598 7.561 -6.825 1.00 0.00 N ATOM 793 CA THR A 49 -4.633 8.589 -6.595 1.00 0.00 C ATOM 794 C THR A 49 -5.504 8.449 -5.331 1.00 0.00 C ATOM 795 O THR A 49 -6.311 9.345 -5.091 1.00 0.00 O ATOM 796 CB THR A 49 -5.488 8.755 -7.878 1.00 0.00 C ATOM 797 OG1 THR A 49 -5.803 7.517 -8.477 1.00 0.00 O ATOM 798 CG2 THR A 49 -4.749 9.627 -8.905 1.00 0.00 C ATOM 0 H THR A 49 -3.925 6.766 -7.375 1.00 0.00 H new ATOM 0 HA THR A 49 -4.076 9.500 -6.376 1.00 0.00 H new ATOM 0 HB THR A 49 -6.418 9.234 -7.573 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.343 7.670 -9.280 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.362 9.734 -9.800 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.558 10.611 -8.476 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.802 9.156 -9.168 1.00 0.00 H new ATOM 806 N ILE A 50 -5.361 7.378 -4.534 1.00 0.00 N ATOM 807 CA ILE A 50 -6.069 7.101 -3.264 1.00 0.00 C ATOM 808 C ILE A 50 -7.477 6.527 -3.458 1.00 0.00 C ATOM 809 O ILE A 50 -7.925 5.660 -2.705 1.00 0.00 O ATOM 810 CB ILE A 50 -6.104 8.349 -2.327 1.00 0.00 C ATOM 811 CG1 ILE A 50 -4.676 8.878 -2.059 1.00 0.00 C ATOM 812 CG2 ILE A 50 -6.801 8.039 -0.987 1.00 0.00 C ATOM 813 CD1 ILE A 50 -4.659 10.179 -1.244 1.00 0.00 C ATOM 0 H ILE A 50 -4.707 6.632 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.481 6.323 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.680 9.117 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.106 8.116 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.173 9.046 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.805 8.933 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.827 7.724 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.264 7.241 -0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.628 10.498 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.202 10.954 -1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.135 10.009 -0.278 1.00 0.00 H new ATOM 825 N GLU A 51 -8.175 7.018 -4.476 1.00 0.00 N ATOM 826 CA GLU A 51 -9.527 6.614 -4.830 1.00 0.00 C ATOM 827 C GLU A 51 -9.456 5.198 -5.367 1.00 0.00 C ATOM 828 O GLU A 51 -10.166 4.299 -4.930 1.00 0.00 O ATOM 829 CB GLU A 51 -10.060 7.604 -5.873 1.00 0.00 C ATOM 830 CG GLU A 51 -10.070 9.040 -5.329 1.00 0.00 C ATOM 831 CD GLU A 51 -10.910 9.973 -6.202 1.00 0.00 C ATOM 832 OE1 GLU A 51 -10.374 10.421 -7.240 1.00 0.00 O ATOM 833 OE2 GLU A 51 -12.077 10.218 -5.824 1.00 0.00 O ATOM 0 H GLU A 51 -7.800 7.734 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.205 6.626 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.442 7.557 -6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.070 7.317 -6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.464 9.041 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.048 9.415 -5.275 1.00 0.00 H new ATOM 840 N GLU A 52 -8.522 5.071 -6.301 1.00 0.00 N ATOM 841 CA GLU A 52 -8.059 3.906 -7.025 1.00 0.00 C ATOM 842 C GLU A 52 -7.678 2.811 -6.022 1.00 0.00 C ATOM 843 O GLU A 52 -7.846 1.623 -6.292 1.00 0.00 O ATOM 844 CB GLU A 52 -6.850 4.377 -7.864 1.00 0.00 C ATOM 845 CG GLU A 52 -6.876 3.831 -9.298 1.00 0.00 C ATOM 846 CD GLU A 52 -6.685 2.313 -9.342 1.00 0.00 C ATOM 847 OE1 GLU A 52 -5.509 1.889 -9.390 1.00 0.00 O ATOM 848 OE2 GLU A 52 -7.713 1.601 -9.326 1.00 0.00 O ATOM 0 H GLU A 52 -8.007 5.897 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.821 3.483 -7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.836 5.466 -7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.928 4.060 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.826 4.090 -9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.091 4.311 -9.882 1.00 0.00 H new ATOM 855 N CYS A 53 -7.158 3.234 -4.859 1.00 0.00 N ATOM 856 CA CYS A 53 -6.788 2.382 -3.752 1.00 0.00 C ATOM 857 C CYS A 53 -8.108 1.889 -3.172 1.00 0.00 C ATOM 858 O CYS A 53 -8.349 0.688 -3.236 1.00 0.00 O ATOM 859 CB CYS A 53 -5.969 3.176 -2.737 1.00 0.00 C ATOM 860 SG CYS A 53 -4.925 2.241 -1.591 1.00 0.00 S ATOM 0 H CYS A 53 -6.983 4.221 -4.671 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.161 1.542 -4.051 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.330 3.867 -3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.658 3.780 -2.147 1.00 0.00 H new ATOM 865 N ARG A 54 -8.980 2.803 -2.682 1.00 0.00 N ATOM 866 CA ARG A 54 -10.282 2.367 -2.131 1.00 0.00 C ATOM 867 C ARG A 54 -11.093 1.486 -3.118 1.00 0.00 C ATOM 868 O ARG A 54 -11.856 0.648 -2.654 1.00 0.00 O ATOM 869 CB ARG A 54 -11.192 3.520 -1.663 1.00 0.00 C ATOM 870 CG ARG A 54 -10.633 4.561 -0.669 1.00 0.00 C ATOM 871 CD ARG A 54 -10.146 3.977 0.650 1.00 0.00 C ATOM 872 NE ARG A 54 -8.712 3.678 0.588 1.00 0.00 N ATOM 873 CZ ARG A 54 -8.126 2.525 0.931 1.00 0.00 C ATOM 874 NH1 ARG A 54 -8.827 1.470 1.348 1.00 0.00 N ATOM 875 NH2 ARG A 54 -6.804 2.428 0.862 1.00 0.00 N ATOM 0 H ARG A 54 -8.814 3.809 -2.657 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.994 1.780 -1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.523 4.058 -2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.078 3.076 -1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.807 5.091 -1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.408 5.299 -0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.341 4.681 1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.702 3.068 0.878 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.101 4.422 0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.843 1.527 1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.347 0.606 1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.250 3.226 0.551 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.342 1.556 1.120 1.00 0.00 H new ATOM 889 N ARG A 55 -10.979 1.627 -4.452 1.00 0.00 N ATOM 890 CA ARG A 55 -11.729 0.788 -5.394 1.00 0.00 C ATOM 891 C ARG A 55 -11.542 -0.722 -5.157 1.00 0.00 C ATOM 892 O ARG A 55 -12.502 -1.487 -5.172 1.00 0.00 O ATOM 893 CB ARG A 55 -11.242 1.066 -6.824 1.00 0.00 C ATOM 894 CG ARG A 55 -11.681 2.429 -7.368 1.00 0.00 C ATOM 895 CD ARG A 55 -11.351 2.542 -8.861 1.00 0.00 C ATOM 896 NE ARG A 55 -11.484 3.926 -9.337 1.00 0.00 N ATOM 897 CZ ARG A 55 -10.997 4.405 -10.497 1.00 0.00 C ATOM 898 NH1 ARG A 55 -10.346 3.611 -11.362 1.00 0.00 N ATOM 899 NH2 ARG A 55 -11.165 5.702 -10.794 1.00 0.00 N ATOM 0 H ARG A 55 -10.373 2.316 -4.898 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.779 1.040 -5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.154 1.009 -6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.615 0.283 -7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.752 2.560 -7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.180 3.225 -6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.334 2.191 -9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.016 1.894 -9.432 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.988 4.579 -8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.212 2.623 -11.146 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.985 3.996 -12.235 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.658 6.314 -10.144 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.800 6.076 -11.670 1.00 0.00 H new ATOM 913 N THR A 56 -10.282 -1.113 -4.957 1.00 0.00 N ATOM 914 CA THR A 56 -9.760 -2.464 -4.769 1.00 0.00 C ATOM 915 C THR A 56 -9.652 -2.852 -3.292 1.00 0.00 C ATOM 916 O THR A 56 -9.964 -3.984 -2.927 1.00 0.00 O ATOM 917 CB THR A 56 -8.373 -2.518 -5.449 1.00 0.00 C ATOM 918 OG1 THR A 56 -8.531 -2.353 -6.847 1.00 0.00 O ATOM 919 CG2 THR A 56 -7.646 -3.843 -5.189 1.00 0.00 C ATOM 0 H THR A 56 -9.531 -0.424 -4.919 1.00 0.00 H new ATOM 0 HA THR A 56 -10.448 -3.182 -5.216 1.00 0.00 H new ATOM 0 HB THR A 56 -7.771 -1.715 -5.024 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.653 -2.385 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.677 -3.830 -5.688 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.500 -3.974 -4.117 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.243 -4.668 -5.577 1.00 0.00 H new ATOM 927 N CYS A 57 -9.169 -1.928 -2.456 1.00 0.00 N ATOM 928 CA CYS A 57 -8.969 -2.065 -1.034 1.00 0.00 C ATOM 929 C CYS A 57 -10.290 -2.059 -0.286 1.00 0.00 C ATOM 930 O CYS A 57 -10.414 -2.724 0.742 1.00 0.00 O ATOM 931 CB CYS A 57 -8.048 -0.934 -0.604 1.00 0.00 C ATOM 932 SG CYS A 57 -6.377 -1.060 -1.282 1.00 0.00 S ATOM 0 H CYS A 57 -8.892 -1.005 -2.791 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.510 -3.024 -0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.485 0.016 -0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.989 -0.919 0.484 1.00 0.00 H new ATOM 937 N ILE A 58 -11.243 -1.280 -0.804 1.00 0.00 N ATOM 938 CA ILE A 58 -12.610 -1.203 -0.282 1.00 0.00 C ATOM 939 C ILE A 58 -13.501 -1.915 -1.322 1.00 0.00 C ATOM 940 O ILE A 58 -13.067 -2.205 -2.441 1.00 0.00 O ATOM 941 CB ILE A 58 -13.098 0.215 0.096 1.00 0.00 C ATOM 942 CG1 ILE A 58 -12.082 0.978 0.948 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.393 0.159 0.931 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.655 0.296 2.245 1.00 0.00 C ATOM 0 H ILE A 58 -11.084 -0.676 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.659 -1.700 0.687 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.254 0.722 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -11.192 1.157 0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.502 1.953 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.709 1.172 1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -15.176 -0.334 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.210 -0.400 1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.934 0.925 2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.528 0.141 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.198 -0.667 2.016 1.00 0.00 H new ATOM 956 N ARG A 59 -14.750 -2.224 -0.956 1.00 0.00 N ATOM 957 CA ARG A 59 -15.710 -2.908 -1.822 1.00 0.00 C ATOM 958 C ARG A 59 -16.299 -1.888 -2.821 1.00 0.00 C ATOM 959 O ARG A 59 -15.539 -1.248 -3.550 1.00 0.00 O ATOM 960 CB ARG A 59 -16.728 -3.674 -0.937 1.00 0.00 C ATOM 961 CG ARG A 59 -17.141 -5.034 -1.533 1.00 0.00 C ATOM 962 CD ARG A 59 -17.872 -4.984 -2.881 1.00 0.00 C ATOM 963 NE ARG A 59 -19.231 -4.437 -2.752 1.00 0.00 N ATOM 964 CZ ARG A 59 -20.200 -4.529 -3.681 1.00 0.00 C ATOM 965 NH1 ARG A 59 -19.971 -5.103 -4.874 1.00 0.00 N ATOM 966 NH2 ARG A 59 -21.417 -4.035 -3.416 1.00 0.00 N ATOM 0 H ARG A 59 -15.126 -2.001 -0.034 1.00 0.00 H new ATOM 0 HA ARG A 59 -15.249 -3.674 -2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.295 -3.833 0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.617 -3.059 -0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.245 -5.644 -1.650 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.782 -5.544 -0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.301 -4.374 -3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.924 -5.988 -3.302 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.458 -3.947 -1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.048 -5.480 -5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.720 -5.162 -5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -21.603 -3.593 -2.516 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.157 -4.101 -4.115 1.00 0.00 H new ATOM 980 N LYS A 60 -17.627 -1.722 -2.876 1.00 0.00 N ATOM 981 CA LYS A 60 -18.308 -0.801 -3.782 1.00 0.00 C ATOM 982 C LYS A 60 -19.627 -0.351 -3.140 1.00 0.00 C ATOM 983 O LYS A 60 -19.759 0.868 -2.895 1.00 0.00 O ATOM 984 CB LYS A 60 -18.522 -1.506 -5.135 1.00 0.00 C ATOM 985 CG LYS A 60 -19.129 -0.595 -6.211 1.00 0.00 C ATOM 986 CD LYS A 60 -19.583 -1.364 -7.466 1.00 0.00 C ATOM 987 CE LYS A 60 -18.461 -2.103 -8.216 1.00 0.00 C ATOM 988 NZ LYS A 60 -18.152 -3.426 -7.640 1.00 0.00 N ATOM 989 OXT LYS A 60 -20.483 -1.231 -2.900 1.00 0.00 O ATOM 0 H LYS A 60 -18.269 -2.239 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 60 -17.710 0.092 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -17.566 -1.889 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -19.175 -2.366 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.982 -0.063 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.394 0.157 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.343 -2.089 -7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -20.057 -0.662 -8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.750 -2.227 -9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.560 -1.490 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.158 -3.448 -7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.769 -3.601 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.311 -4.162 -8.357 1.00 0.00 H new TER 1003 LYS A 60