USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 366 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 8 THR OG1 : rot -86:sc= 0.468 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00533 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.24 F(o=-0.93,f=-0.24) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0185 F(o=-0.67,f=-0.018) USER MOD Single : B 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.325 X(o=-0.33,f=-0.15) USER MOD Single : B 4 GLN : amide:sc= -1.74! C(o=-1.7!,f=-6!) USER MOD Single : B 5 HIS : no HD1:sc= -0.845 X(o=-0.85,f=-0.65) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.365 1.006 12.127 1.00 0.00 N ATOM 2 CA GLY A 1 -1.740 0.862 11.571 1.00 0.00 C ATOM 3 C GLY A 1 -1.690 0.021 10.294 1.00 0.00 C ATOM 4 O GLY A 1 -1.491 -1.176 10.347 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.400 1.578 12.995 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.021 0.066 12.347 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.245 1.475 11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.393 0.389 12.305 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.161 1.844 11.356 1.00 0.00 H new ATOM 10 N ILE A 2 -1.868 0.648 9.158 1.00 0.00 N ATOM 11 CA ILE A 2 -1.839 -0.080 7.848 1.00 0.00 C ATOM 12 C ILE A 2 -2.352 -1.522 8.007 1.00 0.00 C ATOM 13 O ILE A 2 -3.528 -1.782 7.843 1.00 0.00 O ATOM 14 CB ILE A 2 -0.413 -0.054 7.274 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.271 -1.153 6.221 1.00 0.00 C ATOM 16 CG2 ILE A 2 0.629 -0.248 8.380 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.750 -0.721 5.170 1.00 0.00 C ATOM 0 H ILE A 2 -2.035 1.651 9.080 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.505 0.424 7.148 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.239 0.919 6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.047 -2.084 6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.235 -1.347 5.750 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.629 -0.225 7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.534 0.552 9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.467 -1.209 8.868 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.852 -1.504 4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.413 0.199 4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.714 -0.549 5.648 1.00 0.00 H new ATOM 29 N VAL A 3 -1.492 -2.461 8.313 1.00 0.00 N ATOM 30 CA VAL A 3 -1.951 -3.874 8.470 1.00 0.00 C ATOM 31 C VAL A 3 -3.280 -3.906 9.228 1.00 0.00 C ATOM 32 O VAL A 3 -4.270 -4.417 8.744 1.00 0.00 O ATOM 33 CB VAL A 3 -0.907 -4.675 9.255 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.124 -6.169 9.009 1.00 0.00 C ATOM 35 CG2 VAL A 3 0.499 -4.283 8.794 1.00 0.00 C ATOM 0 H VAL A 3 -0.494 -2.310 8.461 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.083 -4.314 7.482 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.011 -4.459 10.318 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.382 -6.741 9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.124 -6.451 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.021 -6.381 7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.238 -4.855 9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.606 -4.496 7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.655 -3.218 8.968 1.00 0.00 H new ATOM 45 N GLU A 4 -3.310 -3.368 10.417 1.00 0.00 N ATOM 46 CA GLU A 4 -4.575 -3.372 11.207 1.00 0.00 C ATOM 47 C GLU A 4 -5.728 -2.867 10.335 1.00 0.00 C ATOM 48 O GLU A 4 -6.779 -3.472 10.268 1.00 0.00 O ATOM 49 CB GLU A 4 -4.422 -2.458 12.425 1.00 0.00 C ATOM 50 CG GLU A 4 -5.745 -2.406 13.193 1.00 0.00 C ATOM 51 CD GLU A 4 -5.524 -1.719 14.543 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.645 -0.877 14.621 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.238 -2.048 15.476 1.00 0.00 O ATOM 0 H GLU A 4 -2.513 -2.926 10.876 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.788 -4.388 11.539 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.627 -2.828 13.073 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.134 -1.456 12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.493 -1.863 12.615 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.130 -3.414 13.345 1.00 0.00 H new ATOM 60 N GLN A 5 -5.543 -1.758 9.672 1.00 0.00 N ATOM 61 CA GLN A 5 -6.633 -1.214 8.812 1.00 0.00 C ATOM 62 C GLN A 5 -6.503 -1.771 7.392 1.00 0.00 C ATOM 63 O GLN A 5 -6.373 -1.032 6.437 1.00 0.00 O ATOM 64 CB GLN A 5 -6.534 0.312 8.772 1.00 0.00 C ATOM 65 CG GLN A 5 -7.742 0.923 9.485 1.00 0.00 C ATOM 66 CD GLN A 5 -7.613 2.447 9.494 1.00 0.00 C ATOM 67 OE1 GLN A 5 -7.125 3.055 8.447 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 -7.957 3.092 10.465 1.00 0.00 N flip ATOM 0 H GLN A 5 -4.686 -1.206 9.688 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.598 -1.509 9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.612 0.639 9.252 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.496 0.657 7.739 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.662 0.628 8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.803 0.547 10.506 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.338 2.618 11.283 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.864 4.108 10.461 1.00 0.00 H new ATOM 77 N CYS A 6 -6.542 -3.067 7.245 1.00 0.00 N ATOM 78 CA CYS A 6 -6.426 -3.666 5.885 1.00 0.00 C ATOM 79 C CYS A 6 -6.738 -5.163 5.958 1.00 0.00 C ATOM 80 O CYS A 6 -7.339 -5.724 5.064 1.00 0.00 O ATOM 81 CB CYS A 6 -5.004 -3.466 5.357 1.00 0.00 C ATOM 82 SG CYS A 6 -4.969 -2.047 4.233 1.00 0.00 S ATOM 0 H CYS A 6 -6.649 -3.737 8.007 1.00 0.00 H new ATOM 0 HA CYS A 6 -7.133 -3.180 5.213 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.316 -3.303 6.187 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.669 -4.363 4.837 1.00 0.00 H new ATOM 87 N CYS A 7 -6.334 -5.810 7.015 1.00 0.00 N ATOM 88 CA CYS A 7 -6.608 -7.268 7.147 1.00 0.00 C ATOM 89 C CYS A 7 -7.962 -7.474 7.825 1.00 0.00 C ATOM 90 O CYS A 7 -8.657 -8.436 7.567 1.00 0.00 O ATOM 91 CB CYS A 7 -5.508 -7.917 7.991 1.00 0.00 C ATOM 92 SG CYS A 7 -5.895 -9.666 8.250 1.00 0.00 S ATOM 0 H CYS A 7 -5.825 -5.392 7.794 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.626 -7.726 6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.545 -7.817 7.490 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.423 -7.407 8.950 1.00 0.00 H new ATOM 97 N THR A 8 -8.343 -6.576 8.692 1.00 0.00 N ATOM 98 CA THR A 8 -9.654 -6.720 9.387 1.00 0.00 C ATOM 99 C THR A 8 -10.750 -6.045 8.558 1.00 0.00 C ATOM 100 O THR A 8 -11.813 -5.734 9.055 1.00 0.00 O ATOM 101 CB THR A 8 -9.577 -6.057 10.765 1.00 0.00 C ATOM 102 OG1 THR A 8 -8.911 -4.807 10.649 1.00 0.00 O ATOM 103 CG2 THR A 8 -8.805 -6.961 11.727 1.00 0.00 C ATOM 0 H THR A 8 -7.804 -5.749 8.949 1.00 0.00 H new ATOM 0 HA THR A 8 -9.887 -7.778 9.504 1.00 0.00 H new ATOM 0 HB THR A 8 -10.585 -5.899 11.150 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.943 -4.944 10.717 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.751 -6.487 12.707 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.316 -7.920 11.815 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.797 -7.121 11.346 1.00 0.00 H new ATOM 111 N SER A 9 -10.499 -5.819 7.296 1.00 0.00 N ATOM 112 CA SER A 9 -11.529 -5.166 6.439 1.00 0.00 C ATOM 113 C SER A 9 -11.004 -5.050 5.007 1.00 0.00 C ATOM 114 O SER A 9 -9.879 -5.406 4.716 1.00 0.00 O ATOM 115 CB SER A 9 -11.839 -3.771 6.983 1.00 0.00 C ATOM 116 OG SER A 9 -10.636 -3.164 7.436 1.00 0.00 O ATOM 0 H SER A 9 -9.627 -6.058 6.823 1.00 0.00 H new ATOM 0 HA SER A 9 -12.438 -5.767 6.445 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.298 -3.159 6.206 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.556 -3.838 7.801 1.00 0.00 H new ATOM 0 HG SER A 9 -10.832 -2.269 7.784 1.00 0.00 H new ATOM 122 N ILE A 10 -11.812 -4.558 4.109 1.00 0.00 N ATOM 123 CA ILE A 10 -11.364 -4.422 2.694 1.00 0.00 C ATOM 124 C ILE A 10 -10.827 -3.007 2.459 1.00 0.00 C ATOM 125 O ILE A 10 -11.547 -2.120 2.048 1.00 0.00 O ATOM 126 CB ILE A 10 -12.547 -4.681 1.761 1.00 0.00 C ATOM 127 CG1 ILE A 10 -13.390 -5.831 2.320 1.00 0.00 C ATOM 128 CG2 ILE A 10 -12.030 -5.057 0.371 1.00 0.00 C ATOM 129 CD1 ILE A 10 -12.588 -7.131 2.249 1.00 0.00 C ATOM 0 H ILE A 10 -12.765 -4.244 4.294 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.574 -5.146 2.491 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.158 -3.781 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.673 -5.621 3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.314 -5.929 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.874 -5.242 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.427 -4.240 -0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.420 -5.957 0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.187 -7.950 2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.328 -7.342 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.677 -7.029 2.838 1.00 0.00 H new ATOM 141 N CYS A 11 -9.565 -2.791 2.716 1.00 0.00 N ATOM 142 CA CYS A 11 -8.986 -1.434 2.504 1.00 0.00 C ATOM 143 C CYS A 11 -8.560 -1.287 1.041 1.00 0.00 C ATOM 144 O CYS A 11 -9.109 -1.917 0.159 1.00 0.00 O ATOM 145 CB CYS A 11 -7.769 -1.252 3.415 1.00 0.00 C ATOM 146 SG CYS A 11 -6.466 -2.409 2.926 1.00 0.00 S ATOM 0 H CYS A 11 -8.912 -3.494 3.063 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.732 -0.676 2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.403 -0.227 3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.051 -1.424 4.454 1.00 0.00 H new ATOM 151 N SER A 12 -7.587 -0.458 0.775 1.00 0.00 N ATOM 152 CA SER A 12 -7.132 -0.273 -0.632 1.00 0.00 C ATOM 153 C SER A 12 -5.749 0.385 -0.641 1.00 0.00 C ATOM 154 O SER A 12 -5.128 0.560 0.388 1.00 0.00 O ATOM 155 CB SER A 12 -8.127 0.619 -1.377 1.00 0.00 C ATOM 156 OG SER A 12 -8.215 1.876 -0.718 1.00 0.00 O ATOM 0 H SER A 12 -7.089 0.098 1.470 1.00 0.00 H new ATOM 0 HA SER A 12 -7.074 -1.243 -1.125 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.806 0.758 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.107 0.143 -1.409 1.00 0.00 H new ATOM 0 HG SER A 12 -8.850 2.451 -1.194 1.00 0.00 H new ATOM 162 N LEU A 13 -5.264 0.750 -1.795 1.00 0.00 N ATOM 163 CA LEU A 13 -3.922 1.395 -1.873 1.00 0.00 C ATOM 164 C LEU A 13 -4.021 2.850 -1.407 1.00 0.00 C ATOM 165 O LEU A 13 -3.035 3.554 -1.324 1.00 0.00 O ATOM 166 CB LEU A 13 -3.423 1.360 -3.319 1.00 0.00 C ATOM 167 CG LEU A 13 -3.015 -0.067 -3.685 1.00 0.00 C ATOM 168 CD1 LEU A 13 -3.982 -0.621 -4.731 1.00 0.00 C ATOM 169 CD2 LEU A 13 -1.595 -0.057 -4.258 1.00 0.00 C ATOM 0 H LEU A 13 -5.739 0.630 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.226 0.855 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.205 1.710 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.575 2.034 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.045 -0.695 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.691 -1.639 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.994 -0.625 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.951 0.005 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.301 -1.073 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.567 0.570 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.905 0.340 -3.513 1.00 0.00 H new ATOM 181 N TYR A 14 -5.207 3.307 -1.106 1.00 0.00 N ATOM 182 CA TYR A 14 -5.371 4.717 -0.650 1.00 0.00 C ATOM 183 C TYR A 14 -4.380 5.013 0.479 1.00 0.00 C ATOM 184 O TYR A 14 -3.721 6.033 0.489 1.00 0.00 O ATOM 185 CB TYR A 14 -6.800 4.927 -0.146 1.00 0.00 C ATOM 186 CG TYR A 14 -6.937 6.321 0.416 1.00 0.00 C ATOM 187 CD1 TYR A 14 -6.394 6.626 1.670 1.00 0.00 C ATOM 188 CD2 TYR A 14 -7.606 7.308 -0.316 1.00 0.00 C ATOM 189 CE1 TYR A 14 -6.520 7.920 2.190 1.00 0.00 C ATOM 190 CE2 TYR A 14 -7.731 8.602 0.204 1.00 0.00 C ATOM 191 CZ TYR A 14 -7.189 8.908 1.459 1.00 0.00 C ATOM 192 OH TYR A 14 -7.314 10.182 1.974 1.00 0.00 O ATOM 0 H TYR A 14 -6.069 2.764 -1.156 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.177 5.391 -1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.509 4.781 -0.961 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.038 4.190 0.620 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.878 5.864 2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.026 7.072 -1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.100 8.156 3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.245 9.364 -0.362 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.804 10.745 1.339 1.00 0.00 H new ATOM 202 N GLN A 15 -4.270 4.130 1.433 1.00 0.00 N ATOM 203 CA GLN A 15 -3.323 4.364 2.560 1.00 0.00 C ATOM 204 C GLN A 15 -2.015 3.618 2.295 1.00 0.00 C ATOM 205 O GLN A 15 -1.036 3.792 2.993 1.00 0.00 O ATOM 206 CB GLN A 15 -3.939 3.845 3.858 1.00 0.00 C ATOM 207 CG GLN A 15 -3.245 4.504 5.051 1.00 0.00 C ATOM 208 CD GLN A 15 -3.249 3.545 6.242 1.00 0.00 C ATOM 209 OE1 GLN A 15 -4.131 2.584 6.288 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 -2.441 3.670 7.141 1.00 0.00 N flip ATOM 0 H GLN A 15 -4.795 3.257 1.481 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.124 5.432 2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.007 4.063 3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.834 2.762 3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.221 4.769 4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.756 5.430 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.751 4.421 7.106 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.453 3.024 7.930 1.00 0.00 H new ATOM 219 N LEU A 16 -1.991 2.784 1.294 1.00 0.00 N ATOM 220 CA LEU A 16 -0.753 2.020 0.988 1.00 0.00 C ATOM 221 C LEU A 16 0.093 2.798 -0.025 1.00 0.00 C ATOM 222 O LEU A 16 1.205 2.420 -0.339 1.00 0.00 O ATOM 223 CB LEU A 16 -1.150 0.667 0.399 1.00 0.00 C ATOM 224 CG LEU A 16 0.052 -0.266 0.392 1.00 0.00 C ATOM 225 CD1 LEU A 16 -0.194 -1.418 1.366 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.245 -0.818 -1.021 1.00 0.00 C ATOM 0 H LEU A 16 -2.779 2.599 0.673 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.169 1.873 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.958 0.229 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.526 0.798 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 16 0.946 0.278 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.666 -2.088 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.340 -1.020 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.084 -1.969 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.105 -1.488 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.648 -1.366 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.416 0.006 -1.713 1.00 0.00 H new ATOM 238 N GLU A 17 -0.424 3.882 -0.537 1.00 0.00 N ATOM 239 CA GLU A 17 0.350 4.684 -1.526 1.00 0.00 C ATOM 240 C GLU A 17 1.177 5.744 -0.795 1.00 0.00 C ATOM 241 O GLU A 17 1.966 6.450 -1.392 1.00 0.00 O ATOM 242 CB GLU A 17 -0.620 5.378 -2.484 1.00 0.00 C ATOM 243 CG GLU A 17 -1.009 4.419 -3.612 1.00 0.00 C ATOM 244 CD GLU A 17 -2.196 4.999 -4.384 1.00 0.00 C ATOM 245 OE1 GLU A 17 -2.868 5.860 -3.839 1.00 0.00 O ATOM 246 OE2 GLU A 17 -2.412 4.573 -5.506 1.00 0.00 O ATOM 0 H GLU A 17 -1.350 4.247 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 17 1.015 4.025 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.511 5.700 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.158 6.274 -2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.164 4.267 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.269 3.443 -3.201 1.00 0.00 H new ATOM 253 N ASN A 18 1.004 5.867 0.494 1.00 0.00 N ATOM 254 CA ASN A 18 1.778 6.885 1.257 1.00 0.00 C ATOM 255 C ASN A 18 3.006 6.223 1.878 1.00 0.00 C ATOM 256 O ASN A 18 4.093 6.765 1.867 1.00 0.00 O ATOM 257 CB ASN A 18 0.898 7.470 2.362 1.00 0.00 C ATOM 258 CG ASN A 18 1.561 8.726 2.932 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.313 8.651 3.883 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.311 9.886 2.389 1.00 0.00 N ATOM 0 H ASN A 18 0.359 5.306 1.051 1.00 0.00 H new ATOM 0 HA ASN A 18 2.095 7.684 0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.088 7.714 1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.750 6.734 3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.747 10.729 2.763 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.680 9.950 1.590 1.00 0.00 H new ATOM 267 N TYR A 19 2.831 5.053 2.421 1.00 0.00 N ATOM 268 CA TYR A 19 3.975 4.343 3.050 1.00 0.00 C ATOM 269 C TYR A 19 5.105 4.188 2.032 1.00 0.00 C ATOM 270 O TYR A 19 6.260 4.055 2.385 1.00 0.00 O ATOM 271 CB TYR A 19 3.501 2.968 3.514 1.00 0.00 C ATOM 272 CG TYR A 19 2.928 3.088 4.904 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.752 3.471 5.968 1.00 0.00 C ATOM 274 CD2 TYR A 19 1.572 2.825 5.127 1.00 0.00 C ATOM 275 CE1 TYR A 19 3.220 3.589 7.258 1.00 0.00 C ATOM 276 CE2 TYR A 19 1.040 2.943 6.416 1.00 0.00 C ATOM 277 CZ TYR A 19 1.865 3.324 7.481 1.00 0.00 C ATOM 278 OH TYR A 19 1.340 3.441 8.753 1.00 0.00 O ATOM 0 H TYR A 19 1.941 4.556 2.456 1.00 0.00 H new ATOM 0 HA TYR A 19 4.345 4.912 3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.748 2.579 2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.332 2.262 3.509 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.798 3.676 5.794 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.936 2.531 4.305 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.855 3.884 8.080 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.007 2.740 6.589 1.00 0.00 H new ATOM 0 HH TYR A 19 0.385 3.223 8.734 1.00 0.00 H new ATOM 288 N CYS A 20 4.781 4.212 0.770 1.00 0.00 N ATOM 289 CA CYS A 20 5.832 4.076 -0.275 1.00 0.00 C ATOM 290 C CYS A 20 6.471 5.445 -0.522 1.00 0.00 C ATOM 291 O CYS A 20 5.789 6.426 -0.743 1.00 0.00 O ATOM 292 CB CYS A 20 5.191 3.560 -1.569 1.00 0.00 C ATOM 293 SG CYS A 20 6.334 3.775 -2.957 1.00 0.00 S ATOM 0 H CYS A 20 3.830 4.320 0.416 1.00 0.00 H new ATOM 0 HA CYS A 20 6.597 3.373 0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.932 2.507 -1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.264 4.098 -1.765 1.00 0.00 H new ATOM 298 N ASN A 21 7.773 5.520 -0.486 1.00 0.00 N ATOM 299 CA ASN A 21 8.450 6.828 -0.717 1.00 0.00 C ATOM 300 C ASN A 21 8.584 7.075 -2.222 1.00 0.00 C ATOM 301 O ASN A 21 7.819 7.873 -2.740 1.00 0.00 O ATOM 302 CB ASN A 21 9.840 6.802 -0.079 1.00 0.00 C ATOM 303 CG ASN A 21 9.702 6.788 1.445 1.00 0.00 C ATOM 304 OD1 ASN A 21 8.837 7.582 2.016 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 10.388 6.049 2.123 1.00 0.00 N flip ATOM 0 H ASN A 21 8.397 4.733 -0.307 1.00 0.00 H new ATOM 0 HA ASN A 21 7.859 7.627 -0.269 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.389 5.921 -0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.413 7.674 -0.395 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.064 5.429 1.677 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.288 6.049 3.138 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N GLU B 1 -16.739 -14.333 -5.205 1.00 0.00 N ATOM 314 CA GLU B 1 -16.701 -12.866 -4.950 1.00 0.00 C ATOM 315 C GLU B 1 -15.247 -12.411 -4.810 1.00 0.00 C ATOM 316 O GLU B 1 -14.813 -11.479 -5.456 1.00 0.00 O ATOM 317 CB GLU B 1 -17.462 -12.554 -3.660 1.00 0.00 C ATOM 318 CG GLU B 1 -18.909 -12.186 -3.994 1.00 0.00 C ATOM 319 CD GLU B 1 -19.783 -13.440 -3.924 1.00 0.00 C ATOM 320 OE1 GLU B 1 -20.083 -13.869 -2.821 1.00 0.00 O ATOM 321 OE2 GLU B 1 -20.138 -13.949 -4.973 1.00 0.00 O ATOM 0 H1 GLU B 1 -17.727 -14.643 -5.300 1.00 0.00 H new ATOM 0 H2 GLU B 1 -16.223 -14.546 -6.082 1.00 0.00 H new ATOM 0 H3 GLU B 1 -16.294 -14.835 -4.411 1.00 0.00 H new ATOM 0 HA GLU B 1 -17.167 -12.339 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU B 1 -17.440 -13.417 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU B 1 -16.980 -11.732 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU B 1 -19.275 -11.435 -3.294 1.00 0.00 H new ATOM 0 HG3 GLU B 1 -18.963 -11.747 -4.990 1.00 0.00 H new ATOM 330 N VAL B 2 -14.491 -13.066 -3.971 1.00 0.00 N ATOM 331 CA VAL B 2 -13.063 -12.673 -3.788 1.00 0.00 C ATOM 332 C VAL B 2 -12.984 -11.218 -3.322 1.00 0.00 C ATOM 333 O VAL B 2 -13.896 -10.440 -3.520 1.00 0.00 O ATOM 334 CB VAL B 2 -12.318 -12.823 -5.115 1.00 0.00 C ATOM 335 CG1 VAL B 2 -10.831 -13.052 -4.843 1.00 0.00 C ATOM 336 CG2 VAL B 2 -12.884 -14.018 -5.886 1.00 0.00 C ATOM 0 H VAL B 2 -14.800 -13.856 -3.404 1.00 0.00 H new ATOM 0 HA VAL B 2 -12.606 -13.318 -3.038 1.00 0.00 H new ATOM 0 HB VAL B 2 -12.444 -11.916 -5.706 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -10.300 -13.159 -5.789 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -10.426 -12.202 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -10.705 -13.959 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -12.353 -14.125 -6.832 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -12.758 -14.925 -5.295 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -13.944 -13.856 -6.081 1.00 0.00 H new ATOM 346 N ASN B 3 -11.895 -10.842 -2.708 1.00 0.00 N ATOM 347 CA ASN B 3 -11.751 -9.437 -2.232 1.00 0.00 C ATOM 348 C ASN B 3 -10.327 -9.218 -1.715 1.00 0.00 C ATOM 349 O ASN B 3 -9.501 -10.109 -1.749 1.00 0.00 O ATOM 350 CB ASN B 3 -12.755 -9.173 -1.107 1.00 0.00 C ATOM 351 CG ASN B 3 -12.909 -10.431 -0.250 1.00 0.00 C ATOM 352 OD1 ASN B 3 -13.942 -11.069 -0.269 1.00 0.00 O ATOM 353 ND2 ASN B 3 -11.919 -10.817 0.507 1.00 0.00 N ATOM 0 H ASN B 3 -11.098 -11.448 -2.515 1.00 0.00 H new ATOM 0 HA ASN B 3 -11.946 -8.751 -3.056 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -12.415 -8.340 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -13.719 -8.886 -1.527 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -12.013 -11.654 1.082 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -11.051 -10.282 0.524 1.00 0.00 H new ATOM 360 N GLN B 4 -10.032 -8.039 -1.240 1.00 0.00 N ATOM 361 CA GLN B 4 -8.660 -7.763 -0.726 1.00 0.00 C ATOM 362 C GLN B 4 -8.579 -8.141 0.754 1.00 0.00 C ATOM 363 O GLN B 4 -9.494 -8.716 1.309 1.00 0.00 O ATOM 364 CB GLN B 4 -8.341 -6.276 -0.891 1.00 0.00 C ATOM 365 CG GLN B 4 -7.663 -6.047 -2.244 1.00 0.00 C ATOM 366 CD GLN B 4 -6.144 -6.063 -2.062 1.00 0.00 C ATOM 367 OE1 GLN B 4 -5.584 -7.049 -1.623 1.00 0.00 O ATOM 368 NE2 GLN B 4 -5.448 -5.007 -2.384 1.00 0.00 N ATOM 0 H GLN B 4 -10.682 -7.255 -1.185 1.00 0.00 H new ATOM 0 HA GLN B 4 -7.939 -8.354 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -9.256 -5.687 -0.826 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -7.689 -5.941 -0.084 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -7.964 -6.822 -2.949 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -7.980 -5.093 -2.665 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -5.917 -4.180 -2.752 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -4.435 -5.009 -2.267 1.00 0.00 H new ATOM 377 N HIS B 5 -7.490 -7.821 1.400 1.00 0.00 N ATOM 378 CA HIS B 5 -7.352 -8.164 2.842 1.00 0.00 C ATOM 379 C HIS B 5 -5.916 -7.891 3.298 1.00 0.00 C ATOM 380 O HIS B 5 -5.679 -7.120 4.206 1.00 0.00 O ATOM 381 CB HIS B 5 -7.680 -9.645 3.048 1.00 0.00 C ATOM 382 CG HIS B 5 -8.694 -9.783 4.149 1.00 0.00 C ATOM 383 ND1 HIS B 5 -8.615 -10.781 5.106 1.00 0.00 N ATOM 384 CD2 HIS B 5 -9.817 -9.055 4.457 1.00 0.00 C ATOM 385 CE1 HIS B 5 -9.662 -10.628 5.939 1.00 0.00 C ATOM 386 NE2 HIS B 5 -10.427 -9.591 5.588 1.00 0.00 N ATOM 0 H HIS B 5 -6.691 -7.337 0.990 1.00 0.00 H new ATOM 0 HA HIS B 5 -8.040 -7.554 3.427 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -8.069 -10.075 2.125 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -6.775 -10.198 3.301 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -10.173 -8.197 3.906 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -9.859 -11.266 6.788 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -11.275 -9.262 6.049 1.00 0.00 H new ATOM 394 N LEU B 6 -4.954 -8.515 2.676 1.00 0.00 N ATOM 395 CA LEU B 6 -3.537 -8.286 3.077 1.00 0.00 C ATOM 396 C LEU B 6 -3.360 -8.644 4.555 1.00 0.00 C ATOM 397 O LEU B 6 -3.844 -7.954 5.431 1.00 0.00 O ATOM 398 CB LEU B 6 -3.177 -6.815 2.865 1.00 0.00 C ATOM 399 CG LEU B 6 -3.770 -6.325 1.542 1.00 0.00 C ATOM 400 CD1 LEU B 6 -3.253 -4.916 1.244 1.00 0.00 C ATOM 401 CD2 LEU B 6 -3.352 -7.270 0.415 1.00 0.00 C ATOM 0 H LEU B 6 -5.087 -9.173 1.908 1.00 0.00 H new ATOM 0 HA LEU B 6 -2.884 -8.912 2.469 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.559 -6.214 3.691 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -2.094 -6.693 2.857 1.00 0.00 H new ATOM 0 HG LEU B 6 -4.857 -6.306 1.615 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -3.674 -4.565 0.302 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.550 -4.242 2.047 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -2.166 -4.935 1.170 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -3.774 -6.921 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -2.265 -7.289 0.341 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -3.719 -8.274 0.627 1.00 0.00 H new ATOM 413 N CYS B 7 -2.671 -9.714 4.842 1.00 0.00 N ATOM 414 CA CYS B 7 -2.469 -10.109 6.265 1.00 0.00 C ATOM 415 C CYS B 7 -1.163 -10.900 6.402 1.00 0.00 C ATOM 416 O CYS B 7 -1.141 -11.988 6.941 1.00 0.00 O ATOM 417 CB CYS B 7 -3.642 -10.979 6.719 1.00 0.00 C ATOM 418 SG CYS B 7 -4.088 -10.552 8.421 1.00 0.00 S ATOM 0 H CYS B 7 -2.240 -10.331 4.154 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.414 -9.214 6.885 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -4.497 -10.829 6.059 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.372 -12.033 6.656 1.00 0.00 H new ATOM 423 N GLY B 8 -0.074 -10.361 5.922 1.00 0.00 N ATOM 424 CA GLY B 8 1.227 -11.085 6.030 1.00 0.00 C ATOM 425 C GLY B 8 1.629 -11.628 4.657 1.00 0.00 C ATOM 426 O GLY B 8 0.996 -12.520 4.128 1.00 0.00 O ATOM 0 H GLY B 8 -0.029 -9.452 5.461 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.998 -10.413 6.406 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.141 -11.903 6.745 1.00 0.00 H new ATOM 430 N SER B 9 2.676 -11.091 4.080 1.00 0.00 N ATOM 431 CA SER B 9 3.134 -11.560 2.735 1.00 0.00 C ATOM 432 C SER B 9 2.317 -10.863 1.643 1.00 0.00 C ATOM 433 O SER B 9 2.851 -10.407 0.654 1.00 0.00 O ATOM 434 CB SER B 9 2.956 -13.075 2.617 1.00 0.00 C ATOM 435 OG SER B 9 4.105 -13.635 1.996 1.00 0.00 O ATOM 0 H SER B 9 3.237 -10.342 4.486 1.00 0.00 H new ATOM 0 HA SER B 9 4.189 -11.315 2.615 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.812 -13.514 3.604 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.065 -13.304 2.033 1.00 0.00 H new ATOM 0 HG SER B 9 3.995 -14.606 1.920 1.00 0.00 H new ATOM 441 N GLU B 10 1.027 -10.765 1.823 1.00 0.00 N ATOM 442 CA GLU B 10 0.186 -10.083 0.795 1.00 0.00 C ATOM 443 C GLU B 10 0.290 -8.570 0.999 1.00 0.00 C ATOM 444 O GLU B 10 0.490 -7.822 0.063 1.00 0.00 O ATOM 445 CB GLU B 10 -1.291 -10.518 0.890 1.00 0.00 C ATOM 446 CG GLU B 10 -1.494 -11.556 1.999 1.00 0.00 C ATOM 447 CD GLU B 10 -0.684 -12.813 1.675 1.00 0.00 C ATOM 448 OE1 GLU B 10 -0.226 -12.924 0.549 1.00 0.00 O ATOM 449 OE2 GLU B 10 -0.536 -13.642 2.557 1.00 0.00 O ATOM 0 H GLU B 10 0.521 -11.125 2.632 1.00 0.00 H new ATOM 0 HA GLU B 10 0.551 -10.363 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -1.917 -9.647 1.084 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -1.612 -10.935 -0.065 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -1.180 -11.145 2.958 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -2.551 -11.805 2.090 1.00 0.00 H new ATOM 456 N LEU B 11 0.172 -8.111 2.217 1.00 0.00 N ATOM 457 CA LEU B 11 0.284 -6.647 2.470 1.00 0.00 C ATOM 458 C LEU B 11 1.594 -6.149 1.862 1.00 0.00 C ATOM 459 O LEU B 11 1.752 -4.982 1.557 1.00 0.00 O ATOM 460 CB LEU B 11 0.286 -6.387 3.979 1.00 0.00 C ATOM 461 CG LEU B 11 -0.614 -5.191 4.299 1.00 0.00 C ATOM 462 CD1 LEU B 11 -0.423 -4.787 5.763 1.00 0.00 C ATOM 463 CD2 LEU B 11 -0.244 -4.013 3.395 1.00 0.00 C ATOM 0 H LEU B 11 0.004 -8.685 3.043 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.559 -6.123 2.020 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.066 -7.271 4.510 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.302 -6.192 4.323 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.655 -5.466 4.128 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.064 -3.935 5.992 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.688 -5.624 6.409 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.618 -4.514 5.932 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.886 -3.163 3.625 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.797 -3.738 3.564 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.379 -4.298 2.352 1.00 0.00 H new ATOM 475 N VAL B 12 2.533 -7.036 1.676 1.00 0.00 N ATOM 476 CA VAL B 12 3.838 -6.641 1.080 1.00 0.00 C ATOM 477 C VAL B 12 3.685 -6.558 -0.444 1.00 0.00 C ATOM 478 O VAL B 12 4.247 -5.693 -1.089 1.00 0.00 O ATOM 479 CB VAL B 12 4.907 -7.680 1.494 1.00 0.00 C ATOM 480 CG1 VAL B 12 5.511 -8.394 0.277 1.00 0.00 C ATOM 481 CG2 VAL B 12 6.024 -6.964 2.255 1.00 0.00 C ATOM 0 H VAL B 12 2.450 -8.024 1.914 1.00 0.00 H new ATOM 0 HA VAL B 12 4.155 -5.662 1.441 1.00 0.00 H new ATOM 0 HB VAL B 12 4.425 -8.431 2.121 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.257 -9.115 0.611 1.00 0.00 H new ATOM 0 HG12 VAL B 12 4.723 -8.914 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL B 12 5.983 -7.661 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.784 -7.687 2.552 1.00 0.00 H new ATOM 0 HG22 VAL B 12 6.475 -6.207 1.613 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.611 -6.486 3.143 1.00 0.00 H new ATOM 491 N GLU B 13 2.928 -7.449 -1.024 1.00 0.00 N ATOM 492 CA GLU B 13 2.736 -7.419 -2.500 1.00 0.00 C ATOM 493 C GLU B 13 2.054 -6.109 -2.893 1.00 0.00 C ATOM 494 O GLU B 13 2.352 -5.523 -3.916 1.00 0.00 O ATOM 495 CB GLU B 13 1.862 -8.601 -2.925 1.00 0.00 C ATOM 496 CG GLU B 13 2.717 -9.868 -2.991 1.00 0.00 C ATOM 497 CD GLU B 13 2.203 -10.774 -4.112 1.00 0.00 C ATOM 498 OE1 GLU B 13 1.330 -11.581 -3.840 1.00 0.00 O ATOM 499 OE2 GLU B 13 2.694 -10.647 -5.221 1.00 0.00 O ATOM 0 H GLU B 13 2.434 -8.197 -0.538 1.00 0.00 H new ATOM 0 HA GLU B 13 3.703 -7.489 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.045 -8.737 -2.216 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.411 -8.403 -3.897 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.760 -9.607 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.679 -10.395 -2.037 1.00 0.00 H new ATOM 506 N ALA B 14 1.145 -5.635 -2.084 1.00 0.00 N ATOM 507 CA ALA B 14 0.457 -4.357 -2.407 1.00 0.00 C ATOM 508 C ALA B 14 1.493 -3.239 -2.455 1.00 0.00 C ATOM 509 O ALA B 14 1.554 -2.464 -3.389 1.00 0.00 O ATOM 510 CB ALA B 14 -0.572 -4.040 -1.319 1.00 0.00 C ATOM 0 H ALA B 14 0.851 -6.079 -1.214 1.00 0.00 H new ATOM 0 HA ALA B 14 -0.047 -4.444 -3.369 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.076 -3.103 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.306 -4.844 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -0.068 -3.947 -0.357 1.00 0.00 H new ATOM 516 N LEU B 15 2.312 -3.154 -1.446 1.00 0.00 N ATOM 517 CA LEU B 15 3.352 -2.093 -1.412 1.00 0.00 C ATOM 518 C LEU B 15 4.419 -2.401 -2.459 1.00 0.00 C ATOM 519 O LEU B 15 5.208 -1.554 -2.826 1.00 0.00 O ATOM 520 CB LEU B 15 3.980 -2.054 -0.021 1.00 0.00 C ATOM 521 CG LEU B 15 2.965 -1.479 0.962 1.00 0.00 C ATOM 522 CD1 LEU B 15 3.121 -2.158 2.323 1.00 0.00 C ATOM 523 CD2 LEU B 15 3.204 0.022 1.110 1.00 0.00 C ATOM 0 H LEU B 15 2.305 -3.778 -0.639 1.00 0.00 H new ATOM 0 HA LEU B 15 2.905 -1.124 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.277 -3.056 0.287 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.883 -1.443 -0.032 1.00 0.00 H new ATOM 0 HG LEU B 15 1.957 -1.656 0.588 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.394 -1.744 3.022 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.952 -3.230 2.216 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.128 -1.985 2.703 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.481 0.438 1.812 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.213 0.195 1.484 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.089 0.506 0.140 1.00 0.00 H new ATOM 535 N GLU B 16 4.440 -3.606 -2.955 1.00 0.00 N ATOM 536 CA GLU B 16 5.444 -3.965 -3.992 1.00 0.00 C ATOM 537 C GLU B 16 4.962 -3.426 -5.339 1.00 0.00 C ATOM 538 O GLU B 16 5.740 -3.185 -6.240 1.00 0.00 O ATOM 539 CB GLU B 16 5.583 -5.487 -4.064 1.00 0.00 C ATOM 540 CG GLU B 16 7.038 -5.852 -4.366 1.00 0.00 C ATOM 541 CD GLU B 16 7.142 -6.411 -5.787 1.00 0.00 C ATOM 542 OE1 GLU B 16 6.422 -5.928 -6.645 1.00 0.00 O ATOM 543 OE2 GLU B 16 7.939 -7.311 -5.992 1.00 0.00 O ATOM 0 H GLU B 16 3.805 -4.358 -2.687 1.00 0.00 H new ATOM 0 HA GLU B 16 6.413 -3.533 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU B 16 5.272 -5.936 -3.121 1.00 0.00 H new ATOM 0 HB3 GLU B 16 4.928 -5.887 -4.838 1.00 0.00 H new ATOM 0 HG2 GLU B 16 7.673 -4.972 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU B 16 7.395 -6.589 -3.647 1.00 0.00 H new ATOM 550 N LEU B 17 3.678 -3.229 -5.477 1.00 0.00 N ATOM 551 CA LEU B 17 3.135 -2.700 -6.759 1.00 0.00 C ATOM 552 C LEU B 17 3.183 -1.170 -6.733 1.00 0.00 C ATOM 553 O LEU B 17 3.484 -0.534 -7.724 1.00 0.00 O ATOM 554 CB LEU B 17 1.688 -3.168 -6.936 1.00 0.00 C ATOM 555 CG LEU B 17 1.579 -4.008 -8.209 1.00 0.00 C ATOM 556 CD1 LEU B 17 1.360 -5.475 -7.836 1.00 0.00 C ATOM 557 CD2 LEU B 17 0.397 -3.514 -9.047 1.00 0.00 C ATOM 0 H LEU B 17 2.981 -3.412 -4.755 1.00 0.00 H new ATOM 0 HA LEU B 17 3.734 -3.070 -7.591 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.375 -3.754 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.021 -2.308 -6.996 1.00 0.00 H new ATOM 0 HG LEU B 17 2.499 -3.913 -8.786 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.282 -6.074 -8.744 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.201 -5.828 -7.239 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.440 -5.570 -7.259 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.319 -4.113 -9.955 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -0.523 -3.608 -8.470 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.552 -2.469 -9.314 1.00 0.00 H new ATOM 569 N VAL B 18 2.904 -0.569 -5.605 1.00 0.00 N ATOM 570 CA VAL B 18 2.954 0.921 -5.533 1.00 0.00 C ATOM 571 C VAL B 18 4.412 1.358 -5.551 1.00 0.00 C ATOM 572 O VAL B 18 4.807 2.226 -6.304 1.00 0.00 O ATOM 573 CB VAL B 18 2.312 1.431 -4.237 1.00 0.00 C ATOM 574 CG1 VAL B 18 1.580 2.745 -4.515 1.00 0.00 C ATOM 575 CG2 VAL B 18 1.320 0.406 -3.706 1.00 0.00 C ATOM 0 H VAL B 18 2.646 -1.041 -4.738 1.00 0.00 H new ATOM 0 HA VAL B 18 2.407 1.331 -6.382 1.00 0.00 H new ATOM 0 HB VAL B 18 3.093 1.592 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.123 3.109 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.289 3.485 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL B 18 0.805 2.579 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.870 0.778 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.540 0.236 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL B 18 1.839 -0.531 -3.503 1.00 0.00 H new ATOM 585 N CYS B 19 5.217 0.761 -4.717 1.00 0.00 N ATOM 586 CA CYS B 19 6.651 1.139 -4.672 1.00 0.00 C ATOM 587 C CYS B 19 7.431 0.301 -5.688 1.00 0.00 C ATOM 588 O CYS B 19 7.709 0.739 -6.787 1.00 0.00 O ATOM 589 CB CYS B 19 7.203 0.896 -3.266 1.00 0.00 C ATOM 590 SG CYS B 19 7.816 2.455 -2.585 1.00 0.00 S ATOM 0 H CYS B 19 4.940 0.027 -4.065 1.00 0.00 H new ATOM 0 HA CYS B 19 6.757 2.195 -4.919 1.00 0.00 H new ATOM 0 HB2 CYS B 19 6.424 0.487 -2.623 1.00 0.00 H new ATOM 0 HB3 CYS B 19 8.007 0.160 -3.301 1.00 0.00 H new ATOM 595 N GLY B 20 7.788 -0.904 -5.329 1.00 0.00 N ATOM 596 CA GLY B 20 8.548 -1.769 -6.275 1.00 0.00 C ATOM 597 C GLY B 20 10.044 -1.465 -6.171 1.00 0.00 C ATOM 598 O GLY B 20 10.740 -1.997 -5.330 1.00 0.00 O ATOM 0 H GLY B 20 7.586 -1.325 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.365 -2.819 -6.048 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.203 -1.598 -7.295 1.00 0.00 H new ATOM 602 N GLU B 21 10.547 -0.617 -7.027 1.00 0.00 N ATOM 603 CA GLU B 21 11.999 -0.281 -6.988 1.00 0.00 C ATOM 604 C GLU B 21 12.301 0.558 -5.742 1.00 0.00 C ATOM 605 O GLU B 21 13.150 0.217 -4.942 1.00 0.00 O ATOM 606 CB GLU B 21 12.365 0.515 -8.248 1.00 0.00 C ATOM 607 CG GLU B 21 13.698 1.242 -8.039 1.00 0.00 C ATOM 608 CD GLU B 21 14.213 1.758 -9.384 1.00 0.00 C ATOM 609 OE1 GLU B 21 14.042 1.060 -10.370 1.00 0.00 O ATOM 610 OE2 GLU B 21 14.773 2.842 -9.406 1.00 0.00 O ATOM 0 H GLU B 21 10.013 -0.141 -7.754 1.00 0.00 H new ATOM 0 HA GLU B 21 12.586 -1.198 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU B 21 12.437 -0.156 -9.104 1.00 0.00 H new ATOM 0 HB3 GLU B 21 11.579 1.236 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU B 21 13.567 2.072 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU B 21 14.427 0.566 -7.593 1.00 0.00 H new ATOM 617 N ARG B 22 11.622 1.658 -5.582 1.00 0.00 N ATOM 618 CA ARG B 22 11.877 2.529 -4.401 1.00 0.00 C ATOM 619 C ARG B 22 11.613 1.749 -3.110 1.00 0.00 C ATOM 620 O ARG B 22 12.058 2.130 -2.044 1.00 0.00 O ATOM 621 CB ARG B 22 10.954 3.747 -4.468 1.00 0.00 C ATOM 622 CG ARG B 22 10.945 4.290 -5.898 1.00 0.00 C ATOM 623 CD ARG B 22 9.635 3.897 -6.585 1.00 0.00 C ATOM 624 NE ARG B 22 9.059 5.087 -7.289 1.00 0.00 N ATOM 625 CZ ARG B 22 8.925 6.240 -6.682 1.00 0.00 C ATOM 626 NH1 ARG B 22 9.125 6.346 -5.393 1.00 0.00 N ATOM 627 NH2 ARG B 22 8.535 7.284 -7.361 1.00 0.00 N ATOM 0 H ARG B 22 10.899 1.993 -6.219 1.00 0.00 H new ATOM 0 HA ARG B 22 12.917 2.856 -4.408 1.00 0.00 H new ATOM 0 HB2 ARG B 22 9.944 3.471 -4.164 1.00 0.00 H new ATOM 0 HB3 ARG B 22 11.296 4.516 -3.776 1.00 0.00 H new ATOM 0 HG2 ARG B 22 11.051 5.375 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG B 22 11.794 3.892 -6.455 1.00 0.00 H new ATOM 0 HD2 ARG B 22 9.814 3.092 -7.298 1.00 0.00 H new ATOM 0 HD3 ARG B 22 8.926 3.519 -5.849 1.00 0.00 H new ATOM 0 HE ARG B 22 8.765 4.998 -8.262 1.00 0.00 H new ATOM 0 HH11 ARG B 22 9.389 5.525 -4.849 1.00 0.00 H new ATOM 0 HH12 ARG B 22 9.017 7.250 -4.933 1.00 0.00 H new ATOM 0 HH21 ARG B 22 8.337 7.199 -8.358 1.00 0.00 H new ATOM 0 HH22 ARG B 22 8.429 8.185 -6.895 1.00 0.00 H new ATOM 641 N GLY B 23 10.899 0.661 -3.193 1.00 0.00 N ATOM 642 CA GLY B 23 10.616 -0.139 -1.968 1.00 0.00 C ATOM 643 C GLY B 23 9.948 0.750 -0.915 1.00 0.00 C ATOM 644 O GLY B 23 9.987 1.961 -0.994 1.00 0.00 O ATOM 0 H GLY B 23 10.499 0.291 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY B 23 9.967 -0.980 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY B 23 11.542 -0.556 -1.572 1.00 0.00 H new ATOM 648 N PHE B 24 9.333 0.156 0.072 1.00 0.00 N ATOM 649 CA PHE B 24 8.659 0.964 1.131 1.00 0.00 C ATOM 650 C PHE B 24 9.252 0.605 2.497 1.00 0.00 C ATOM 651 O PHE B 24 10.236 -0.102 2.588 1.00 0.00 O ATOM 652 CB PHE B 24 7.161 0.656 1.124 1.00 0.00 C ATOM 653 CG PHE B 24 6.949 -0.784 0.744 1.00 0.00 C ATOM 654 CD1 PHE B 24 7.103 -1.171 -0.587 1.00 0.00 C ATOM 655 CD2 PHE B 24 6.596 -1.728 1.714 1.00 0.00 C ATOM 656 CE1 PHE B 24 6.910 -2.507 -0.957 1.00 0.00 C ATOM 657 CE2 PHE B 24 6.401 -3.065 1.347 1.00 0.00 C ATOM 658 CZ PHE B 24 6.558 -3.455 0.011 1.00 0.00 C ATOM 0 H PHE B 24 9.268 -0.855 0.191 1.00 0.00 H new ATOM 0 HA PHE B 24 8.812 2.026 0.938 1.00 0.00 H new ATOM 0 HB2 PHE B 24 6.734 0.851 2.108 1.00 0.00 H new ATOM 0 HB3 PHE B 24 6.647 1.309 0.419 1.00 0.00 H new ATOM 0 HD1 PHE B 24 7.372 -0.438 -1.334 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.474 -1.426 2.744 1.00 0.00 H new ATOM 0 HE1 PHE B 24 7.032 -2.806 -1.988 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.129 -3.796 2.094 1.00 0.00 H new ATOM 0 HZ PHE B 24 6.408 -4.486 -0.272 1.00 0.00 H new ATOM 668 N PHE B 25 8.669 1.088 3.561 1.00 0.00 N ATOM 669 CA PHE B 25 9.212 0.771 4.913 1.00 0.00 C ATOM 670 C PHE B 25 8.744 -0.623 5.348 1.00 0.00 C ATOM 671 O PHE B 25 9.430 -1.325 6.065 1.00 0.00 O ATOM 672 CB PHE B 25 8.736 1.834 5.921 1.00 0.00 C ATOM 673 CG PHE B 25 7.387 1.459 6.492 1.00 0.00 C ATOM 674 CD1 PHE B 25 6.274 1.336 5.652 1.00 0.00 C ATOM 675 CD2 PHE B 25 7.254 1.232 7.867 1.00 0.00 C ATOM 676 CE1 PHE B 25 5.029 0.985 6.186 1.00 0.00 C ATOM 677 CE2 PHE B 25 6.008 0.882 8.401 1.00 0.00 C ATOM 678 CZ PHE B 25 4.895 0.758 7.561 1.00 0.00 C ATOM 0 H PHE B 25 7.843 1.686 3.553 1.00 0.00 H new ATOM 0 HA PHE B 25 10.301 0.778 4.878 1.00 0.00 H new ATOM 0 HB2 PHE B 25 9.464 1.931 6.727 1.00 0.00 H new ATOM 0 HB3 PHE B 25 8.672 2.805 5.431 1.00 0.00 H new ATOM 0 HD1 PHE B 25 6.376 1.512 4.591 1.00 0.00 H new ATOM 0 HD2 PHE B 25 8.112 1.327 8.516 1.00 0.00 H new ATOM 0 HE1 PHE B 25 4.171 0.889 5.537 1.00 0.00 H new ATOM 0 HE2 PHE B 25 5.905 0.708 9.462 1.00 0.00 H new ATOM 0 HZ PHE B 25 3.934 0.488 7.973 1.00 0.00 H new ATOM 688 N TYR B 26 7.579 -1.027 4.919 1.00 0.00 N ATOM 689 CA TYR B 26 7.066 -2.371 5.309 1.00 0.00 C ATOM 690 C TYR B 26 7.792 -3.449 4.499 1.00 0.00 C ATOM 691 O TYR B 26 8.027 -3.296 3.317 1.00 0.00 O ATOM 692 CB TYR B 26 5.561 -2.439 5.025 1.00 0.00 C ATOM 693 CG TYR B 26 5.012 -3.771 5.474 1.00 0.00 C ATOM 694 CD1 TYR B 26 4.759 -4.003 6.832 1.00 0.00 C ATOM 695 CD2 TYR B 26 4.745 -4.773 4.532 1.00 0.00 C ATOM 696 CE1 TYR B 26 4.241 -5.238 7.247 1.00 0.00 C ATOM 697 CE2 TYR B 26 4.226 -6.005 4.948 1.00 0.00 C ATOM 698 CZ TYR B 26 3.975 -6.238 6.305 1.00 0.00 C ATOM 699 OH TYR B 26 3.462 -7.453 6.713 1.00 0.00 O ATOM 0 H TYR B 26 6.961 -0.485 4.316 1.00 0.00 H new ATOM 0 HA TYR B 26 7.244 -2.538 6.371 1.00 0.00 H new ATOM 0 HB2 TYR B 26 5.047 -1.630 5.545 1.00 0.00 H new ATOM 0 HB3 TYR B 26 5.377 -2.301 3.960 1.00 0.00 H new ATOM 0 HD1 TYR B 26 4.963 -3.231 7.559 1.00 0.00 H new ATOM 0 HD2 TYR B 26 4.940 -4.595 3.485 1.00 0.00 H new ATOM 0 HE1 TYR B 26 4.047 -5.418 8.294 1.00 0.00 H new ATOM 0 HE2 TYR B 26 4.019 -6.776 4.221 1.00 0.00 H new ATOM 0 HH TYR B 26 3.335 -8.033 5.933 1.00 0.00 H new ATOM 709 N GLU B 27 8.150 -4.536 5.125 1.00 0.00 N ATOM 710 CA GLU B 27 8.860 -5.620 4.389 1.00 0.00 C ATOM 711 C GLU B 27 8.153 -6.953 4.640 1.00 0.00 C ATOM 712 O GLU B 27 7.271 -7.038 5.471 1.00 0.00 O ATOM 713 CB GLU B 27 10.308 -5.709 4.878 1.00 0.00 C ATOM 714 CG GLU B 27 11.245 -5.157 3.801 1.00 0.00 C ATOM 715 CD GLU B 27 12.696 -5.446 4.190 1.00 0.00 C ATOM 716 OE1 GLU B 27 12.912 -6.400 4.919 1.00 0.00 O ATOM 717 OE2 GLU B 27 13.564 -4.710 3.751 1.00 0.00 O ATOM 0 H GLU B 27 7.982 -4.721 6.114 1.00 0.00 H new ATOM 0 HA GLU B 27 8.852 -5.399 3.322 1.00 0.00 H new ATOM 0 HB2 GLU B 27 10.426 -5.144 5.802 1.00 0.00 H new ATOM 0 HB3 GLU B 27 10.564 -6.744 5.102 1.00 0.00 H new ATOM 0 HG2 GLU B 27 11.018 -5.613 2.838 1.00 0.00 H new ATOM 0 HG3 GLU B 27 11.094 -4.083 3.688 1.00 0.00 H new ATOM 724 N PRO B 28 8.565 -7.956 3.910 1.00 0.00 N ATOM 725 CA PRO B 28 8.000 -9.323 4.009 1.00 0.00 C ATOM 726 C PRO B 28 8.224 -9.881 5.417 1.00 0.00 C ATOM 727 O PRO B 28 9.330 -9.896 5.921 1.00 0.00 O ATOM 728 CB PRO B 28 8.752 -10.166 2.974 1.00 0.00 C ATOM 729 CG PRO B 28 9.783 -9.251 2.286 1.00 0.00 C ATOM 730 CD PRO B 28 9.642 -7.852 2.899 1.00 0.00 C ATOM 0 HA PRO B 28 6.926 -9.331 3.822 1.00 0.00 H new ATOM 0 HB2 PRO B 28 9.249 -11.009 3.455 1.00 0.00 H new ATOM 0 HB3 PRO B 28 8.059 -10.580 2.242 1.00 0.00 H new ATOM 0 HG2 PRO B 28 10.793 -9.634 2.433 1.00 0.00 H new ATOM 0 HG3 PRO B 28 9.608 -9.217 1.211 1.00 0.00 H new ATOM 0 HD2 PRO B 28 10.577 -7.531 3.357 1.00 0.00 H new ATOM 0 HD3 PRO B 28 9.391 -7.115 2.136 1.00 0.00 H new ATOM 738 N LYS B 29 7.183 -10.339 6.056 1.00 0.00 N ATOM 739 CA LYS B 29 7.336 -10.893 7.431 1.00 0.00 C ATOM 740 C LYS B 29 8.572 -11.795 7.483 1.00 0.00 C ATOM 741 O LYS B 29 8.553 -12.830 6.839 1.00 0.00 O ATOM 742 CB LYS B 29 6.095 -11.710 7.794 1.00 0.00 C ATOM 743 CG LYS B 29 5.738 -12.642 6.633 1.00 0.00 C ATOM 744 CD LYS B 29 5.352 -14.017 7.182 1.00 0.00 C ATOM 745 CE LYS B 29 4.089 -14.513 6.477 1.00 0.00 C ATOM 746 NZ LYS B 29 3.132 -15.048 7.487 1.00 0.00 N ATOM 0 H LYS B 29 6.233 -10.354 5.685 1.00 0.00 H new ATOM 0 HA LYS B 29 7.452 -10.074 8.141 1.00 0.00 H new ATOM 0 HB2 LYS B 29 6.281 -12.292 8.697 1.00 0.00 H new ATOM 0 HB3 LYS B 29 5.259 -11.045 8.010 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.912 -12.224 6.058 1.00 0.00 H new ATOM 0 HG3 LYS B 29 6.585 -12.735 5.953 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.168 -14.723 7.029 1.00 0.00 H new ATOM 0 HD3 LYS B 29 5.181 -13.956 8.257 1.00 0.00 H new ATOM 0 HE2 LYS B 29 3.627 -13.698 5.919 1.00 0.00 H new ATOM 0 HE3 LYS B 29 4.344 -15.289 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 2.273 -15.385 7.007 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 3.574 -15.837 8.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 2.880 -14.296 8.159 1.00 0.00 H new TER 760 LYS B 29