USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 406 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 : amide:sc= -0.102 X(o=-0.1,f=-0.047) USER MOD Single : A 8 THR OG1 : rot -93:sc= 1.25 USER MOD Single : A 9 SER OG : rot 35:sc= 0.324 USER MOD Single : A 12 SER OG : rot 37:sc= 0.48 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.319 X(o=0.32,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.875 K(o=0.87,f=0) USER MOD Single : A 19 TYR OH : rot -16:sc= 0.671 USER MOD Single : A 21 ASN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : B 1 PHE N :NH3+ -111:sc= 0.104 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= -0.713 K(o=-0.71,f=-3.2!) USER MOD Single : B 5 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.15) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0032 X(o=-0.0032,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.19) USER MOD Single : B 30 THR OG1 : rot -13:sc= 0.648 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.429 4.507 -3.096 1.00 0.00 N ATOM 2 CA GLY A 1 -6.204 4.408 -4.560 1.00 0.00 C ATOM 3 C GLY A 1 -4.779 3.984 -4.868 1.00 0.00 C ATOM 4 O GLY A 1 -3.840 4.538 -4.300 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.411 4.798 -2.915 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.255 3.581 -2.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.779 5.211 -2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.901 3.689 -4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.409 5.371 -5.028 1.00 0.00 H new ATOM 10 N ILE A 2 -4.598 3.000 -5.760 1.00 0.00 N ATOM 11 CA ILE A 2 -3.300 2.332 -5.997 1.00 0.00 C ATOM 12 C ILE A 2 -2.534 2.896 -7.197 1.00 0.00 C ATOM 13 O ILE A 2 -1.316 3.013 -7.123 1.00 0.00 O ATOM 14 CB ILE A 2 -3.518 0.810 -6.083 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.209 0.064 -6.409 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.580 0.505 -7.139 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.223 -1.456 -6.204 1.00 0.00 C ATOM 0 H ILE A 2 -5.352 2.639 -6.345 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.651 2.543 -5.147 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.859 0.459 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.950 0.267 -7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.413 0.485 -5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.734 -0.572 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.516 0.991 -6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.248 0.879 -8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.248 -1.867 -6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.443 -1.680 -5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.988 -1.902 -6.840 1.00 0.00 H new ATOM 29 N VAL A 3 -3.217 3.308 -8.267 1.00 0.00 N ATOM 30 CA VAL A 3 -2.663 4.060 -9.405 1.00 0.00 C ATOM 31 C VAL A 3 -1.762 5.200 -8.971 1.00 0.00 C ATOM 32 O VAL A 3 -0.700 5.391 -9.559 1.00 0.00 O ATOM 33 CB VAL A 3 -3.797 4.632 -10.274 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.261 5.211 -11.594 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.873 3.594 -10.633 1.00 0.00 C ATOM 0 H VAL A 3 -4.214 3.121 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.063 3.352 -9.977 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.246 5.413 -9.660 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.090 5.606 -12.181 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.554 6.013 -11.379 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.758 4.426 -12.158 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.642 4.064 -11.246 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.417 2.774 -11.188 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.324 3.207 -9.719 1.00 0.00 H new ATOM 45 N GLU A 4 -2.126 5.924 -7.913 1.00 0.00 N ATOM 46 CA GLU A 4 -1.298 7.034 -7.442 1.00 0.00 C ATOM 47 C GLU A 4 0.084 6.559 -6.939 1.00 0.00 C ATOM 48 O GLU A 4 1.082 7.258 -7.109 1.00 0.00 O ATOM 49 CB GLU A 4 -2.061 7.825 -6.366 1.00 0.00 C ATOM 50 CG GLU A 4 -1.275 9.057 -5.898 1.00 0.00 C ATOM 51 CD GLU A 4 -2.117 9.954 -4.971 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.607 11.016 -5.423 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.278 9.617 -3.772 1.00 0.00 O ATOM 0 H GLU A 4 -2.976 5.766 -7.372 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.097 7.696 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.027 8.139 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.262 7.177 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.375 8.736 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.951 9.633 -6.765 1.00 0.00 H new ATOM 60 N GLN A 5 0.163 5.345 -6.386 1.00 0.00 N ATOM 61 CA GLN A 5 1.397 4.699 -5.932 1.00 0.00 C ATOM 62 C GLN A 5 2.159 4.012 -7.066 1.00 0.00 C ATOM 63 O GLN A 5 3.366 4.199 -7.209 1.00 0.00 O ATOM 64 CB GLN A 5 1.045 3.652 -4.861 1.00 0.00 C ATOM 65 CG GLN A 5 2.260 3.043 -4.137 1.00 0.00 C ATOM 66 CD GLN A 5 3.175 4.074 -3.476 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.057 4.388 -2.298 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.104 4.654 -4.203 1.00 0.00 N ATOM 0 H GLN A 5 -0.662 4.764 -6.237 1.00 0.00 H new ATOM 0 HA GLN A 5 2.045 5.478 -5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.391 4.114 -4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.477 2.848 -5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.905 2.348 -3.376 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.842 2.462 -4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.214 4.402 -5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.715 5.356 -3.785 1.00 0.00 H new ATOM 77 N CYS A 6 1.444 3.203 -7.849 1.00 0.00 N ATOM 78 CA CYS A 6 2.002 2.330 -8.885 1.00 0.00 C ATOM 79 C CYS A 6 2.324 3.033 -10.198 1.00 0.00 C ATOM 80 O CYS A 6 3.128 2.505 -10.952 1.00 0.00 O ATOM 81 CB CYS A 6 1.090 1.127 -9.136 1.00 0.00 C ATOM 82 SG CYS A 6 0.844 0.087 -7.679 1.00 0.00 S ATOM 0 H CYS A 6 0.429 3.134 -7.778 1.00 0.00 H new ATOM 0 HA CYS A 6 2.958 1.991 -8.487 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.121 1.483 -9.485 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.514 0.521 -9.937 1.00 0.00 H new ATOM 87 N CYS A 7 1.749 4.200 -10.491 1.00 0.00 N ATOM 88 CA CYS A 7 2.143 4.973 -11.669 1.00 0.00 C ATOM 89 C CYS A 7 3.333 5.910 -11.362 1.00 0.00 C ATOM 90 O CYS A 7 4.141 6.189 -12.253 1.00 0.00 O ATOM 91 CB CYS A 7 0.908 5.702 -12.220 1.00 0.00 C ATOM 92 SG CYS A 7 1.213 6.649 -13.736 1.00 0.00 S ATOM 0 H CYS A 7 1.012 4.629 -9.931 1.00 0.00 H new ATOM 0 HA CYS A 7 2.509 4.305 -12.449 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.125 4.969 -12.415 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.528 6.378 -11.454 1.00 0.00 H new ATOM 97 N THR A 8 3.492 6.355 -10.107 1.00 0.00 N ATOM 98 CA THR A 8 4.604 7.236 -9.681 1.00 0.00 C ATOM 99 C THR A 8 5.832 6.477 -9.184 1.00 0.00 C ATOM 100 O THR A 8 6.962 6.914 -9.419 1.00 0.00 O ATOM 101 CB THR A 8 4.168 8.212 -8.586 1.00 0.00 C ATOM 102 OG1 THR A 8 3.774 7.536 -7.412 1.00 0.00 O ATOM 103 CG2 THR A 8 3.014 9.083 -9.070 1.00 0.00 C ATOM 0 H THR A 8 2.852 6.116 -9.350 1.00 0.00 H new ATOM 0 HA THR A 8 4.881 7.780 -10.584 1.00 0.00 H new ATOM 0 HB THR A 8 5.030 8.838 -8.356 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.807 7.381 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.719 9.770 -8.277 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.330 9.652 -9.944 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.167 8.450 -9.336 1.00 0.00 H new ATOM 111 N SER A 9 5.623 5.328 -8.539 1.00 0.00 N ATOM 112 CA SER A 9 6.669 4.390 -8.122 1.00 0.00 C ATOM 113 C SER A 9 6.307 2.956 -8.518 1.00 0.00 C ATOM 114 O SER A 9 5.333 2.695 -9.220 1.00 0.00 O ATOM 115 CB SER A 9 6.981 4.558 -6.629 1.00 0.00 C ATOM 116 OG SER A 9 8.151 3.854 -6.243 1.00 0.00 O ATOM 0 H SER A 9 4.687 5.013 -8.283 1.00 0.00 H new ATOM 0 HA SER A 9 7.592 4.621 -8.653 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.105 5.617 -6.402 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.135 4.203 -6.041 1.00 0.00 H new ATOM 0 HG SER A 9 8.802 3.875 -6.975 1.00 0.00 H new ATOM 122 N ILE A 10 7.150 2.017 -8.125 1.00 0.00 N ATOM 123 CA ILE A 10 7.167 0.621 -8.555 1.00 0.00 C ATOM 124 C ILE A 10 6.271 -0.289 -7.703 1.00 0.00 C ATOM 125 O ILE A 10 6.202 -0.145 -6.481 1.00 0.00 O ATOM 126 CB ILE A 10 8.630 0.145 -8.616 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.337 0.309 -7.245 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.335 0.909 -9.748 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.856 0.166 -7.264 1.00 0.00 C ATOM 0 H ILE A 10 7.891 2.218 -7.453 1.00 0.00 H new ATOM 0 HA ILE A 10 6.730 0.555 -9.551 1.00 0.00 H new ATOM 0 HB ILE A 10 8.672 -0.922 -8.835 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.088 1.291 -6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.929 -0.430 -6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.375 0.588 -9.811 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.834 0.702 -10.694 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.297 1.979 -9.543 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.247 0.299 -6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.124 -0.826 -7.629 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.284 0.923 -7.921 1.00 0.00 H new ATOM 141 N CYS A 11 5.599 -1.241 -8.357 1.00 0.00 N ATOM 142 CA CYS A 11 4.643 -2.168 -7.738 1.00 0.00 C ATOM 143 C CYS A 11 4.850 -3.645 -8.141 1.00 0.00 C ATOM 144 O CYS A 11 5.565 -3.961 -9.094 1.00 0.00 O ATOM 145 CB CYS A 11 3.223 -1.679 -8.029 1.00 0.00 C ATOM 146 SG CYS A 11 2.719 -0.277 -7.009 1.00 0.00 S ATOM 0 H CYS A 11 5.707 -1.393 -9.360 1.00 0.00 H new ATOM 0 HA CYS A 11 4.820 -2.162 -6.662 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.153 -1.397 -9.080 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.525 -2.501 -7.872 1.00 0.00 H new ATOM 151 N SER A 12 4.218 -4.541 -7.373 1.00 0.00 N ATOM 152 CA SER A 12 4.299 -6.012 -7.428 1.00 0.00 C ATOM 153 C SER A 12 2.976 -6.619 -6.935 1.00 0.00 C ATOM 154 O SER A 12 2.084 -5.874 -6.522 1.00 0.00 O ATOM 155 CB SER A 12 5.472 -6.457 -6.542 1.00 0.00 C ATOM 156 OG SER A 12 5.713 -7.843 -6.670 1.00 0.00 O ATOM 0 H SER A 12 3.584 -4.234 -6.635 1.00 0.00 H new ATOM 0 HA SER A 12 4.465 -6.354 -8.450 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.369 -5.902 -6.817 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.256 -6.218 -5.501 1.00 0.00 H new ATOM 0 HG SER A 12 5.558 -8.118 -7.598 1.00 0.00 H new ATOM 162 N LEU A 13 2.832 -7.953 -6.890 1.00 0.00 N ATOM 163 CA LEU A 13 1.654 -8.615 -6.307 1.00 0.00 C ATOM 164 C LEU A 13 1.360 -8.113 -4.881 1.00 0.00 C ATOM 165 O LEU A 13 0.201 -7.964 -4.494 1.00 0.00 O ATOM 166 CB LEU A 13 1.802 -10.154 -6.267 1.00 0.00 C ATOM 167 CG LEU A 13 2.621 -10.860 -7.373 1.00 0.00 C ATOM 168 CD1 LEU A 13 4.034 -11.163 -6.875 1.00 0.00 C ATOM 169 CD2 LEU A 13 1.976 -12.191 -7.758 1.00 0.00 C ATOM 0 H LEU A 13 3.528 -8.602 -7.256 1.00 0.00 H new ATOM 0 HA LEU A 13 0.822 -8.356 -6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.250 -10.416 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.799 -10.581 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 13 2.651 -10.192 -8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.599 -11.660 -7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.532 -10.232 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.980 -11.814 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.568 -12.670 -8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.933 -12.841 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.966 -12.013 -8.128 1.00 0.00 H new ATOM 181 N TYR A 14 2.420 -7.764 -4.143 1.00 0.00 N ATOM 182 CA TYR A 14 2.385 -7.149 -2.812 1.00 0.00 C ATOM 183 C TYR A 14 1.547 -5.853 -2.741 1.00 0.00 C ATOM 184 O TYR A 14 1.145 -5.433 -1.652 1.00 0.00 O ATOM 185 CB TYR A 14 3.840 -6.890 -2.378 1.00 0.00 C ATOM 186 CG TYR A 14 4.151 -7.414 -0.992 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.546 -8.758 -0.834 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.023 -6.579 0.135 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.823 -9.267 0.452 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.303 -7.085 1.419 1.00 0.00 C ATOM 191 CZ TYR A 14 4.702 -8.429 1.582 1.00 0.00 C ATOM 192 OH TYR A 14 4.968 -8.907 2.829 1.00 0.00 O ATOM 0 H TYR A 14 3.373 -7.910 -4.475 1.00 0.00 H new ATOM 0 HA TYR A 14 1.885 -7.839 -2.132 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.515 -7.356 -3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.036 -5.818 -2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.637 -9.399 -1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.711 -5.552 0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.127 -10.296 0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.212 -6.442 2.282 1.00 0.00 H new ATOM 0 HH TYR A 14 4.835 -8.194 3.488 1.00 0.00 H new ATOM 202 N GLN A 15 1.277 -5.196 -3.875 1.00 0.00 N ATOM 203 CA GLN A 15 0.383 -4.047 -3.995 1.00 0.00 C ATOM 204 C GLN A 15 -0.876 -4.411 -4.793 1.00 0.00 C ATOM 205 O GLN A 15 -1.984 -4.158 -4.334 1.00 0.00 O ATOM 206 CB GLN A 15 1.180 -2.911 -4.651 1.00 0.00 C ATOM 207 CG GLN A 15 2.503 -2.615 -3.920 1.00 0.00 C ATOM 208 CD GLN A 15 2.311 -1.811 -2.637 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.464 -0.597 -2.602 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.950 -2.443 -1.538 1.00 0.00 N ATOM 0 H GLN A 15 1.693 -5.464 -4.767 1.00 0.00 H new ATOM 0 HA GLN A 15 0.031 -3.726 -3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.393 -3.173 -5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.570 -2.008 -4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.998 -3.556 -3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.166 -2.067 -4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.818 -3.454 -1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.802 -1.921 -0.674 1.00 0.00 H new ATOM 219 N LEU A 16 -0.718 -5.056 -5.953 1.00 0.00 N ATOM 220 CA LEU A 16 -1.791 -5.313 -6.922 1.00 0.00 C ATOM 221 C LEU A 16 -2.809 -6.360 -6.464 1.00 0.00 C ATOM 222 O LEU A 16 -3.957 -6.309 -6.894 1.00 0.00 O ATOM 223 CB LEU A 16 -1.165 -5.805 -8.229 1.00 0.00 C ATOM 224 CG LEU A 16 -0.548 -4.789 -9.188 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.629 -3.990 -9.885 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.378 -3.770 -8.549 1.00 0.00 C ATOM 0 H LEU A 16 0.184 -5.424 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.329 -4.372 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.389 -6.525 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.935 -6.348 -8.777 1.00 0.00 H new ATOM 0 HG LEU A 16 0.039 -5.406 -9.868 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.170 -3.272 -10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.272 -4.664 -10.451 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.224 -3.458 -9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.762 -3.096 -9.315 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.172 -3.196 -7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.210 -4.285 -8.069 1.00 0.00 H new ATOM 238 N GLU A 17 -2.438 -7.307 -5.600 1.00 0.00 N ATOM 239 CA GLU A 17 -3.357 -8.381 -5.177 1.00 0.00 C ATOM 240 C GLU A 17 -4.436 -7.865 -4.202 1.00 0.00 C ATOM 241 O GLU A 17 -5.389 -8.568 -3.862 1.00 0.00 O ATOM 242 CB GLU A 17 -2.565 -9.592 -4.661 1.00 0.00 C ATOM 243 CG GLU A 17 -3.298 -10.911 -4.941 1.00 0.00 C ATOM 244 CD GLU A 17 -2.643 -12.146 -4.284 1.00 0.00 C ATOM 245 OE1 GLU A 17 -1.520 -12.067 -3.728 1.00 0.00 O ATOM 246 OE2 GLU A 17 -3.269 -13.232 -4.345 1.00 0.00 O ATOM 0 H GLU A 17 -1.511 -7.357 -5.177 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.917 -8.730 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.584 -9.614 -5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.399 -9.488 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.325 -10.826 -4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.344 -11.067 -6.019 1.00 0.00 H new ATOM 253 N ASN A 18 -4.322 -6.588 -3.829 1.00 0.00 N ATOM 254 CA ASN A 18 -5.354 -5.830 -3.125 1.00 0.00 C ATOM 255 C ASN A 18 -6.493 -5.393 -4.055 1.00 0.00 C ATOM 256 O ASN A 18 -7.572 -5.058 -3.562 1.00 0.00 O ATOM 257 CB ASN A 18 -4.731 -4.583 -2.473 1.00 0.00 C ATOM 258 CG ASN A 18 -3.783 -4.918 -1.340 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.182 -5.267 -0.238 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.493 -4.846 -1.580 1.00 0.00 N ATOM 0 H ASN A 18 -3.483 -6.038 -4.015 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.775 -6.489 -2.366 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.195 -4.013 -3.232 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.527 -3.941 -2.095 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.824 -5.081 -0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.161 -4.555 -2.499 1.00 0.00 H new ATOM 267 N TYR A 19 -6.291 -5.385 -5.381 1.00 0.00 N ATOM 268 CA TYR A 19 -7.362 -4.985 -6.294 1.00 0.00 C ATOM 269 C TYR A 19 -8.360 -6.114 -6.535 1.00 0.00 C ATOM 270 O TYR A 19 -9.544 -5.856 -6.772 1.00 0.00 O ATOM 271 CB TYR A 19 -6.775 -4.637 -7.645 1.00 0.00 C ATOM 272 CG TYR A 19 -6.261 -3.250 -7.886 1.00 0.00 C ATOM 273 CD1 TYR A 19 -7.172 -2.196 -8.053 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.945 -3.132 -8.343 1.00 0.00 C ATOM 275 CE1 TYR A 19 -6.808 -1.091 -8.843 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.616 -2.100 -9.233 1.00 0.00 C ATOM 277 CZ TYR A 19 -5.571 -1.096 -9.528 1.00 0.00 C ATOM 278 OH TYR A 19 -5.297 -0.127 -10.439 1.00 0.00 O ATOM 0 H TYR A 19 -5.415 -5.645 -5.834 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.867 -4.136 -5.832 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.953 -5.328 -7.833 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.539 -4.838 -8.396 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.142 -2.233 -7.580 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.189 -3.829 -8.013 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.470 -0.242 -8.926 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.639 -2.070 -9.692 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.127 0.330 -10.690 1.00 0.00 H new ATOM 288 N CYS A 20 -7.870 -7.357 -6.537 1.00 0.00 N ATOM 289 CA CYS A 20 -8.682 -8.498 -6.914 1.00 0.00 C ATOM 290 C CYS A 20 -9.891 -8.660 -5.977 1.00 0.00 C ATOM 291 O CYS A 20 -9.766 -8.521 -4.756 1.00 0.00 O ATOM 292 CB CYS A 20 -7.871 -9.795 -6.930 1.00 0.00 C ATOM 293 SG CYS A 20 -6.193 -9.737 -7.595 1.00 0.00 S ATOM 0 H CYS A 20 -6.911 -7.590 -6.280 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.040 -8.302 -7.925 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.812 -10.165 -5.906 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.432 -10.533 -7.503 1.00 0.00 H new ATOM 298 N ASN A 21 -11.057 -8.987 -6.538 1.00 0.00 N ATOM 299 CA ASN A 21 -12.280 -9.150 -5.745 1.00 0.00 C ATOM 300 C ASN A 21 -12.347 -10.487 -4.966 1.00 0.00 C ATOM 301 O ASN A 21 -13.079 -10.577 -3.978 1.00 0.00 O ATOM 302 CB ASN A 21 -13.521 -8.896 -6.630 1.00 0.00 C ATOM 303 CG ASN A 21 -14.059 -10.154 -7.298 1.00 0.00 C ATOM 304 OD1 ASN A 21 -15.169 -10.599 -7.041 1.00 0.00 O ATOM 305 ND2 ASN A 21 -13.297 -10.769 -8.170 1.00 0.00 N ATOM 0 H ASN A 21 -11.181 -9.144 -7.538 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.264 -8.394 -4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.308 -8.453 -6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.266 -8.167 -7.399 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.630 -11.615 -8.631 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.371 -10.401 -8.387 1.00 0.00 H new ATOM 312 N SER A 22 -11.572 -11.491 -5.408 1.00 0.00 N ATOM 313 CA SER A 22 -11.338 -12.825 -4.803 1.00 0.00 C ATOM 314 C SER A 22 -12.575 -13.475 -4.152 1.00 0.00 C ATOM 315 O SER A 22 -13.492 -13.875 -4.905 1.00 0.00 O ATOM 316 CB SER A 22 -10.129 -12.756 -3.866 1.00 0.00 C ATOM 317 OG SER A 22 -8.982 -12.389 -4.623 1.00 0.00 O ATOM 318 OXT SER A 22 -12.617 -13.632 -2.910 1.00 0.00 O ATOM 0 H SER A 22 -11.044 -11.387 -6.274 1.00 0.00 H new ATOM 0 HA SER A 22 -11.115 -13.509 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.307 -12.029 -3.074 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.970 -13.720 -3.384 1.00 0.00 H new ATOM 0 HG SER A 22 -8.202 -12.340 -4.032 1.00 0.00 H new TER 324 SER A 22 ATOM 325 N PHE B 1 9.039 -12.652 -9.480 1.00 0.00 N ATOM 326 CA PHE B 1 8.261 -11.490 -9.980 1.00 0.00 C ATOM 327 C PHE B 1 9.173 -10.270 -10.156 1.00 0.00 C ATOM 328 O PHE B 1 10.264 -10.228 -9.579 1.00 0.00 O ATOM 329 CB PHE B 1 7.064 -11.174 -9.063 1.00 0.00 C ATOM 330 CG PHE B 1 5.881 -10.523 -9.764 1.00 0.00 C ATOM 331 CD1 PHE B 1 4.931 -11.332 -10.416 1.00 0.00 C ATOM 332 CD2 PHE B 1 5.707 -9.125 -9.745 1.00 0.00 C ATOM 333 CE1 PHE B 1 3.808 -10.750 -11.032 1.00 0.00 C ATOM 334 CE2 PHE B 1 4.598 -8.544 -10.382 1.00 0.00 C ATOM 335 CZ PHE B 1 3.645 -9.355 -11.025 1.00 0.00 C ATOM 0 H1 PHE B 1 9.103 -13.374 -10.226 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.996 -12.341 -9.216 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.564 -13.056 -8.648 1.00 0.00 H new ATOM 0 HA PHE B 1 7.853 -11.751 -10.956 1.00 0.00 H new ATOM 0 HB2 PHE B 1 6.728 -12.099 -8.595 1.00 0.00 H new ATOM 0 HB3 PHE B 1 7.401 -10.516 -8.262 1.00 0.00 H new ATOM 0 HD1 PHE B 1 5.065 -12.403 -10.443 1.00 0.00 H new ATOM 0 HD2 PHE B 1 6.428 -8.499 -9.240 1.00 0.00 H new ATOM 0 HE1 PHE B 1 3.070 -11.377 -11.511 1.00 0.00 H new ATOM 0 HE2 PHE B 1 4.476 -7.471 -10.378 1.00 0.00 H new ATOM 0 HZ PHE B 1 2.791 -8.907 -11.511 1.00 0.00 H new ATOM 347 N VAL B 2 8.754 -9.280 -10.949 1.00 0.00 N ATOM 348 CA VAL B 2 9.538 -8.074 -11.289 1.00 0.00 C ATOM 349 C VAL B 2 8.725 -6.784 -11.101 1.00 0.00 C ATOM 350 O VAL B 2 7.516 -6.756 -11.353 1.00 0.00 O ATOM 351 CB VAL B 2 10.125 -8.160 -12.716 1.00 0.00 C ATOM 352 CG1 VAL B 2 11.302 -9.143 -12.768 1.00 0.00 C ATOM 353 CG2 VAL B 2 9.106 -8.579 -13.786 1.00 0.00 C ATOM 0 H VAL B 2 7.834 -9.289 -11.389 1.00 0.00 H new ATOM 0 HA VAL B 2 10.372 -8.035 -10.588 1.00 0.00 H new ATOM 0 HB VAL B 2 10.452 -7.145 -12.944 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.697 -9.185 -13.783 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.085 -8.809 -12.088 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.961 -10.135 -12.470 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.595 -8.616 -14.759 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.707 -9.564 -13.543 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.292 -7.855 -13.816 1.00 0.00 H new ATOM 363 N LYS B 3 9.391 -5.721 -10.625 1.00 0.00 N ATOM 364 CA LYS B 3 8.779 -4.443 -10.218 1.00 0.00 C ATOM 365 C LYS B 3 8.903 -3.356 -11.290 1.00 0.00 C ATOM 366 O LYS B 3 10.000 -3.098 -11.789 1.00 0.00 O ATOM 367 CB LYS B 3 9.380 -3.972 -8.882 1.00 0.00 C ATOM 368 CG LYS B 3 9.321 -5.050 -7.786 1.00 0.00 C ATOM 369 CD LYS B 3 9.722 -4.524 -6.404 1.00 0.00 C ATOM 370 CE LYS B 3 11.185 -4.062 -6.360 1.00 0.00 C ATOM 371 NZ LYS B 3 11.580 -3.636 -4.991 1.00 0.00 N ATOM 0 H LYS B 3 10.404 -5.726 -10.508 1.00 0.00 H new ATOM 0 HA LYS B 3 7.712 -4.622 -10.088 1.00 0.00 H new ATOM 0 HB2 LYS B 3 10.418 -3.678 -9.040 1.00 0.00 H new ATOM 0 HB3 LYS B 3 8.846 -3.085 -8.541 1.00 0.00 H new ATOM 0 HG2 LYS B 3 8.310 -5.453 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS B 3 9.980 -5.874 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS B 3 9.072 -3.692 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS B 3 9.568 -5.306 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS B 3 11.834 -4.873 -6.692 1.00 0.00 H new ATOM 0 HE3 LYS B 3 11.328 -3.235 -7.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 12.574 -3.330 -4.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 10.976 -2.846 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 11.467 -4.433 -4.333 1.00 0.00 H new ATOM 385 N GLN B 4 7.791 -2.695 -11.617 1.00 0.00 N ATOM 386 CA GLN B 4 7.698 -1.610 -12.610 1.00 0.00 C ATOM 387 C GLN B 4 6.731 -0.511 -12.145 1.00 0.00 C ATOM 388 O GLN B 4 5.826 -0.773 -11.346 1.00 0.00 O ATOM 389 CB GLN B 4 7.138 -2.108 -13.960 1.00 0.00 C ATOM 390 CG GLN B 4 7.887 -3.214 -14.714 1.00 0.00 C ATOM 391 CD GLN B 4 7.788 -4.589 -14.057 1.00 0.00 C ATOM 392 OE1 GLN B 4 8.779 -5.282 -13.885 1.00 0.00 O ATOM 393 NE2 GLN B 4 6.612 -5.028 -13.653 1.00 0.00 N ATOM 0 H GLN B 4 6.892 -2.905 -11.183 1.00 0.00 H new ATOM 0 HA GLN B 4 8.715 -1.234 -12.722 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.121 -2.460 -13.785 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.067 -1.247 -14.624 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.494 -3.278 -15.729 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.938 -2.936 -14.796 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.779 -4.456 -13.792 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.536 -5.939 -13.201 1.00 0.00 H new ATOM 402 N HIS B 5 6.897 0.695 -12.690 1.00 0.00 N ATOM 403 CA HIS B 5 5.901 1.766 -12.611 1.00 0.00 C ATOM 404 C HIS B 5 4.920 1.616 -13.793 1.00 0.00 C ATOM 405 O HIS B 5 5.320 1.256 -14.902 1.00 0.00 O ATOM 406 CB HIS B 5 6.562 3.145 -12.545 1.00 0.00 C ATOM 407 CG HIS B 5 7.641 3.399 -13.568 1.00 0.00 C ATOM 408 ND1 HIS B 5 8.962 3.692 -13.304 1.00 0.00 N ATOM 409 CD2 HIS B 5 7.504 3.383 -14.933 1.00 0.00 C ATOM 410 CE1 HIS B 5 9.605 3.841 -14.476 1.00 0.00 C ATOM 411 NE2 HIS B 5 8.754 3.659 -15.505 1.00 0.00 N ATOM 0 H HIS B 5 7.737 0.959 -13.205 1.00 0.00 H new ATOM 0 HA HIS B 5 5.333 1.680 -11.685 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.789 3.905 -12.662 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.990 3.276 -11.551 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.590 3.191 -15.474 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.655 4.074 -14.578 1.00 0.00 H new ATOM 0 HE2 HIS B 5 8.975 3.711 -16.499 1.00 0.00 H new ATOM 419 N LEU B 6 3.630 1.820 -13.546 1.00 0.00 N ATOM 420 CA LEU B 6 2.528 1.476 -14.441 1.00 0.00 C ATOM 421 C LEU B 6 1.320 2.394 -14.214 1.00 0.00 C ATOM 422 O LEU B 6 0.872 2.577 -13.087 1.00 0.00 O ATOM 423 CB LEU B 6 2.091 0.033 -14.141 1.00 0.00 C ATOM 424 CG LEU B 6 3.172 -1.045 -14.128 1.00 0.00 C ATOM 425 CD1 LEU B 6 2.644 -2.286 -13.412 1.00 0.00 C ATOM 426 CD2 LEU B 6 3.671 -1.498 -15.498 1.00 0.00 C ATOM 0 H LEU B 6 3.309 2.249 -12.678 1.00 0.00 H new ATOM 0 HA LEU B 6 2.870 1.589 -15.470 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.598 0.026 -13.169 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.342 -0.252 -14.880 1.00 0.00 H new ATOM 0 HG LEU B 6 4.016 -0.577 -13.621 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.415 -3.056 -13.402 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.376 -2.028 -12.387 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.764 -2.661 -13.934 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.436 -2.264 -15.372 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.839 -1.907 -16.071 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.095 -0.647 -16.031 1.00 0.00 H new ATOM 438 N CYS B 7 0.732 2.895 -15.290 1.00 0.00 N ATOM 439 CA CYS B 7 -0.489 3.711 -15.272 1.00 0.00 C ATOM 440 C CYS B 7 -1.607 2.990 -16.040 1.00 0.00 C ATOM 441 O CYS B 7 -1.370 2.511 -17.155 1.00 0.00 O ATOM 442 CB CYS B 7 -0.206 5.090 -15.897 1.00 0.00 C ATOM 443 SG CYS B 7 -0.506 6.509 -14.807 1.00 0.00 S ATOM 0 H CYS B 7 1.096 2.745 -16.231 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.812 3.857 -14.241 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.834 5.117 -16.224 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.823 5.200 -16.789 1.00 0.00 H new ATOM 448 N GLY B 8 -2.816 2.915 -15.474 1.00 0.00 N ATOM 449 CA GLY B 8 -4.025 2.454 -16.179 1.00 0.00 C ATOM 450 C GLY B 8 -3.860 1.062 -16.796 1.00 0.00 C ATOM 451 O GLY B 8 -3.703 0.080 -16.076 1.00 0.00 O ATOM 0 H GLY B 8 -2.989 3.175 -14.503 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.863 2.440 -15.482 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.276 3.167 -16.965 1.00 0.00 H new ATOM 455 N SER B 9 -3.838 0.978 -18.129 1.00 0.00 N ATOM 456 CA SER B 9 -3.645 -0.265 -18.898 1.00 0.00 C ATOM 457 C SER B 9 -2.380 -1.053 -18.528 1.00 0.00 C ATOM 458 O SER B 9 -2.430 -2.280 -18.450 1.00 0.00 O ATOM 459 CB SER B 9 -3.551 0.086 -20.388 1.00 0.00 C ATOM 460 OG SER B 9 -4.703 0.797 -20.815 1.00 0.00 O ATOM 0 H SER B 9 -3.957 1.796 -18.726 1.00 0.00 H new ATOM 0 HA SER B 9 -4.500 -0.898 -18.661 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.660 0.687 -20.568 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.444 -0.826 -20.975 1.00 0.00 H new ATOM 0 HG SER B 9 -4.620 1.012 -21.768 1.00 0.00 H new ATOM 466 N HIS B 10 -1.256 -0.381 -18.242 1.00 0.00 N ATOM 467 CA HIS B 10 -0.032 -1.045 -17.762 1.00 0.00 C ATOM 468 C HIS B 10 -0.225 -1.586 -16.351 1.00 0.00 C ATOM 469 O HIS B 10 0.278 -2.652 -16.012 1.00 0.00 O ATOM 470 CB HIS B 10 1.129 -0.045 -17.726 1.00 0.00 C ATOM 471 CG HIS B 10 1.521 0.484 -19.075 1.00 0.00 C ATOM 472 ND1 HIS B 10 2.254 -0.151 -20.055 1.00 0.00 N ATOM 473 CD2 HIS B 10 1.184 1.715 -19.550 1.00 0.00 C ATOM 474 CE1 HIS B 10 2.352 0.686 -21.102 1.00 0.00 C ATOM 475 NE2 HIS B 10 1.710 1.844 -20.842 1.00 0.00 N ATOM 0 H HIS B 10 -1.168 0.631 -18.335 1.00 0.00 H new ATOM 0 HA HIS B 10 0.187 -1.865 -18.446 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.854 0.792 -17.085 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.995 -0.525 -17.270 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.610 2.462 -19.022 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.872 0.463 -22.022 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.625 2.650 -21.461 1.00 0.00 H new ATOM 483 N LEU B 11 -0.947 -0.842 -15.516 1.00 0.00 N ATOM 484 CA LEU B 11 -1.159 -1.188 -14.120 1.00 0.00 C ATOM 485 C LEU B 11 -2.071 -2.418 -14.059 1.00 0.00 C ATOM 486 O LEU B 11 -1.776 -3.377 -13.355 1.00 0.00 O ATOM 487 CB LEU B 11 -1.724 0.048 -13.399 1.00 0.00 C ATOM 488 CG LEU B 11 -1.238 0.248 -11.956 1.00 0.00 C ATOM 489 CD1 LEU B 11 -2.154 1.252 -11.297 1.00 0.00 C ATOM 490 CD2 LEU B 11 -1.268 -1.020 -11.125 1.00 0.00 C ATOM 0 H LEU B 11 -1.404 0.026 -15.796 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.235 -1.458 -13.609 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.466 0.935 -13.978 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.812 -0.022 -13.392 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.201 0.580 -12.005 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.834 1.416 -10.268 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.115 2.194 -11.844 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.175 0.871 -11.303 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.912 -0.804 -10.118 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.289 -1.398 -11.075 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.625 -1.771 -11.584 1.00 0.00 H new ATOM 502 N VAL B 12 -3.095 -2.444 -14.920 1.00 0.00 N ATOM 503 CA VAL B 12 -3.924 -3.621 -15.184 1.00 0.00 C ATOM 504 C VAL B 12 -3.072 -4.757 -15.753 1.00 0.00 C ATOM 505 O VAL B 12 -3.346 -5.896 -15.427 1.00 0.00 O ATOM 506 CB VAL B 12 -5.103 -3.301 -16.129 1.00 0.00 C ATOM 507 CG1 VAL B 12 -5.872 -4.543 -16.595 1.00 0.00 C ATOM 508 CG2 VAL B 12 -6.100 -2.382 -15.407 1.00 0.00 C ATOM 0 H VAL B 12 -3.375 -1.628 -15.464 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.350 -3.939 -14.233 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.666 -2.828 -17.008 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.685 -4.241 -17.255 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.197 -5.209 -17.132 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.282 -5.063 -15.729 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.933 -2.155 -16.072 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.475 -2.882 -14.514 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.601 -1.456 -15.122 1.00 0.00 H new ATOM 518 N GLU B 13 -1.999 -4.521 -16.508 1.00 0.00 N ATOM 519 CA GLU B 13 -1.138 -5.612 -17.001 1.00 0.00 C ATOM 520 C GLU B 13 -0.419 -6.340 -15.845 1.00 0.00 C ATOM 521 O GLU B 13 -0.109 -7.529 -15.960 1.00 0.00 O ATOM 522 CB GLU B 13 -0.162 -5.093 -18.065 1.00 0.00 C ATOM 523 CG GLU B 13 0.424 -6.221 -18.927 1.00 0.00 C ATOM 524 CD GLU B 13 1.276 -5.643 -20.072 1.00 0.00 C ATOM 525 OE1 GLU B 13 2.450 -5.265 -19.834 1.00 0.00 O ATOM 526 OE2 GLU B 13 0.789 -5.567 -21.228 1.00 0.00 O ATOM 0 H GLU B 13 -1.700 -3.589 -16.794 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.774 -6.357 -17.479 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.677 -4.379 -18.708 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.650 -4.554 -17.576 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.035 -6.879 -18.308 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.383 -6.828 -19.338 1.00 0.00 H new ATOM 533 N ALA B 14 -0.222 -5.671 -14.698 1.00 0.00 N ATOM 534 CA ALA B 14 0.207 -6.318 -13.463 1.00 0.00 C ATOM 535 C ALA B 14 -0.994 -6.906 -12.713 1.00 0.00 C ATOM 536 O ALA B 14 -0.997 -8.082 -12.384 1.00 0.00 O ATOM 537 CB ALA B 14 0.995 -5.314 -12.627 1.00 0.00 C ATOM 0 H ALA B 14 -0.358 -4.664 -14.608 1.00 0.00 H new ATOM 0 HA ALA B 14 0.864 -7.159 -13.686 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.321 -5.788 -11.701 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.867 -4.978 -13.188 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.361 -4.458 -12.394 1.00 0.00 H new ATOM 543 N LEU B 15 -2.054 -6.132 -12.505 1.00 0.00 N ATOM 544 CA LEU B 15 -3.298 -6.532 -11.854 1.00 0.00 C ATOM 545 C LEU B 15 -3.876 -7.852 -12.401 1.00 0.00 C ATOM 546 O LEU B 15 -4.129 -8.802 -11.669 1.00 0.00 O ATOM 547 CB LEU B 15 -4.278 -5.377 -12.108 1.00 0.00 C ATOM 548 CG LEU B 15 -5.269 -5.141 -10.994 1.00 0.00 C ATOM 549 CD1 LEU B 15 -6.223 -4.030 -11.435 1.00 0.00 C ATOM 550 CD2 LEU B 15 -6.013 -6.396 -10.629 1.00 0.00 C ATOM 0 H LEU B 15 -2.070 -5.156 -12.802 1.00 0.00 H new ATOM 0 HA LEU B 15 -3.122 -6.718 -10.795 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.708 -4.462 -12.270 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.826 -5.578 -13.028 1.00 0.00 H new ATOM 0 HG LEU B 15 -4.737 -4.837 -10.092 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -6.950 -3.840 -10.646 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -5.656 -3.120 -11.632 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.744 -4.336 -12.342 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.715 -6.181 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.559 -6.761 -11.499 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.305 -7.156 -10.300 1.00 0.00 H new ATOM 562 N TYR B 16 -4.017 -7.916 -13.718 1.00 0.00 N ATOM 563 CA TYR B 16 -4.559 -9.032 -14.496 1.00 0.00 C ATOM 564 C TYR B 16 -3.702 -10.289 -14.314 1.00 0.00 C ATOM 565 O TYR B 16 -4.226 -11.401 -14.271 1.00 0.00 O ATOM 566 CB TYR B 16 -4.616 -8.547 -15.962 1.00 0.00 C ATOM 567 CG TYR B 16 -5.468 -9.316 -16.954 1.00 0.00 C ATOM 568 CD1 TYR B 16 -6.438 -8.614 -17.697 1.00 0.00 C ATOM 569 CD2 TYR B 16 -5.260 -10.688 -17.197 1.00 0.00 C ATOM 570 CE1 TYR B 16 -7.252 -9.300 -18.622 1.00 0.00 C ATOM 571 CE2 TYR B 16 -6.066 -11.378 -18.116 1.00 0.00 C ATOM 572 CZ TYR B 16 -7.070 -10.687 -18.832 1.00 0.00 C ATOM 573 OH TYR B 16 -7.847 -11.361 -19.726 1.00 0.00 O ATOM 0 H TYR B 16 -3.738 -7.138 -14.316 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.557 -9.318 -14.162 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.968 -7.515 -15.955 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.596 -8.533 -16.345 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.558 -7.550 -17.558 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -4.475 -11.213 -16.673 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.014 -8.766 -19.170 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -5.919 -12.436 -18.276 1.00 0.00 H new ATOM 0 HH TYR B 16 -7.583 -12.305 -19.742 1.00 0.00 H new ATOM 583 N LEU B 17 -2.395 -10.126 -14.108 1.00 0.00 N ATOM 584 CA LEU B 17 -1.450 -11.216 -13.882 1.00 0.00 C ATOM 585 C LEU B 17 -1.485 -11.684 -12.422 1.00 0.00 C ATOM 586 O LEU B 17 -1.475 -12.876 -12.124 1.00 0.00 O ATOM 587 CB LEU B 17 -0.062 -10.661 -14.235 1.00 0.00 C ATOM 588 CG LEU B 17 1.091 -11.647 -14.012 1.00 0.00 C ATOM 589 CD1 LEU B 17 0.940 -12.937 -14.821 1.00 0.00 C ATOM 590 CD2 LEU B 17 2.411 -10.984 -14.403 1.00 0.00 C ATOM 0 H LEU B 17 -1.954 -9.206 -14.094 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.702 -12.082 -14.494 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.063 -10.353 -15.280 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.121 -9.767 -13.639 1.00 0.00 H new ATOM 0 HG LEU B 17 1.076 -11.913 -12.955 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.787 -13.594 -14.620 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.016 -13.439 -14.536 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.910 -12.698 -15.884 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.231 -11.685 -14.245 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.377 -10.697 -15.454 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.568 -10.097 -13.790 1.00 0.00 H new ATOM 602 N VAL B 18 -1.567 -10.705 -11.529 1.00 0.00 N ATOM 603 CA VAL B 18 -1.597 -10.823 -10.078 1.00 0.00 C ATOM 604 C VAL B 18 -2.881 -11.504 -9.606 1.00 0.00 C ATOM 605 O VAL B 18 -2.851 -12.349 -8.712 1.00 0.00 O ATOM 606 CB VAL B 18 -1.420 -9.404 -9.490 1.00 0.00 C ATOM 607 CG1 VAL B 18 -1.730 -9.409 -8.004 1.00 0.00 C ATOM 608 CG2 VAL B 18 0.060 -9.014 -9.663 1.00 0.00 C ATOM 0 H VAL B 18 -1.618 -9.730 -11.826 1.00 0.00 H new ATOM 0 HA VAL B 18 -0.786 -11.459 -9.724 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.089 -8.708 -9.997 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -1.602 -8.404 -7.602 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -2.759 -9.733 -7.848 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.052 -10.093 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.223 -8.015 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.689 -9.728 -9.131 1.00 0.00 H new ATOM 0 HG23 VAL B 18 0.317 -9.022 -10.722 1.00 0.00 H new ATOM 618 N CYS B 19 -3.999 -11.205 -10.261 1.00 0.00 N ATOM 619 CA CYS B 19 -5.271 -11.877 -10.024 1.00 0.00 C ATOM 620 C CYS B 19 -5.354 -13.177 -10.828 1.00 0.00 C ATOM 621 O CYS B 19 -6.051 -14.107 -10.421 1.00 0.00 O ATOM 622 CB CYS B 19 -6.397 -10.933 -10.435 1.00 0.00 C ATOM 623 SG CYS B 19 -6.504 -9.363 -9.553 1.00 0.00 S ATOM 0 H CYS B 19 -4.047 -10.482 -10.979 1.00 0.00 H new ATOM 0 HA CYS B 19 -5.360 -12.131 -8.968 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.290 -10.719 -11.498 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.344 -11.458 -10.310 1.00 0.00 H new ATOM 628 N GLY B 20 -4.654 -13.214 -11.971 1.00 0.00 N ATOM 629 CA GLY B 20 -4.620 -14.265 -12.992 1.00 0.00 C ATOM 630 C GLY B 20 -5.928 -14.416 -13.769 1.00 0.00 C ATOM 631 O GLY B 20 -5.990 -14.300 -14.993 1.00 0.00 O ATOM 0 H GLY B 20 -4.043 -12.438 -12.225 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -3.814 -14.050 -13.694 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.381 -15.215 -12.514 1.00 0.00 H new ATOM 635 N GLU B 21 -6.984 -14.684 -13.006 1.00 0.00 N ATOM 636 CA GLU B 21 -8.352 -15.012 -13.453 1.00 0.00 C ATOM 637 C GLU B 21 -9.454 -14.610 -12.445 1.00 0.00 C ATOM 638 O GLU B 21 -10.635 -14.610 -12.801 1.00 0.00 O ATOM 639 CB GLU B 21 -8.471 -16.531 -13.710 1.00 0.00 C ATOM 640 CG GLU B 21 -7.634 -17.042 -14.890 1.00 0.00 C ATOM 641 CD GLU B 21 -7.961 -18.517 -15.198 1.00 0.00 C ATOM 642 OE1 GLU B 21 -7.354 -19.426 -14.579 1.00 0.00 O ATOM 643 OE2 GLU B 21 -8.824 -18.784 -16.070 1.00 0.00 O ATOM 0 H GLU B 21 -6.911 -14.680 -11.989 1.00 0.00 H new ATOM 0 HA GLU B 21 -8.510 -14.434 -14.363 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.169 -17.064 -12.809 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.518 -16.776 -13.890 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -7.829 -16.430 -15.771 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.573 -16.941 -14.660 1.00 0.00 H new ATOM 650 N ARG B 22 -9.099 -14.277 -11.189 1.00 0.00 N ATOM 651 CA ARG B 22 -10.053 -14.092 -10.068 1.00 0.00 C ATOM 652 C ARG B 22 -11.040 -12.930 -10.238 1.00 0.00 C ATOM 653 O ARG B 22 -12.145 -12.985 -9.699 1.00 0.00 O ATOM 654 CB ARG B 22 -9.261 -13.937 -8.756 1.00 0.00 C ATOM 655 CG ARG B 22 -8.667 -15.281 -8.305 1.00 0.00 C ATOM 656 CD ARG B 22 -7.786 -15.124 -7.061 1.00 0.00 C ATOM 657 NE ARG B 22 -6.461 -14.555 -7.376 1.00 0.00 N ATOM 658 CZ ARG B 22 -5.544 -14.227 -6.484 1.00 0.00 C ATOM 659 NH1 ARG B 22 -4.355 -13.834 -6.815 1.00 0.00 N ATOM 660 NH2 ARG B 22 -5.743 -14.283 -5.201 1.00 0.00 N ATOM 0 H ARG B 22 -8.128 -14.126 -10.916 1.00 0.00 H new ATOM 0 HA ARG B 22 -10.678 -14.985 -10.050 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.460 -13.211 -8.895 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.915 -13.545 -7.977 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.474 -15.982 -8.093 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.078 -15.709 -9.116 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.292 -14.482 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -7.657 -16.096 -6.586 1.00 0.00 H new ATOM 0 HE ARG B 22 -6.236 -14.403 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -4.095 -13.768 -7.799 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -3.678 -13.591 -6.091 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -6.644 -14.593 -4.838 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -4.998 -14.017 -4.557 1.00 0.00 H new ATOM 674 N GLY B 23 -10.659 -11.900 -10.994 1.00 0.00 N ATOM 675 CA GLY B 23 -11.448 -10.695 -11.260 1.00 0.00 C ATOM 676 C GLY B 23 -11.127 -9.556 -10.289 1.00 0.00 C ATOM 677 O GLY B 23 -10.708 -9.787 -9.161 1.00 0.00 O ATOM 0 H GLY B 23 -9.751 -11.881 -11.459 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.262 -10.361 -12.281 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.509 -10.937 -11.193 1.00 0.00 H new ATOM 681 N PHE B 24 -11.313 -8.326 -10.751 1.00 0.00 N ATOM 682 CA PHE B 24 -10.884 -7.049 -10.170 1.00 0.00 C ATOM 683 C PHE B 24 -11.614 -5.839 -10.792 1.00 0.00 C ATOM 684 O PHE B 24 -12.391 -5.978 -11.740 1.00 0.00 O ATOM 685 CB PHE B 24 -9.382 -6.905 -10.465 1.00 0.00 C ATOM 686 CG PHE B 24 -8.975 -7.006 -11.931 1.00 0.00 C ATOM 687 CD1 PHE B 24 -8.799 -5.840 -12.706 1.00 0.00 C ATOM 688 CD2 PHE B 24 -8.689 -8.264 -12.499 1.00 0.00 C ATOM 689 CE1 PHE B 24 -8.335 -5.933 -14.030 1.00 0.00 C ATOM 690 CE2 PHE B 24 -8.274 -8.360 -13.839 1.00 0.00 C ATOM 691 CZ PHE B 24 -8.094 -7.193 -14.601 1.00 0.00 C ATOM 0 H PHE B 24 -11.816 -8.178 -11.626 1.00 0.00 H new ATOM 0 HA PHE B 24 -11.112 -7.056 -9.104 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -9.048 -5.941 -10.081 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -8.847 -7.673 -9.906 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -9.022 -4.873 -12.281 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -8.789 -9.158 -11.902 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -8.164 -5.036 -14.607 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -8.094 -9.329 -14.282 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.769 -7.265 -15.629 1.00 0.00 H new ATOM 701 N PHE B 25 -11.320 -4.639 -10.276 1.00 0.00 N ATOM 702 CA PHE B 25 -11.671 -3.337 -10.857 1.00 0.00 C ATOM 703 C PHE B 25 -10.428 -2.422 -10.877 1.00 0.00 C ATOM 704 O PHE B 25 -9.487 -2.640 -10.113 1.00 0.00 O ATOM 705 CB PHE B 25 -12.849 -2.713 -10.094 1.00 0.00 C ATOM 706 CG PHE B 25 -13.264 -1.353 -10.622 1.00 0.00 C ATOM 707 CD1 PHE B 25 -13.695 -1.210 -11.958 1.00 0.00 C ATOM 708 CD2 PHE B 25 -13.161 -0.213 -9.800 1.00 0.00 C ATOM 709 CE1 PHE B 25 -13.994 0.061 -12.472 1.00 0.00 C ATOM 710 CE2 PHE B 25 -13.476 1.061 -10.312 1.00 0.00 C ATOM 711 CZ PHE B 25 -13.885 1.197 -11.650 1.00 0.00 C ATOM 0 H PHE B 25 -10.806 -4.545 -9.400 1.00 0.00 H new ATOM 0 HA PHE B 25 -11.996 -3.469 -11.889 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -13.703 -3.389 -10.145 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -12.580 -2.618 -9.042 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -13.795 -2.082 -12.587 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -12.840 -0.316 -8.774 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -14.308 0.167 -13.500 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -13.403 1.932 -9.678 1.00 0.00 H new ATOM 0 HZ PHE B 25 -14.116 2.175 -12.047 1.00 0.00 H new ATOM 721 N TYR B 26 -10.400 -1.420 -11.759 1.00 0.00 N ATOM 722 CA TYR B 26 -9.205 -0.615 -12.066 1.00 0.00 C ATOM 723 C TYR B 26 -8.977 0.577 -11.120 1.00 0.00 C ATOM 724 O TYR B 26 -7.865 1.101 -11.047 1.00 0.00 O ATOM 725 CB TYR B 26 -9.275 -0.133 -13.528 1.00 0.00 C ATOM 726 CG TYR B 26 -10.086 -1.004 -14.478 1.00 0.00 C ATOM 727 CD1 TYR B 26 -9.695 -2.333 -14.734 1.00 0.00 C ATOM 728 CD2 TYR B 26 -11.265 -0.496 -15.057 1.00 0.00 C ATOM 729 CE1 TYR B 26 -10.482 -3.154 -15.564 1.00 0.00 C ATOM 730 CE2 TYR B 26 -12.057 -1.312 -15.887 1.00 0.00 C ATOM 731 CZ TYR B 26 -11.664 -2.646 -16.145 1.00 0.00 C ATOM 732 OH TYR B 26 -12.420 -3.445 -16.946 1.00 0.00 O ATOM 0 H TYR B 26 -11.222 -1.136 -12.293 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.347 -1.270 -11.914 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -9.696 0.872 -13.539 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.259 -0.057 -13.914 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -8.790 -2.723 -14.293 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -11.563 0.524 -14.863 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -10.181 -4.173 -15.756 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -12.963 -0.920 -16.326 1.00 0.00 H new ATOM 0 HH TYR B 26 -13.200 -2.945 -17.265 1.00 0.00 H new ATOM 742 N THR B 27 -10.025 1.018 -10.410 1.00 0.00 N ATOM 743 CA THR B 27 -10.040 2.096 -9.394 1.00 0.00 C ATOM 744 C THR B 27 -9.158 3.334 -9.695 1.00 0.00 C ATOM 745 O THR B 27 -8.317 3.706 -8.870 1.00 0.00 O ATOM 746 CB THR B 27 -9.783 1.520 -7.980 1.00 0.00 C ATOM 747 OG1 THR B 27 -10.422 0.266 -7.824 1.00 0.00 O ATOM 748 CG2 THR B 27 -10.358 2.408 -6.869 1.00 0.00 C ATOM 0 H THR B 27 -10.950 0.607 -10.534 1.00 0.00 H new ATOM 0 HA THR B 27 -11.050 2.504 -9.439 1.00 0.00 H new ATOM 0 HB THR B 27 -8.699 1.449 -7.894 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.246 -0.081 -6.925 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.150 1.957 -5.899 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.898 3.395 -6.917 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.436 2.503 -7.001 1.00 0.00 H new ATOM 756 N PRO B 28 -9.315 4.014 -10.855 1.00 0.00 N ATOM 757 CA PRO B 28 -8.434 5.115 -11.257 1.00 0.00 C ATOM 758 C PRO B 28 -8.855 6.503 -10.730 1.00 0.00 C ATOM 759 O PRO B 28 -8.197 7.502 -11.032 1.00 0.00 O ATOM 760 CB PRO B 28 -8.425 5.044 -12.782 1.00 0.00 C ATOM 761 CG PRO B 28 -9.878 4.674 -13.085 1.00 0.00 C ATOM 762 CD PRO B 28 -10.235 3.712 -11.949 1.00 0.00 C ATOM 0 HA PRO B 28 -7.443 4.998 -10.819 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.142 5.995 -13.234 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.726 4.294 -13.153 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -10.525 5.551 -13.089 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -9.978 4.200 -14.061 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -11.270 3.847 -11.636 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -10.132 2.675 -12.270 1.00 0.00 H new ATOM 770 N LYS B 29 -9.940 6.595 -9.946 1.00 0.00 N ATOM 771 CA LYS B 29 -10.467 7.863 -9.398 1.00 0.00 C ATOM 772 C LYS B 29 -9.545 8.495 -8.350 1.00 0.00 C ATOM 773 O LYS B 29 -9.449 9.719 -8.284 1.00 0.00 O ATOM 774 CB LYS B 29 -11.896 7.616 -8.876 1.00 0.00 C ATOM 775 CG LYS B 29 -12.619 8.909 -8.453 1.00 0.00 C ATOM 776 CD LYS B 29 -14.147 8.741 -8.384 1.00 0.00 C ATOM 777 CE LYS B 29 -14.651 7.695 -7.376 1.00 0.00 C ATOM 778 NZ LYS B 29 -14.640 8.193 -5.979 1.00 0.00 N ATOM 0 H LYS B 29 -10.487 5.780 -9.668 1.00 0.00 H new ATOM 0 HA LYS B 29 -10.505 8.604 -10.196 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.478 7.119 -9.652 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.853 6.936 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -12.248 9.225 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.377 9.703 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.590 9.705 -8.134 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.511 8.470 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.665 7.398 -7.643 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.029 6.802 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.825 7.404 -5.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -13.711 8.608 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.377 8.917 -5.863 1.00 0.00 H new ATOM 792 N THR B 30 -8.833 7.680 -7.564 1.00 0.00 N ATOM 793 CA THR B 30 -7.838 8.072 -6.529 1.00 0.00 C ATOM 794 C THR B 30 -8.339 9.020 -5.419 1.00 0.00 C ATOM 795 O THR B 30 -7.537 9.542 -4.639 1.00 0.00 O ATOM 796 CB THR B 30 -6.505 8.560 -7.144 1.00 0.00 C ATOM 797 OG1 THR B 30 -6.649 9.765 -7.865 1.00 0.00 O ATOM 798 CG2 THR B 30 -5.877 7.522 -8.082 1.00 0.00 C ATOM 0 H THR B 30 -8.933 6.667 -7.628 1.00 0.00 H new ATOM 0 HA THR B 30 -7.653 7.135 -6.003 1.00 0.00 H new ATOM 0 HB THR B 30 -5.851 8.724 -6.288 1.00 0.00 H new ATOM 0 HG1 THR B 30 -7.601 9.947 -8.011 1.00 0.00 H new ATOM 0 HG21 THR B 30 -4.944 7.914 -8.486 1.00 0.00 H new ATOM 0 HG22 THR B 30 -5.675 6.606 -7.528 1.00 0.00 H new ATOM 0 HG23 THR B 30 -6.565 7.307 -8.900 1.00 0.00 H new ATOM 806 N ARG B 31 -9.661 9.218 -5.311 1.00 0.00 N ATOM 807 CA ARG B 31 -10.347 10.146 -4.394 1.00 0.00 C ATOM 808 C ARG B 31 -11.627 9.514 -3.841 1.00 0.00 C ATOM 809 O ARG B 31 -11.886 9.649 -2.625 1.00 0.00 O ATOM 810 CB ARG B 31 -10.676 11.459 -5.131 1.00 0.00 C ATOM 811 CG ARG B 31 -9.426 12.275 -5.516 1.00 0.00 C ATOM 812 CD ARG B 31 -9.781 13.575 -6.253 1.00 0.00 C ATOM 813 NE ARG B 31 -10.417 13.331 -7.566 1.00 0.00 N ATOM 814 CZ ARG B 31 -9.817 13.012 -8.696 1.00 0.00 C ATOM 815 NH1 ARG B 31 -8.527 12.855 -8.787 1.00 0.00 N ATOM 816 NH2 ARG B 31 -10.513 12.859 -9.783 1.00 0.00 N ATOM 817 OXT ARG B 31 -12.363 8.885 -4.637 1.00 0.00 O ATOM 0 H ARG B 31 -10.321 8.705 -5.895 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.685 10.362 -3.556 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -11.242 11.228 -6.033 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -11.319 12.071 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -8.860 12.514 -4.616 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -8.779 11.667 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.453 14.168 -5.633 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -8.876 14.165 -6.396 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.433 13.419 -7.601 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -7.939 12.979 -7.963 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -8.105 12.608 -9.682 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -11.525 12.986 -9.763 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -10.047 12.612 -10.656 1.00 0.00 H new TER 831 ARG B 31