USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.089) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 23:sc= -1.73! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 87:sc= 0.99 USER MOD Single : A 34 ASN : amide:sc= -3.83! C(o=-3.8!,f=-6.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 22:sc= 0.946 USER MOD Single : A 42 ASN : amide:sc= -4.95! K(o=-4.9!,f=-1.4) USER MOD Single : A 43 HIS : no HD1:sc= -18.5! C(o=-18!,f=-18!) USER MOD Single : A 44 SER OG : rot 79:sc= -0.389! USER MOD Single : A 48 ASN : amide:sc= -0.763 K(o=-0.76,f=-2.3!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.417 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.484 X(o=-0.48,f=-0.63!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 57:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 8.576 8.591 -8.132 1.00 0.00 N ATOM 2 CA ASN A 1 8.714 8.302 -6.675 1.00 0.00 C ATOM 3 C ASN A 1 10.149 7.874 -6.356 1.00 0.00 C ATOM 4 O ASN A 1 10.503 6.722 -6.511 1.00 0.00 O ATOM 5 CB ASN A 1 7.739 7.156 -6.405 1.00 0.00 C ATOM 6 CG ASN A 1 6.835 7.524 -5.226 1.00 0.00 C ATOM 7 OD1 ASN A 1 5.657 7.227 -5.234 1.00 0.00 O ATOM 8 ND2 ASN A 1 7.341 8.163 -4.208 1.00 0.00 N ATOM 0 H1 ASN A 1 7.598 8.880 -8.337 1.00 0.00 H new ATOM 0 H2 ASN A 1 9.227 9.357 -8.397 1.00 0.00 H new ATOM 0 H3 ASN A 1 8.806 7.737 -8.679 1.00 0.00 H new ATOM 0 HA ASN A 1 8.498 9.174 -6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 1 7.137 6.960 -7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 1 8.288 6.241 -6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 1 6.748 8.414 -3.417 1.00 0.00 H new ATOM 0 HD22 ASN A 1 8.330 8.412 -4.203 1.00 0.00 H new ATOM 17 N PRO A 2 10.927 8.826 -5.919 1.00 0.00 N ATOM 18 CA PRO A 2 12.344 8.556 -5.572 1.00 0.00 C ATOM 19 C PRO A 2 12.435 7.781 -4.254 1.00 0.00 C ATOM 20 O PRO A 2 11.571 7.877 -3.405 1.00 0.00 O ATOM 21 CB PRO A 2 12.948 9.950 -5.428 1.00 0.00 C ATOM 22 CG PRO A 2 11.797 10.842 -5.092 1.00 0.00 C ATOM 23 CD PRO A 2 10.564 10.232 -5.710 1.00 0.00 C ATOM 0 HA PRO A 2 12.859 7.948 -6.316 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.705 9.972 -4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.435 10.266 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.682 10.931 -4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.964 11.847 -5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.700 10.327 -5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.305 10.721 -6.649 1.00 0.00 H new ATOM 31 N LEU A 3 13.477 7.014 -4.079 1.00 0.00 N ATOM 32 CA LEU A 3 13.627 6.233 -2.817 1.00 0.00 C ATOM 33 C LEU A 3 12.399 5.346 -2.592 1.00 0.00 C ATOM 34 O LEU A 3 11.482 5.325 -3.389 1.00 0.00 O ATOM 35 CB LEU A 3 13.742 7.282 -1.710 1.00 0.00 C ATOM 36 CG LEU A 3 15.055 7.081 -0.951 1.00 0.00 C ATOM 37 CD1 LEU A 3 15.441 8.381 -0.244 1.00 0.00 C ATOM 38 CD2 LEU A 3 14.879 5.970 0.087 1.00 0.00 C ATOM 0 H LEU A 3 14.231 6.894 -4.755 1.00 0.00 H new ATOM 0 HA LEU A 3 14.494 5.573 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.707 8.284 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.898 7.198 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 3 15.841 6.802 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.377 8.237 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.566 9.173 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.655 8.660 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.814 5.826 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.093 6.249 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.604 5.043 -0.416 1.00 0.00 H new ATOM 50 N ILE A 4 12.377 4.612 -1.513 1.00 0.00 N ATOM 51 CA ILE A 4 11.210 3.725 -1.237 1.00 0.00 C ATOM 52 C ILE A 4 9.962 4.566 -0.952 1.00 0.00 C ATOM 53 O ILE A 4 10.054 5.663 -0.437 1.00 0.00 O ATOM 54 CB ILE A 4 11.620 2.907 0.000 1.00 0.00 C ATOM 55 CG1 ILE A 4 12.218 1.572 -0.453 1.00 0.00 C ATOM 56 CG2 ILE A 4 10.404 2.637 0.902 1.00 0.00 C ATOM 57 CD1 ILE A 4 11.132 0.722 -1.116 1.00 0.00 C ATOM 0 H ILE A 4 13.116 4.588 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 4 10.964 3.082 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 4 12.356 3.477 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.035 1.747 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.638 1.042 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.717 2.057 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.978 3.585 1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.654 2.077 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.559 -0.228 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.329 0.536 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.733 1.252 -1.981 1.00 0.00 H new ATOM 69 N PRO A 5 8.832 4.005 -1.284 1.00 0.00 N ATOM 70 CA PRO A 5 7.543 4.695 -1.045 1.00 0.00 C ATOM 71 C PRO A 5 7.212 4.680 0.451 1.00 0.00 C ATOM 72 O PRO A 5 7.852 4.006 1.233 1.00 0.00 O ATOM 73 CB PRO A 5 6.536 3.854 -1.823 1.00 0.00 C ATOM 74 CG PRO A 5 7.156 2.498 -1.906 1.00 0.00 C ATOM 75 CD PRO A 5 8.647 2.691 -1.913 1.00 0.00 C ATOM 0 HA PRO A 5 7.549 5.740 -1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.573 3.818 -1.314 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.357 4.269 -2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.852 1.883 -1.059 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.831 1.981 -2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.155 1.905 -1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.048 2.672 -2.926 1.00 0.00 H new ATOM 83 N ALA A 6 6.216 5.416 0.847 1.00 0.00 N ATOM 84 CA ALA A 6 5.831 5.452 2.284 1.00 0.00 C ATOM 85 C ALA A 6 4.848 4.319 2.598 1.00 0.00 C ATOM 86 O ALA A 6 4.970 3.636 3.595 1.00 0.00 O ATOM 87 CB ALA A 6 5.163 6.812 2.482 1.00 0.00 C ATOM 0 H ALA A 6 5.647 5.999 0.233 1.00 0.00 H new ATOM 0 HA ALA A 6 6.688 5.320 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.849 6.916 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.870 7.604 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.292 6.888 1.831 1.00 0.00 H new ATOM 93 N ILE A 7 3.870 4.121 1.756 1.00 0.00 N ATOM 94 CA ILE A 7 2.873 3.034 2.008 1.00 0.00 C ATOM 95 C ILE A 7 3.586 1.704 2.277 1.00 0.00 C ATOM 96 O ILE A 7 3.207 0.950 3.152 1.00 0.00 O ATOM 97 CB ILE A 7 2.014 2.949 0.732 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.354 1.568 0.631 1.00 0.00 C ATOM 99 CG2 ILE A 7 2.882 3.167 -0.511 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.665 1.218 1.950 1.00 0.00 C ATOM 0 H ILE A 7 3.716 4.662 0.905 1.00 0.00 H new ATOM 0 HA ILE A 7 2.260 3.244 2.885 1.00 0.00 H new ATOM 0 HB ILE A 7 1.249 3.724 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.627 1.562 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.104 0.814 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.261 3.104 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.348 4.151 -0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.656 2.401 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.200 0.236 1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.402 1.204 2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.098 1.964 2.171 1.00 0.00 H new ATOM 112 N TYR A 8 4.609 1.407 1.535 1.00 0.00 N ATOM 113 CA TYR A 8 5.330 0.122 1.751 1.00 0.00 C ATOM 114 C TYR A 8 5.898 0.068 3.169 1.00 0.00 C ATOM 115 O TYR A 8 5.958 -0.980 3.783 1.00 0.00 O ATOM 116 CB TYR A 8 6.442 0.113 0.706 1.00 0.00 C ATOM 117 CG TYR A 8 5.856 -0.306 -0.620 1.00 0.00 C ATOM 118 CD1 TYR A 8 5.036 0.577 -1.334 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.117 -1.582 -1.128 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.482 0.185 -2.556 1.00 0.00 C ATOM 121 CE2 TYR A 8 5.559 -1.976 -2.349 1.00 0.00 C ATOM 122 CZ TYR A 8 4.741 -1.093 -3.063 1.00 0.00 C ATOM 123 OH TYR A 8 4.190 -1.483 -4.267 1.00 0.00 O ATOM 0 H TYR A 8 4.980 1.995 0.788 1.00 0.00 H new ATOM 0 HA TYR A 8 4.679 -0.746 1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.892 1.102 0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.234 -0.574 1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.832 1.562 -0.940 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.749 -2.263 -0.578 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.854 0.868 -3.109 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.760 -2.962 -2.741 1.00 0.00 H new ATOM 0 HH TYR A 8 4.471 -2.399 -4.474 1.00 0.00 H new ATOM 133 N ILE A 9 6.302 1.185 3.703 1.00 0.00 N ATOM 134 CA ILE A 9 6.847 1.187 5.088 1.00 0.00 C ATOM 135 C ILE A 9 5.709 0.966 6.085 1.00 0.00 C ATOM 136 O ILE A 9 4.629 1.503 5.934 1.00 0.00 O ATOM 137 CB ILE A 9 7.473 2.570 5.273 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.475 2.831 4.146 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.196 2.628 6.620 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.837 4.318 4.116 1.00 0.00 C ATOM 0 H ILE A 9 6.279 2.095 3.242 1.00 0.00 H new ATOM 0 HA ILE A 9 7.578 0.396 5.252 1.00 0.00 H new ATOM 0 HB ILE A 9 6.691 3.328 5.248 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.372 2.231 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.048 2.531 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.642 3.614 6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.484 2.442 7.424 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.978 1.869 6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.551 4.503 3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.937 4.908 3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.282 4.604 5.069 1.00 0.00 H new ATOM 152 N GLY A 10 5.931 0.169 7.091 1.00 0.00 N ATOM 153 CA GLY A 10 4.848 -0.093 8.078 1.00 0.00 C ATOM 154 C GLY A 10 3.662 -0.715 7.343 1.00 0.00 C ATOM 155 O GLY A 10 2.518 -0.481 7.677 1.00 0.00 O ATOM 0 H GLY A 10 6.812 -0.311 7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.203 -0.764 8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.547 0.834 8.565 1.00 0.00 H new ATOM 159 N ALA A 11 3.932 -1.502 6.336 1.00 0.00 N ATOM 160 CA ALA A 11 2.821 -2.136 5.567 1.00 0.00 C ATOM 161 C ALA A 11 3.026 -3.652 5.477 1.00 0.00 C ATOM 162 O ALA A 11 3.781 -4.230 6.233 1.00 0.00 O ATOM 163 CB ALA A 11 2.894 -1.503 4.176 1.00 0.00 C ATOM 0 H ALA A 11 4.871 -1.733 6.013 1.00 0.00 H new ATOM 0 HA ALA A 11 1.852 -1.978 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.107 -1.917 3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.762 -0.424 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.865 -1.716 3.730 1.00 0.00 H new ATOM 169 N THR A 12 2.358 -4.300 4.560 1.00 0.00 N ATOM 170 CA THR A 12 2.520 -5.780 4.430 1.00 0.00 C ATOM 171 C THR A 12 2.278 -6.206 2.983 1.00 0.00 C ATOM 172 O THR A 12 1.156 -6.365 2.561 1.00 0.00 O ATOM 173 CB THR A 12 1.451 -6.379 5.350 1.00 0.00 C ATOM 174 OG1 THR A 12 1.904 -6.331 6.695 1.00 0.00 O ATOM 175 CG2 THR A 12 1.179 -7.834 4.952 1.00 0.00 C ATOM 0 H THR A 12 1.710 -3.873 3.898 1.00 0.00 H new ATOM 0 HA THR A 12 3.522 -6.113 4.700 1.00 0.00 H new ATOM 0 HB THR A 12 0.530 -5.803 5.254 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.584 -5.631 6.787 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.418 -8.255 5.609 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.828 -7.870 3.921 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.098 -8.414 5.042 1.00 0.00 H new ATOM 183 N VAL A 13 3.316 -6.396 2.220 1.00 0.00 N ATOM 184 CA VAL A 13 3.123 -6.812 0.800 1.00 0.00 C ATOM 185 C VAL A 13 3.175 -8.338 0.684 1.00 0.00 C ATOM 186 O VAL A 13 3.280 -9.042 1.669 1.00 0.00 O ATOM 187 CB VAL A 13 4.288 -6.173 0.037 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.473 -4.726 0.494 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.574 -6.957 0.314 1.00 0.00 C ATOM 0 H VAL A 13 4.286 -6.283 2.514 1.00 0.00 H new ATOM 0 HA VAL A 13 2.157 -6.498 0.405 1.00 0.00 H new ATOM 0 HB VAL A 13 4.069 -6.192 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.302 -4.276 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.561 -4.163 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.688 -4.707 1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.402 -6.502 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.788 -6.939 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.449 -7.989 -0.014 1.00 0.00 H new ATOM 199 N GLY A 14 3.107 -8.854 -0.512 1.00 0.00 N ATOM 200 CA GLY A 14 3.157 -10.333 -0.691 1.00 0.00 C ATOM 201 C GLY A 14 4.603 -10.766 -0.938 1.00 0.00 C ATOM 202 O GLY A 14 5.527 -10.015 -0.693 1.00 0.00 O ATOM 0 H GLY A 14 3.019 -8.315 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.763 -10.831 0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.528 -10.630 -1.530 1.00 0.00 H new ATOM 206 N PRO A 15 4.750 -11.970 -1.417 1.00 0.00 N ATOM 207 CA PRO A 15 6.099 -12.518 -1.704 1.00 0.00 C ATOM 208 C PRO A 15 6.692 -11.849 -2.948 1.00 0.00 C ATOM 209 O PRO A 15 7.858 -11.510 -2.987 1.00 0.00 O ATOM 210 CB PRO A 15 5.837 -14.000 -1.954 1.00 0.00 C ATOM 211 CG PRO A 15 4.410 -14.074 -2.394 1.00 0.00 C ATOM 212 CD PRO A 15 3.685 -12.927 -1.735 1.00 0.00 C ATOM 0 HA PRO A 15 6.813 -12.348 -0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.506 -14.395 -2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.002 -14.587 -1.051 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.337 -14.004 -3.479 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.967 -15.027 -2.106 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.941 -12.490 -2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.158 -13.251 -0.837 1.00 0.00 H new ATOM 220 N SER A 16 5.897 -11.654 -3.964 1.00 0.00 N ATOM 221 CA SER A 16 6.415 -11.006 -5.203 1.00 0.00 C ATOM 222 C SER A 16 6.763 -9.541 -4.925 1.00 0.00 C ATOM 223 O SER A 16 7.820 -9.064 -5.288 1.00 0.00 O ATOM 224 CB SER A 16 5.270 -11.101 -6.211 1.00 0.00 C ATOM 225 OG SER A 16 5.371 -12.329 -6.921 1.00 0.00 O ATOM 0 H SER A 16 4.911 -11.915 -3.990 1.00 0.00 H new ATOM 0 HA SER A 16 7.322 -11.486 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.311 -11.043 -5.696 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.310 -10.262 -6.905 1.00 0.00 H new ATOM 0 HG SER A 16 4.637 -12.394 -7.567 1.00 0.00 H new ATOM 231 N VAL A 17 5.882 -8.825 -4.281 1.00 0.00 N ATOM 232 CA VAL A 17 6.166 -7.392 -3.980 1.00 0.00 C ATOM 233 C VAL A 17 7.387 -7.280 -3.065 1.00 0.00 C ATOM 234 O VAL A 17 8.200 -6.387 -3.208 1.00 0.00 O ATOM 235 CB VAL A 17 4.912 -6.878 -3.272 1.00 0.00 C ATOM 236 CG1 VAL A 17 5.068 -5.384 -2.982 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.694 -7.094 -4.173 1.00 0.00 C ATOM 0 H VAL A 17 4.980 -9.169 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 17 6.388 -6.816 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 17 4.775 -7.420 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.175 -5.016 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.937 -5.226 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.204 -4.844 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.799 -6.728 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.832 -6.551 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.582 -8.157 -4.384 1.00 0.00 H new ATOM 247 N TRP A 18 7.529 -8.178 -2.130 1.00 0.00 N ATOM 248 CA TRP A 18 8.705 -8.118 -1.218 1.00 0.00 C ATOM 249 C TRP A 18 9.998 -8.160 -2.034 1.00 0.00 C ATOM 250 O TRP A 18 10.813 -7.261 -1.973 1.00 0.00 O ATOM 251 CB TRP A 18 8.592 -9.359 -0.333 1.00 0.00 C ATOM 252 CG TRP A 18 9.555 -9.244 0.804 1.00 0.00 C ATOM 253 CD1 TRP A 18 9.772 -8.121 1.524 1.00 0.00 C ATOM 254 CD2 TRP A 18 10.434 -10.264 1.362 1.00 0.00 C ATOM 255 NE1 TRP A 18 10.727 -8.385 2.490 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.166 -9.692 2.430 1.00 0.00 C ATOM 257 CE3 TRP A 18 10.666 -11.616 1.049 1.00 0.00 C ATOM 258 CZ2 TRP A 18 12.094 -10.435 3.160 1.00 0.00 C ATOM 259 CZ3 TRP A 18 11.600 -12.366 1.782 1.00 0.00 C ATOM 260 CH2 TRP A 18 12.312 -11.776 2.836 1.00 0.00 C ATOM 0 H TRP A 18 6.883 -8.949 -1.958 1.00 0.00 H new ATOM 0 HA TRP A 18 8.724 -7.202 -0.628 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.575 -9.458 0.046 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.804 -10.256 -0.915 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.280 -7.172 1.370 1.00 0.00 H new ATOM 0 HE1 TRP A 18 11.065 -7.698 3.164 1.00 0.00 H new ATOM 0 HE3 TRP A 18 10.122 -12.080 0.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.640 -9.976 3.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 11.771 -13.403 1.533 1.00 0.00 H new ATOM 0 HH2 TRP A 18 13.028 -12.358 3.397 1.00 0.00 H new ATOM 271 N ALA A 19 10.188 -9.199 -2.799 1.00 0.00 N ATOM 272 CA ALA A 19 11.425 -9.303 -3.624 1.00 0.00 C ATOM 273 C ALA A 19 11.634 -8.014 -4.421 1.00 0.00 C ATOM 274 O ALA A 19 12.740 -7.535 -4.569 1.00 0.00 O ATOM 275 CB ALA A 19 11.178 -10.484 -4.562 1.00 0.00 C ATOM 0 H ALA A 19 9.540 -9.981 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 19 12.318 -9.449 -3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.047 -10.626 -5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.010 -11.386 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.301 -10.283 -5.177 1.00 0.00 H new ATOM 281 N TYR A 20 10.576 -7.448 -4.930 1.00 0.00 N ATOM 282 CA TYR A 20 10.710 -6.187 -5.714 1.00 0.00 C ATOM 283 C TYR A 20 11.372 -5.111 -4.857 1.00 0.00 C ATOM 284 O TYR A 20 12.471 -4.670 -5.128 1.00 0.00 O ATOM 285 CB TYR A 20 9.279 -5.779 -6.055 1.00 0.00 C ATOM 286 CG TYR A 20 9.283 -4.398 -6.666 1.00 0.00 C ATOM 287 CD1 TYR A 20 10.378 -3.973 -7.428 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.194 -3.543 -6.467 1.00 0.00 C ATOM 289 CE1 TYR A 20 10.383 -2.692 -7.991 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.199 -2.261 -7.031 1.00 0.00 C ATOM 291 CZ TYR A 20 9.294 -1.836 -7.793 1.00 0.00 C ATOM 292 OH TYR A 20 9.299 -0.572 -8.348 1.00 0.00 O ATOM 0 H TYR A 20 9.624 -7.803 -4.838 1.00 0.00 H new ATOM 0 HA TYR A 20 11.323 -6.317 -6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.841 -6.495 -6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.662 -5.789 -5.156 1.00 0.00 H new ATOM 0 HD1 TYR A 20 11.219 -4.634 -7.581 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.350 -3.871 -5.879 1.00 0.00 H new ATOM 0 HE1 TYR A 20 11.228 -2.364 -8.579 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.358 -1.600 -6.878 1.00 0.00 H new ATOM 0 HH TYR A 20 8.467 -0.109 -8.115 1.00 0.00 H new ATOM 302 N LEU A 21 10.705 -4.688 -3.820 1.00 0.00 N ATOM 303 CA LEU A 21 11.281 -3.643 -2.932 1.00 0.00 C ATOM 304 C LEU A 21 12.767 -3.922 -2.691 1.00 0.00 C ATOM 305 O LEU A 21 13.592 -3.034 -2.749 1.00 0.00 O ATOM 306 CB LEU A 21 10.487 -3.769 -1.633 1.00 0.00 C ATOM 307 CG LEU A 21 10.512 -2.441 -0.872 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.450 -2.469 0.227 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.888 -2.231 -0.236 1.00 0.00 C ATOM 0 H LEU A 21 9.781 -5.024 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 21 11.215 -2.642 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.458 -4.052 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.910 -4.560 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 21 10.307 -1.626 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.465 -1.525 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.467 -2.614 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.660 -3.288 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.899 -1.284 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.097 -3.046 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.650 -2.213 -1.015 1.00 0.00 H new ATOM 321 N VAL A 22 13.114 -5.152 -2.426 1.00 0.00 N ATOM 322 CA VAL A 22 14.547 -5.486 -2.186 1.00 0.00 C ATOM 323 C VAL A 22 15.396 -5.026 -3.371 1.00 0.00 C ATOM 324 O VAL A 22 16.417 -4.388 -3.209 1.00 0.00 O ATOM 325 CB VAL A 22 14.585 -7.008 -2.057 1.00 0.00 C ATOM 326 CG1 VAL A 22 16.038 -7.477 -1.962 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.830 -7.431 -0.795 1.00 0.00 C ATOM 0 H VAL A 22 12.468 -5.939 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 22 14.944 -4.995 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 22 14.115 -7.458 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.065 -8.563 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.577 -7.176 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.509 -7.027 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.856 -8.517 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.301 -6.980 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.794 -7.098 -0.862 1.00 0.00 H new ATOM 337 N ALA A 23 14.978 -5.346 -4.562 1.00 0.00 N ATOM 338 CA ALA A 23 15.754 -4.929 -5.763 1.00 0.00 C ATOM 339 C ALA A 23 15.955 -3.411 -5.757 1.00 0.00 C ATOM 340 O ALA A 23 17.037 -2.917 -6.002 1.00 0.00 O ATOM 341 CB ALA A 23 14.897 -5.353 -6.956 1.00 0.00 C ATOM 0 H ALA A 23 14.131 -5.879 -4.757 1.00 0.00 H new ATOM 0 HA ALA A 23 16.745 -5.382 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.402 -5.079 -7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.746 -6.432 -6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.931 -4.850 -6.907 1.00 0.00 H new ATOM 347 N LEU A 24 14.919 -2.668 -5.474 1.00 0.00 N ATOM 348 CA LEU A 24 15.050 -1.185 -5.447 1.00 0.00 C ATOM 349 C LEU A 24 16.095 -0.769 -4.409 1.00 0.00 C ATOM 350 O LEU A 24 16.890 0.121 -4.634 1.00 0.00 O ATOM 351 CB LEU A 24 13.665 -0.677 -5.047 1.00 0.00 C ATOM 352 CG LEU A 24 13.447 0.724 -5.619 1.00 0.00 C ATOM 353 CD1 LEU A 24 12.990 0.617 -7.075 1.00 0.00 C ATOM 354 CD2 LEU A 24 12.375 1.447 -4.800 1.00 0.00 C ATOM 0 H LEU A 24 13.988 -3.025 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 24 15.374 -0.778 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.897 -1.356 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.574 -0.655 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 24 14.381 1.284 -5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.835 1.616 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.753 0.102 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.056 0.057 -7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.219 2.446 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.442 0.886 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.700 1.524 -3.763 1.00 0.00 H new ATOM 366 N VAL A 25 16.094 -1.408 -3.272 1.00 0.00 N ATOM 367 CA VAL A 25 17.085 -1.053 -2.212 1.00 0.00 C ATOM 368 C VAL A 25 17.860 -2.305 -1.769 1.00 0.00 C ATOM 369 O VAL A 25 18.911 -2.611 -2.296 1.00 0.00 O ATOM 370 CB VAL A 25 16.256 -0.463 -1.055 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.912 -1.189 -0.931 1.00 0.00 C ATOM 372 CG2 VAL A 25 17.027 -0.601 0.259 1.00 0.00 C ATOM 0 H VAL A 25 15.450 -2.161 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 25 17.830 -0.339 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 25 16.072 0.591 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.340 -0.759 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.352 -1.078 -1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.087 -2.247 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.436 -0.182 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 25 17.222 -1.655 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.973 -0.064 0.184 1.00 0.00 H new ATOM 382 N GLY A 26 17.355 -3.028 -0.804 1.00 0.00 N ATOM 383 CA GLY A 26 18.068 -4.248 -0.333 1.00 0.00 C ATOM 384 C GLY A 26 17.307 -4.853 0.846 1.00 0.00 C ATOM 385 O GLY A 26 16.465 -4.215 1.446 1.00 0.00 O ATOM 0 H GLY A 26 16.479 -2.825 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.145 -4.974 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 26 19.085 -3.996 -0.034 1.00 0.00 H new ATOM 389 N ALA A 27 17.591 -6.081 1.182 1.00 0.00 N ATOM 390 CA ALA A 27 16.876 -6.726 2.321 1.00 0.00 C ATOM 391 C ALA A 27 17.098 -5.936 3.613 1.00 0.00 C ATOM 392 O ALA A 27 16.341 -6.051 4.556 1.00 0.00 O ATOM 393 CB ALA A 27 17.489 -8.122 2.434 1.00 0.00 C ATOM 0 H ALA A 27 18.286 -6.666 0.718 1.00 0.00 H new ATOM 0 HA ALA A 27 15.799 -6.763 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.014 -8.663 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.332 -8.665 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.558 -8.035 2.628 1.00 0.00 H new ATOM 399 N ALA A 28 18.128 -5.136 3.669 1.00 0.00 N ATOM 400 CA ALA A 28 18.385 -4.350 4.904 1.00 0.00 C ATOM 401 C ALA A 28 17.348 -3.238 5.037 1.00 0.00 C ATOM 402 O ALA A 28 16.563 -3.217 5.964 1.00 0.00 O ATOM 403 CB ALA A 28 19.786 -3.769 4.727 1.00 0.00 C ATOM 0 H ALA A 28 18.799 -4.995 2.914 1.00 0.00 H new ATOM 0 HA ALA A 28 18.317 -4.959 5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 28 20.046 -3.174 5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.505 -4.581 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.808 -3.137 3.839 1.00 0.00 H new ATOM 409 N ALA A 29 17.329 -2.319 4.114 1.00 0.00 N ATOM 410 CA ALA A 29 16.326 -1.221 4.194 1.00 0.00 C ATOM 411 C ALA A 29 14.921 -1.815 4.090 1.00 0.00 C ATOM 412 O ALA A 29 13.950 -1.223 4.519 1.00 0.00 O ATOM 413 CB ALA A 29 16.621 -0.315 2.999 1.00 0.00 C ATOM 0 H ALA A 29 17.959 -2.280 3.313 1.00 0.00 H new ATOM 0 HA ALA A 29 16.380 -0.668 5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.919 0.519 2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.639 0.068 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.516 -0.885 2.076 1.00 0.00 H new ATOM 419 N VAL A 30 14.811 -2.989 3.530 1.00 0.00 N ATOM 420 CA VAL A 30 13.475 -3.630 3.406 1.00 0.00 C ATOM 421 C VAL A 30 12.993 -4.085 4.785 1.00 0.00 C ATOM 422 O VAL A 30 11.816 -4.064 5.082 1.00 0.00 O ATOM 423 CB VAL A 30 13.690 -4.835 2.489 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.490 -5.779 2.597 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.833 -4.360 1.042 1.00 0.00 C ATOM 0 H VAL A 30 15.589 -3.530 3.154 1.00 0.00 H new ATOM 0 HA VAL A 30 12.723 -2.950 3.006 1.00 0.00 H new ATOM 0 HB VAL A 30 14.596 -5.360 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.643 -6.638 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.387 -6.120 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.584 -5.252 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.986 -5.220 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.928 -3.833 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.687 -3.688 0.962 1.00 0.00 H new ATOM 435 N THR A 31 13.901 -4.494 5.634 1.00 0.00 N ATOM 436 CA THR A 31 13.496 -4.946 6.995 1.00 0.00 C ATOM 437 C THR A 31 13.411 -3.745 7.940 1.00 0.00 C ATOM 438 O THR A 31 12.674 -3.753 8.906 1.00 0.00 O ATOM 439 CB THR A 31 14.604 -5.904 7.439 1.00 0.00 C ATOM 440 OG1 THR A 31 14.636 -7.022 6.564 1.00 0.00 O ATOM 441 CG2 THR A 31 14.331 -6.379 8.868 1.00 0.00 C ATOM 0 H THR A 31 14.902 -4.534 5.443 1.00 0.00 H new ATOM 0 HA THR A 31 12.518 -5.427 7.001 1.00 0.00 H new ATOM 0 HB THR A 31 15.564 -5.389 7.409 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.209 -6.819 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.121 -7.061 9.182 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.306 -5.520 9.538 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.371 -6.895 8.903 1.00 0.00 H new ATOM 449 N ALA A 32 14.157 -2.709 7.665 1.00 0.00 N ATOM 450 CA ALA A 32 14.116 -1.505 8.543 1.00 0.00 C ATOM 451 C ALA A 32 12.886 -0.659 8.205 1.00 0.00 C ATOM 452 O ALA A 32 12.453 0.166 8.984 1.00 0.00 O ATOM 453 CB ALA A 32 15.399 -0.738 8.225 1.00 0.00 C ATOM 0 H ALA A 32 14.793 -2.645 6.870 1.00 0.00 H new ATOM 0 HA ALA A 32 14.050 -1.761 9.600 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.443 0.165 8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.262 -1.366 8.445 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.408 -0.465 7.170 1.00 0.00 H new ATOM 459 N ALA A 33 12.321 -0.861 7.046 1.00 0.00 N ATOM 460 CA ALA A 33 11.119 -0.072 6.655 1.00 0.00 C ATOM 461 C ALA A 33 9.849 -0.779 7.135 1.00 0.00 C ATOM 462 O ALA A 33 8.778 -0.580 6.603 1.00 0.00 O ATOM 463 CB ALA A 33 11.160 -0.020 5.127 1.00 0.00 C ATOM 0 H ALA A 33 12.640 -1.538 6.353 1.00 0.00 H new ATOM 0 HA ALA A 33 11.115 0.925 7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.304 0.546 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.082 0.464 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.123 -1.033 4.727 1.00 0.00 H new ATOM 469 N ASN A 34 9.964 -1.605 8.138 1.00 0.00 N ATOM 470 CA ASN A 34 8.767 -2.328 8.656 1.00 0.00 C ATOM 471 C ASN A 34 7.916 -2.857 7.495 1.00 0.00 C ATOM 472 O ASN A 34 6.836 -2.362 7.220 1.00 0.00 O ATOM 473 CB ASN A 34 7.992 -1.287 9.465 1.00 0.00 C ATOM 474 CG ASN A 34 6.774 -1.946 10.112 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.518 -3.115 9.903 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.006 -1.240 10.897 1.00 0.00 N ATOM 0 H ASN A 34 10.837 -1.811 8.623 1.00 0.00 H new ATOM 0 HA ASN A 34 9.040 -3.192 9.262 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.635 -0.855 10.232 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.675 -0.470 8.817 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.191 -1.670 11.335 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.221 -0.258 11.073 1.00 0.00 H new ATOM 483 N ILE A 35 8.394 -3.864 6.817 1.00 0.00 N ATOM 484 CA ILE A 35 7.619 -4.437 5.679 1.00 0.00 C ATOM 485 C ILE A 35 7.345 -5.921 5.934 1.00 0.00 C ATOM 486 O ILE A 35 8.248 -6.734 5.947 1.00 0.00 O ATOM 487 CB ILE A 35 8.517 -4.256 4.456 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.653 -2.764 4.142 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.896 -4.973 3.256 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.893 -2.536 3.274 1.00 0.00 C ATOM 0 H ILE A 35 9.290 -4.316 7.002 1.00 0.00 H new ATOM 0 HA ILE A 35 6.653 -3.951 5.544 1.00 0.00 H new ATOM 0 HB ILE A 35 9.501 -4.677 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.763 -2.408 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.733 -2.193 5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.537 -4.844 2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.796 -6.035 3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.912 -4.551 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.990 -1.474 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.779 -2.877 3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.794 -3.095 2.344 1.00 0.00 H new ATOM 502 N ARG A 36 6.109 -6.278 6.145 1.00 0.00 N ATOM 503 CA ARG A 36 5.783 -7.709 6.408 1.00 0.00 C ATOM 504 C ARG A 36 5.351 -8.411 5.118 1.00 0.00 C ATOM 505 O ARG A 36 4.771 -7.809 4.234 1.00 0.00 O ATOM 506 CB ARG A 36 4.627 -7.671 7.408 1.00 0.00 C ATOM 507 CG ARG A 36 5.140 -7.183 8.764 1.00 0.00 C ATOM 508 CD ARG A 36 5.156 -8.350 9.753 1.00 0.00 C ATOM 509 NE ARG A 36 4.547 -7.805 10.998 1.00 0.00 N ATOM 510 CZ ARG A 36 5.208 -7.855 12.122 1.00 0.00 C ATOM 511 NH1 ARG A 36 5.219 -8.955 12.824 1.00 0.00 N ATOM 512 NH2 ARG A 36 5.856 -6.804 12.545 1.00 0.00 N ATOM 0 H ARG A 36 5.311 -5.643 6.147 1.00 0.00 H new ATOM 0 HA ARG A 36 6.642 -8.260 6.791 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.840 -7.009 7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.187 -8.663 7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.143 -6.769 8.658 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.502 -6.383 9.140 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.586 -9.198 9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.172 -8.703 9.932 1.00 0.00 H new ATOM 0 HE ARG A 36 3.614 -7.393 10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.711 -9.776 12.494 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.736 -8.994 13.703 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.846 -5.944 11.997 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.373 -6.843 13.424 1.00 0.00 H new ATOM 526 N ARG A 37 5.626 -9.682 5.008 1.00 0.00 N ATOM 527 CA ARG A 37 5.231 -10.432 3.782 1.00 0.00 C ATOM 528 C ARG A 37 3.825 -11.014 3.957 1.00 0.00 C ATOM 529 O ARG A 37 3.345 -11.179 5.061 1.00 0.00 O ATOM 530 CB ARG A 37 6.261 -11.555 3.655 1.00 0.00 C ATOM 531 CG ARG A 37 7.282 -11.193 2.575 1.00 0.00 C ATOM 532 CD ARG A 37 7.517 -12.404 1.669 1.00 0.00 C ATOM 533 NE ARG A 37 7.680 -13.556 2.598 1.00 0.00 N ATOM 534 CZ ARG A 37 8.862 -13.860 3.063 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.675 -14.593 2.350 1.00 0.00 N ATOM 536 NH2 ARG A 37 9.232 -13.430 4.238 1.00 0.00 N ATOM 0 H ARG A 37 6.109 -10.235 5.716 1.00 0.00 H new ATOM 0 HA ARG A 37 5.210 -9.798 2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.765 -11.710 4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.764 -12.491 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.921 -10.350 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.220 -10.882 3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.677 -12.559 0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.404 -12.268 1.050 1.00 0.00 H new ATOM 0 HE ARG A 37 6.867 -14.109 2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.387 -14.928 1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.598 -14.831 2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.598 -12.856 4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.155 -13.668 4.601 1.00 0.00 H new ATOM 550 N ALA A 38 3.165 -11.328 2.879 1.00 0.00 N ATOM 551 CA ALA A 38 1.792 -11.900 2.986 1.00 0.00 C ATOM 552 C ALA A 38 1.670 -13.140 2.095 1.00 0.00 C ATOM 553 O ALA A 38 2.377 -13.284 1.118 1.00 0.00 O ATOM 554 CB ALA A 38 0.862 -10.790 2.498 1.00 0.00 C ATOM 0 H ALA A 38 3.515 -11.214 1.928 1.00 0.00 H new ATOM 0 HA ALA A 38 1.549 -12.214 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.171 -11.134 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.982 -9.911 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.111 -10.533 1.469 1.00 0.00 H new ATOM 560 N SER A 39 0.778 -14.036 2.424 1.00 0.00 N ATOM 561 CA SER A 39 0.616 -15.264 1.592 1.00 0.00 C ATOM 562 C SER A 39 0.659 -14.901 0.105 1.00 0.00 C ATOM 563 O SER A 39 1.027 -15.704 -0.730 1.00 0.00 O ATOM 564 CB SER A 39 -0.755 -15.822 1.970 1.00 0.00 C ATOM 565 OG SER A 39 -0.611 -16.725 3.059 1.00 0.00 O ATOM 0 H SER A 39 0.156 -13.971 3.230 1.00 0.00 H new ATOM 0 HA SER A 39 1.411 -15.990 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.428 -15.010 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.201 -16.332 1.116 1.00 0.00 H new ATOM 0 HG SER A 39 -1.489 -17.083 3.305 1.00 0.00 H new ATOM 571 N SER A 40 0.290 -13.697 -0.230 1.00 0.00 N ATOM 572 CA SER A 40 0.312 -13.276 -1.660 1.00 0.00 C ATOM 573 C SER A 40 -0.030 -11.789 -1.775 1.00 0.00 C ATOM 574 O SER A 40 -0.120 -11.085 -0.789 1.00 0.00 O ATOM 575 CB SER A 40 -0.759 -14.128 -2.342 1.00 0.00 C ATOM 576 OG SER A 40 -0.193 -15.373 -2.728 1.00 0.00 O ATOM 0 H SER A 40 -0.027 -12.983 0.426 1.00 0.00 H new ATOM 0 HA SER A 40 1.292 -13.414 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.597 -14.291 -1.664 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.152 -13.608 -3.215 1.00 0.00 H new ATOM 0 HG SER A 40 0.601 -15.554 -2.183 1.00 0.00 H new ATOM 582 N ASP A 41 -0.224 -11.306 -2.972 1.00 0.00 N ATOM 583 CA ASP A 41 -0.562 -9.864 -3.145 1.00 0.00 C ATOM 584 C ASP A 41 -1.829 -9.524 -2.357 1.00 0.00 C ATOM 585 O ASP A 41 -2.121 -8.374 -2.095 1.00 0.00 O ATOM 586 CB ASP A 41 -0.801 -9.693 -4.646 1.00 0.00 C ATOM 587 CG ASP A 41 0.544 -9.595 -5.368 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.560 -9.632 -4.694 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.536 -9.486 -6.583 1.00 0.00 O ATOM 0 H ASP A 41 -0.163 -11.846 -3.835 1.00 0.00 H new ATOM 0 HA ASP A 41 0.226 -9.205 -2.780 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.373 -10.537 -5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.392 -8.796 -4.831 1.00 0.00 H new ATOM 594 N ASN A 42 -2.584 -10.518 -1.978 1.00 0.00 N ATOM 595 CA ASN A 42 -3.834 -10.256 -1.208 1.00 0.00 C ATOM 596 C ASN A 42 -3.548 -10.285 0.297 1.00 0.00 C ATOM 597 O ASN A 42 -3.310 -11.329 0.872 1.00 0.00 O ATOM 598 CB ASN A 42 -4.775 -11.397 -1.596 1.00 0.00 C ATOM 599 CG ASN A 42 -5.973 -11.421 -0.644 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.639 -12.430 -0.514 1.00 0.00 O ATOM 601 ND2 ASN A 42 -6.280 -10.349 0.032 1.00 0.00 N ATOM 0 H ASN A 42 -2.390 -11.501 -2.168 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.260 -9.277 -1.429 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.116 -11.267 -2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.245 -12.349 -1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.077 -10.358 0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.723 -9.501 -0.075 1.00 0.00 H new ATOM 608 N HIS A 43 -3.578 -9.149 0.941 1.00 0.00 N ATOM 609 CA HIS A 43 -3.318 -9.119 2.408 1.00 0.00 C ATOM 610 C HIS A 43 -4.051 -7.942 3.050 1.00 0.00 C ATOM 611 O HIS A 43 -4.725 -7.179 2.386 1.00 0.00 O ATOM 612 CB HIS A 43 -1.803 -8.952 2.561 1.00 0.00 C ATOM 613 CG HIS A 43 -1.278 -7.960 1.555 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.129 -6.612 1.848 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.823 -8.114 0.270 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.598 -6.014 0.762 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.396 -6.887 -0.229 1.00 0.00 N ATOM 0 H HIS A 43 -3.771 -8.243 0.515 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.671 -10.026 2.898 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.568 -8.614 3.570 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.309 -9.914 2.424 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.800 -9.047 -0.273 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.365 -4.961 0.701 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.011 -6.695 -1.154 1.00 0.00 H new ATOM 625 N SER A 44 -3.923 -7.788 4.337 1.00 0.00 N ATOM 626 CA SER A 44 -4.608 -6.657 5.020 1.00 0.00 C ATOM 627 C SER A 44 -3.791 -5.378 4.852 1.00 0.00 C ATOM 628 O SER A 44 -2.578 -5.410 4.782 1.00 0.00 O ATOM 629 CB SER A 44 -4.676 -7.057 6.492 1.00 0.00 C ATOM 630 OG SER A 44 -5.973 -6.768 6.998 1.00 0.00 O ATOM 0 H SER A 44 -3.374 -8.396 4.945 1.00 0.00 H new ATOM 0 HA SER A 44 -5.599 -6.465 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.458 -8.119 6.602 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.921 -6.516 7.063 1.00 0.00 H new ATOM 0 HG SER A 44 -6.597 -7.470 6.718 1.00 0.00 H new ATOM 636 N CYS A 45 -4.440 -4.254 4.788 1.00 0.00 N ATOM 637 CA CYS A 45 -3.692 -2.977 4.627 1.00 0.00 C ATOM 638 C CYS A 45 -4.338 -1.876 5.467 1.00 0.00 C ATOM 639 O CYS A 45 -5.307 -2.097 6.177 1.00 0.00 O ATOM 640 CB CYS A 45 -3.778 -2.641 3.139 1.00 0.00 C ATOM 641 SG CYS A 45 -5.500 -2.740 2.593 1.00 0.00 S ATOM 0 H CYS A 45 -5.454 -4.162 4.840 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.658 -3.064 4.960 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.386 -1.640 2.959 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.163 -3.333 2.563 1.00 0.00 H new ATOM 646 N ALA A 46 -3.804 -0.691 5.399 1.00 0.00 N ATOM 647 CA ALA A 46 -4.375 0.422 6.204 1.00 0.00 C ATOM 648 C ALA A 46 -4.590 -0.061 7.637 1.00 0.00 C ATOM 649 O ALA A 46 -5.608 0.200 8.248 1.00 0.00 O ATOM 650 CB ALA A 46 -5.710 0.750 5.536 1.00 0.00 C ATOM 0 H ALA A 46 -2.999 -0.445 4.823 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.726 1.297 6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.195 1.565 6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.536 1.050 4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.352 -0.130 5.555 1.00 0.00 H new ATOM 656 N GLY A 47 -3.640 -0.782 8.172 1.00 0.00 N ATOM 657 CA GLY A 47 -3.791 -1.303 9.557 1.00 0.00 C ATOM 658 C GLY A 47 -4.957 -2.291 9.577 1.00 0.00 C ATOM 659 O GLY A 47 -5.301 -2.873 8.568 1.00 0.00 O ATOM 0 H GLY A 47 -2.767 -1.031 7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.873 -1.794 9.880 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.976 -0.484 10.252 1.00 0.00 H new ATOM 663 N ASN A 48 -5.576 -2.480 10.707 1.00 0.00 N ATOM 664 CA ASN A 48 -6.724 -3.420 10.769 1.00 0.00 C ATOM 665 C ASN A 48 -8.004 -2.700 10.333 1.00 0.00 C ATOM 666 O ASN A 48 -9.046 -2.841 10.943 1.00 0.00 O ATOM 667 CB ASN A 48 -6.818 -3.841 12.237 1.00 0.00 C ATOM 668 CG ASN A 48 -7.722 -5.068 12.359 1.00 0.00 C ATOM 669 OD1 ASN A 48 -8.603 -5.271 11.548 1.00 0.00 O ATOM 670 ND2 ASN A 48 -7.541 -5.903 13.347 1.00 0.00 N ATOM 0 H ASN A 48 -5.336 -2.025 11.588 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.595 -4.280 10.111 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.825 -4.068 12.626 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.216 -3.022 12.836 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.139 -6.724 13.437 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.801 -5.734 14.029 1.00 0.00 H new ATOM 677 N ARG A 49 -7.931 -1.916 9.289 1.00 0.00 N ATOM 678 CA ARG A 49 -9.134 -1.174 8.829 1.00 0.00 C ATOM 679 C ARG A 49 -9.517 -1.569 7.400 1.00 0.00 C ATOM 680 O ARG A 49 -10.681 -1.616 7.056 1.00 0.00 O ATOM 681 CB ARG A 49 -8.718 0.294 8.879 1.00 0.00 C ATOM 682 CG ARG A 49 -8.813 0.803 10.318 1.00 0.00 C ATOM 683 CD ARG A 49 -9.731 2.026 10.368 1.00 0.00 C ATOM 684 NE ARG A 49 -10.847 1.631 11.272 1.00 0.00 N ATOM 685 CZ ARG A 49 -11.130 2.361 12.316 1.00 0.00 C ATOM 686 NH1 ARG A 49 -10.167 2.871 13.036 1.00 0.00 N ATOM 687 NH2 ARG A 49 -12.374 2.580 12.642 1.00 0.00 N ATOM 0 H ARG A 49 -7.088 -1.760 8.737 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.005 -1.388 9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.699 0.407 8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.361 0.887 8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.200 0.018 10.968 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.822 1.064 10.689 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.204 2.900 10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.099 2.284 9.375 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.390 0.790 11.075 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.194 2.699 12.782 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.388 3.442 13.852 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.126 2.181 12.081 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.594 3.151 13.458 1.00 0.00 H new ATOM 701 N GLY A 50 -8.557 -1.841 6.558 1.00 0.00 N ATOM 702 CA GLY A 50 -8.903 -2.212 5.155 1.00 0.00 C ATOM 703 C GLY A 50 -8.232 -3.532 4.774 1.00 0.00 C ATOM 704 O GLY A 50 -7.408 -4.057 5.496 1.00 0.00 O ATOM 0 H GLY A 50 -7.561 -1.823 6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.984 -2.303 5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.583 -1.424 4.474 1.00 0.00 H new ATOM 708 N TRP A 51 -8.586 -4.070 3.637 1.00 0.00 N ATOM 709 CA TRP A 51 -7.983 -5.357 3.187 1.00 0.00 C ATOM 710 C TRP A 51 -7.682 -5.281 1.687 1.00 0.00 C ATOM 711 O TRP A 51 -7.949 -4.285 1.049 1.00 0.00 O ATOM 712 CB TRP A 51 -9.060 -6.407 3.463 1.00 0.00 C ATOM 713 CG TRP A 51 -8.791 -7.077 4.772 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.513 -6.890 5.901 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.748 -8.037 5.107 1.00 0.00 C ATOM 716 NE1 TRP A 51 -8.979 -7.673 6.909 1.00 0.00 N ATOM 717 CE2 TRP A 51 -7.889 -8.399 6.469 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.704 -8.623 4.371 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.025 -9.309 7.077 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.831 -9.539 4.980 1.00 0.00 C ATOM 721 CH2 TRP A 51 -5.993 -9.882 6.330 1.00 0.00 C ATOM 0 H TRP A 51 -9.272 -3.670 2.997 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.048 -5.589 3.696 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.043 -5.937 3.480 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.074 -7.146 2.662 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.367 -6.236 5.999 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.345 -7.710 7.860 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.572 -8.367 3.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.153 -9.569 8.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.031 -9.982 4.406 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.320 -10.589 6.792 1.00 0.00 H new ATOM 732 N CYS A 52 -7.131 -6.316 1.112 1.00 0.00 N ATOM 733 CA CYS A 52 -6.831 -6.269 -0.348 1.00 0.00 C ATOM 734 C CYS A 52 -7.716 -7.254 -1.116 1.00 0.00 C ATOM 735 O CYS A 52 -7.662 -8.450 -0.904 1.00 0.00 O ATOM 736 CB CYS A 52 -5.364 -6.675 -0.468 1.00 0.00 C ATOM 737 SG CYS A 52 -4.712 -6.126 -2.064 1.00 0.00 S ATOM 0 H CYS A 52 -6.878 -7.184 1.584 1.00 0.00 H new ATOM 0 HA CYS A 52 -7.022 -5.281 -0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.786 -6.233 0.344 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.267 -7.757 -0.377 1.00 0.00 H new ATOM 742 N ARG A 53 -8.526 -6.759 -2.012 1.00 0.00 N ATOM 743 CA ARG A 53 -9.412 -7.660 -2.806 1.00 0.00 C ATOM 744 C ARG A 53 -9.283 -7.328 -4.295 1.00 0.00 C ATOM 745 O ARG A 53 -8.888 -6.240 -4.662 1.00 0.00 O ATOM 746 CB ARG A 53 -10.831 -7.360 -2.319 1.00 0.00 C ATOM 747 CG ARG A 53 -10.863 -7.314 -0.790 1.00 0.00 C ATOM 748 CD ARG A 53 -11.218 -5.898 -0.338 1.00 0.00 C ATOM 749 NE ARG A 53 -10.881 -5.860 1.111 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.828 -5.951 2.004 1.00 0.00 C ATOM 751 NH1 ARG A 53 -12.385 -7.106 2.247 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.217 -4.889 2.653 1.00 0.00 N ATOM 0 H ARG A 53 -8.613 -5.766 -2.230 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.154 -8.711 -2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.170 -6.408 -2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.518 -8.125 -2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.595 -8.025 -0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.894 -7.606 -0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.651 -5.152 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.274 -5.684 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.909 -5.763 1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.080 -7.936 1.739 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.125 -7.178 2.945 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.781 -3.987 2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.957 -4.961 3.351 1.00 0.00 H new ATOM 766 N SER A 54 -9.621 -8.247 -5.157 1.00 0.00 N ATOM 767 CA SER A 54 -9.522 -7.959 -6.615 1.00 0.00 C ATOM 768 C SER A 54 -10.288 -6.675 -6.925 1.00 0.00 C ATOM 769 O SER A 54 -9.797 -5.785 -7.592 1.00 0.00 O ATOM 770 CB SER A 54 -10.174 -9.156 -7.306 1.00 0.00 C ATOM 771 OG SER A 54 -11.517 -8.832 -7.641 1.00 0.00 O ATOM 0 H SER A 54 -9.959 -9.179 -4.917 1.00 0.00 H new ATOM 0 HA SER A 54 -8.494 -7.819 -6.949 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.616 -9.419 -8.205 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.151 -10.026 -6.650 1.00 0.00 H new ATOM 0 HG SER A 54 -11.937 -9.598 -8.086 1.00 0.00 H new ATOM 777 N LYS A 55 -11.486 -6.576 -6.430 1.00 0.00 N ATOM 778 CA LYS A 55 -12.305 -5.362 -6.665 1.00 0.00 C ATOM 779 C LYS A 55 -12.972 -4.950 -5.345 1.00 0.00 C ATOM 780 O LYS A 55 -13.407 -5.783 -4.575 1.00 0.00 O ATOM 781 CB LYS A 55 -13.330 -5.804 -7.722 1.00 0.00 C ATOM 782 CG LYS A 55 -14.732 -5.298 -7.369 1.00 0.00 C ATOM 783 CD LYS A 55 -15.752 -5.894 -8.341 1.00 0.00 C ATOM 784 CE LYS A 55 -16.596 -6.944 -7.615 1.00 0.00 C ATOM 785 NZ LYS A 55 -17.052 -7.876 -8.682 1.00 0.00 N ATOM 0 H LYS A 55 -11.938 -7.295 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.738 -4.496 -7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.037 -5.423 -8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.339 -6.892 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.983 -5.577 -6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.760 -4.209 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.394 -5.108 -8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.240 -6.347 -9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.011 -7.466 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.442 -6.485 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.638 -8.625 -8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.612 -7.352 -9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.225 -8.303 -9.147 1.00 0.00 H new ATOM 799 N CYS A 56 -13.054 -3.677 -5.073 1.00 0.00 N ATOM 800 CA CYS A 56 -13.692 -3.234 -3.799 1.00 0.00 C ATOM 801 C CYS A 56 -15.217 -3.318 -3.917 1.00 0.00 C ATOM 802 O CYS A 56 -15.765 -3.343 -5.001 1.00 0.00 O ATOM 803 CB CYS A 56 -13.243 -1.785 -3.604 1.00 0.00 C ATOM 804 SG CYS A 56 -11.458 -1.657 -3.886 1.00 0.00 S ATOM 0 H CYS A 56 -12.710 -2.927 -5.673 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.404 -3.860 -2.955 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.778 -1.132 -4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.487 -1.451 -2.595 1.00 0.00 H new ATOM 809 N PHE A 57 -15.905 -3.370 -2.809 1.00 0.00 N ATOM 810 CA PHE A 57 -17.394 -3.460 -2.858 1.00 0.00 C ATOM 811 C PHE A 57 -18.005 -2.077 -3.097 1.00 0.00 C ATOM 812 O PHE A 57 -17.311 -1.120 -3.376 1.00 0.00 O ATOM 813 CB PHE A 57 -17.803 -3.997 -1.487 1.00 0.00 C ATOM 814 CG PHE A 57 -17.756 -5.506 -1.507 1.00 0.00 C ATOM 815 CD1 PHE A 57 -16.644 -6.163 -2.046 1.00 0.00 C ATOM 816 CD2 PHE A 57 -18.824 -6.247 -0.988 1.00 0.00 C ATOM 817 CE1 PHE A 57 -16.600 -7.562 -2.067 1.00 0.00 C ATOM 818 CE2 PHE A 57 -18.780 -7.646 -1.008 1.00 0.00 C ATOM 819 CZ PHE A 57 -17.668 -8.304 -1.548 1.00 0.00 C ATOM 0 H PHE A 57 -15.502 -3.354 -1.872 1.00 0.00 H new ATOM 0 HA PHE A 57 -17.740 -4.101 -3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.134 -3.611 -0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -18.807 -3.656 -1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.820 -5.591 -2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -19.682 -5.740 -0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.742 -8.069 -2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.604 -8.218 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.634 -9.383 -1.564 1.00 0.00 H new ATOM 829 N ARG A 58 -19.302 -1.966 -2.994 1.00 0.00 N ATOM 830 CA ARG A 58 -19.958 -0.651 -3.218 1.00 0.00 C ATOM 831 C ARG A 58 -19.764 0.254 -2.003 1.00 0.00 C ATOM 832 O ARG A 58 -19.464 1.424 -2.130 1.00 0.00 O ATOM 833 CB ARG A 58 -21.440 -0.973 -3.421 1.00 0.00 C ATOM 834 CG ARG A 58 -22.076 0.093 -4.314 1.00 0.00 C ATOM 835 CD ARG A 58 -22.995 -0.578 -5.337 1.00 0.00 C ATOM 836 NE ARG A 58 -22.611 0.018 -6.647 1.00 0.00 N ATOM 837 CZ ARG A 58 -22.115 -0.739 -7.587 1.00 0.00 C ATOM 838 NH1 ARG A 58 -21.405 -1.790 -7.274 1.00 0.00 N ATOM 839 NH2 ARG A 58 -22.327 -0.447 -8.841 1.00 0.00 N ATOM 0 H ARG A 58 -19.935 -2.732 -2.764 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.537 -0.123 -4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.550 -1.957 -3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.951 -1.008 -2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -22.644 0.799 -3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -21.301 0.664 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -22.859 -1.660 -5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -24.044 -0.389 -5.109 1.00 0.00 H new ATOM 0 HE ARG A 58 -22.736 1.017 -6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -21.238 -2.019 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.018 -2.381 -8.009 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -22.881 0.374 -9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -21.939 -1.039 -9.575 1.00 0.00 H new ATOM 853 N HIS A 59 -19.921 -0.279 -0.825 1.00 0.00 N ATOM 854 CA HIS A 59 -19.731 0.553 0.396 1.00 0.00 C ATOM 855 C HIS A 59 -18.236 0.749 0.660 1.00 0.00 C ATOM 856 O HIS A 59 -17.841 1.338 1.647 1.00 0.00 O ATOM 857 CB HIS A 59 -20.379 -0.245 1.529 1.00 0.00 C ATOM 858 CG HIS A 59 -21.451 0.585 2.179 1.00 0.00 C ATOM 859 ND1 HIS A 59 -22.165 1.550 1.485 1.00 0.00 N ATOM 860 CD2 HIS A 59 -21.945 0.604 3.462 1.00 0.00 C ATOM 861 CE1 HIS A 59 -23.039 2.104 2.346 1.00 0.00 C ATOM 862 NE2 HIS A 59 -22.947 1.564 3.564 1.00 0.00 N ATOM 0 H HIS A 59 -20.172 -1.253 -0.654 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.174 1.544 0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.806 -1.169 1.139 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.627 -0.528 2.265 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -21.607 -0.030 4.268 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -23.731 2.890 2.083 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -23.494 1.804 4.391 1.00 0.00 H new ATOM 870 N GLU A 60 -17.400 0.257 -0.216 1.00 0.00 N ATOM 871 CA GLU A 60 -15.933 0.409 -0.019 1.00 0.00 C ATOM 872 C GLU A 60 -15.290 0.971 -1.291 1.00 0.00 C ATOM 873 O GLU A 60 -15.870 0.932 -2.358 1.00 0.00 O ATOM 874 CB GLU A 60 -15.434 -1.008 0.253 1.00 0.00 C ATOM 875 CG GLU A 60 -15.518 -1.305 1.753 1.00 0.00 C ATOM 876 CD GLU A 60 -15.516 -2.818 1.974 1.00 0.00 C ATOM 877 OE1 GLU A 60 -16.524 -3.442 1.686 1.00 0.00 O ATOM 878 OE2 GLU A 60 -14.505 -3.328 2.431 1.00 0.00 O ATOM 0 H GLU A 60 -17.673 -0.245 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.686 1.095 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.033 -1.728 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.405 -1.114 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.675 -0.850 2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.424 -0.867 2.171 1.00 0.00 H new ATOM 885 N TYR A 61 -14.094 1.486 -1.192 1.00 0.00 N ATOM 886 CA TYR A 61 -13.423 2.037 -2.406 1.00 0.00 C ATOM 887 C TYR A 61 -12.020 1.466 -2.546 1.00 0.00 C ATOM 888 O TYR A 61 -11.574 0.668 -1.743 1.00 0.00 O ATOM 889 CB TYR A 61 -13.339 3.549 -2.195 1.00 0.00 C ATOM 890 CG TYR A 61 -12.493 3.852 -0.980 1.00 0.00 C ATOM 891 CD1 TYR A 61 -13.015 3.658 0.305 1.00 0.00 C ATOM 892 CD2 TYR A 61 -11.184 4.331 -1.136 1.00 0.00 C ATOM 893 CE1 TYR A 61 -12.233 3.940 1.431 1.00 0.00 C ATOM 894 CE2 TYR A 61 -10.402 4.612 -0.008 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.927 4.417 1.274 1.00 0.00 C ATOM 896 OH TYR A 61 -10.157 4.696 2.385 1.00 0.00 O ATOM 0 H TYR A 61 -13.555 1.549 -0.329 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.977 1.780 -3.309 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.909 4.025 -3.076 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.339 3.963 -2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -14.023 3.290 0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.779 4.483 -2.126 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -12.638 3.789 2.421 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.394 4.979 -0.128 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.276 5.017 2.100 1.00 0.00 H new ATOM 906 N VAL A 62 -11.321 1.890 -3.558 1.00 0.00 N ATOM 907 CA VAL A 62 -9.930 1.398 -3.771 1.00 0.00 C ATOM 908 C VAL A 62 -8.945 2.334 -3.069 1.00 0.00 C ATOM 909 O VAL A 62 -8.511 3.323 -3.622 1.00 0.00 O ATOM 910 CB VAL A 62 -9.718 1.428 -5.286 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.229 1.271 -5.599 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.491 0.276 -5.931 1.00 0.00 C ATOM 0 H VAL A 62 -11.653 2.560 -4.252 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.773 0.398 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.076 2.379 -5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.080 1.293 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.672 2.088 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.872 0.321 -5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.341 0.296 -7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.131 -0.672 -5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.553 0.382 -5.710 1.00 0.00 H new ATOM 922 N ASP A 63 -8.598 2.025 -1.852 1.00 0.00 N ATOM 923 CA ASP A 63 -7.645 2.897 -1.098 1.00 0.00 C ATOM 924 C ASP A 63 -6.395 3.147 -1.941 1.00 0.00 C ATOM 925 O ASP A 63 -5.425 2.421 -1.866 1.00 0.00 O ATOM 926 CB ASP A 63 -7.282 2.129 0.179 1.00 0.00 C ATOM 927 CG ASP A 63 -8.520 1.452 0.754 1.00 0.00 C ATOM 928 OD1 ASP A 63 -9.614 1.868 0.410 1.00 0.00 O ATOM 929 OD2 ASP A 63 -8.348 0.524 1.520 1.00 0.00 O ATOM 0 H ASP A 63 -8.931 1.206 -1.343 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.085 3.866 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.519 1.382 -0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.857 2.812 0.915 1.00 0.00 H new ATOM 934 N THR A 64 -6.416 4.169 -2.748 1.00 0.00 N ATOM 935 CA THR A 64 -5.232 4.466 -3.608 1.00 0.00 C ATOM 936 C THR A 64 -3.954 4.521 -2.768 1.00 0.00 C ATOM 937 O THR A 64 -2.861 4.355 -3.272 1.00 0.00 O ATOM 938 CB THR A 64 -5.517 5.838 -4.219 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.401 6.562 -3.375 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.152 5.665 -5.600 1.00 0.00 C ATOM 0 H THR A 64 -7.200 4.813 -2.851 1.00 0.00 H new ATOM 0 HA THR A 64 -5.081 3.698 -4.366 1.00 0.00 H new ATOM 0 HB THR A 64 -4.582 6.389 -4.319 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.581 7.442 -3.768 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.354 6.645 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.469 5.116 -6.248 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.086 5.111 -5.504 1.00 0.00 H new ATOM 948 N TYR A 65 -4.079 4.766 -1.495 1.00 0.00 N ATOM 949 CA TYR A 65 -2.869 4.846 -0.629 1.00 0.00 C ATOM 950 C TYR A 65 -2.228 3.468 -0.452 1.00 0.00 C ATOM 951 O TYR A 65 -1.062 3.276 -0.738 1.00 0.00 O ATOM 952 CB TYR A 65 -3.375 5.366 0.715 1.00 0.00 C ATOM 953 CG TYR A 65 -2.199 5.801 1.556 1.00 0.00 C ATOM 954 CD1 TYR A 65 -1.520 4.866 2.345 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.785 7.138 1.541 1.00 0.00 C ATOM 956 CE1 TYR A 65 -0.427 5.267 3.121 1.00 0.00 C ATOM 957 CE2 TYR A 65 -0.691 7.539 2.317 1.00 0.00 C ATOM 958 CZ TYR A 65 -0.012 6.605 3.107 1.00 0.00 C ATOM 959 OH TYR A 65 1.067 7.000 3.872 1.00 0.00 O ATOM 0 H TYR A 65 -4.967 4.915 -1.015 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.107 5.492 -1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.056 6.203 0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.938 4.588 1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.840 3.834 2.355 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.309 7.859 0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.097 4.545 3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.371 8.570 2.306 1.00 0.00 H new ATOM 0 HH TYR A 65 1.223 7.959 3.747 1.00 0.00 H new ATOM 969 N TYR A 66 -2.968 2.512 0.035 1.00 0.00 N ATOM 970 CA TYR A 66 -2.379 1.158 0.247 1.00 0.00 C ATOM 971 C TYR A 66 -2.457 0.311 -1.024 1.00 0.00 C ATOM 972 O TYR A 66 -1.949 -0.794 -1.073 1.00 0.00 O ATOM 973 CB TYR A 66 -3.201 0.532 1.371 1.00 0.00 C ATOM 974 CG TYR A 66 -2.474 0.734 2.679 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.502 -0.187 3.088 1.00 0.00 C ATOM 976 CD2 TYR A 66 -2.765 1.846 3.478 1.00 0.00 C ATOM 977 CE1 TYR A 66 -0.823 0.003 4.297 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.086 2.035 4.688 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.115 1.114 5.097 1.00 0.00 C ATOM 980 OH TYR A 66 -0.446 1.301 6.290 1.00 0.00 O ATOM 0 H TYR A 66 -3.950 2.607 0.295 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.321 1.218 0.502 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.190 0.989 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.349 -0.531 1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.276 -1.044 2.471 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.513 2.558 3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.074 -0.708 4.613 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.312 2.892 5.306 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.768 2.120 6.721 1.00 0.00 H new ATOM 990 N SER A 67 -3.060 0.816 -2.064 1.00 0.00 N ATOM 991 CA SER A 67 -3.121 0.020 -3.320 1.00 0.00 C ATOM 992 C SER A 67 -1.716 -0.487 -3.650 1.00 0.00 C ATOM 993 O SER A 67 -1.539 -1.467 -4.347 1.00 0.00 O ATOM 994 CB SER A 67 -3.612 0.994 -4.392 1.00 0.00 C ATOM 995 OG SER A 67 -2.504 1.442 -5.161 1.00 0.00 O ATOM 0 H SER A 67 -3.507 1.732 -2.099 1.00 0.00 H new ATOM 0 HA SER A 67 -3.779 -0.846 -3.245 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.343 0.506 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.114 1.843 -3.927 1.00 0.00 H new ATOM 0 HG SER A 67 -2.815 2.065 -5.850 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.715 0.183 -3.141 1.00 0.00 N ATOM 1002 CA ALA A 68 0.689 -0.236 -3.402 1.00 0.00 C ATOM 1003 C ALA A 68 0.981 -1.593 -2.751 1.00 0.00 C ATOM 1004 O ALA A 68 1.117 -2.594 -3.427 1.00 0.00 O ATOM 1005 CB ALA A 68 1.542 0.859 -2.761 1.00 0.00 C ATOM 0 H ALA A 68 -0.814 1.009 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 68 0.893 -0.354 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.598 0.630 -2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.312 1.818 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.326 0.911 -1.694 1.00 0.00 H new ATOM 1011 N VAL A 69 1.086 -1.640 -1.447 1.00 0.00 N ATOM 1012 CA VAL A 69 1.378 -2.943 -0.778 1.00 0.00 C ATOM 1013 C VAL A 69 0.516 -4.046 -1.390 1.00 0.00 C ATOM 1014 O VAL A 69 0.890 -5.202 -1.405 1.00 0.00 O ATOM 1015 CB VAL A 69 1.048 -2.739 0.707 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.463 -2.638 0.916 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.587 -3.918 1.515 1.00 0.00 C ATOM 0 H VAL A 69 0.983 -0.840 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 69 2.418 -3.245 -0.905 1.00 0.00 H new ATOM 0 HB VAL A 69 1.513 -1.811 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.675 -2.494 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.853 -1.792 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.940 -3.556 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.353 -3.774 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.126 -4.841 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.668 -3.982 1.389 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.632 -3.698 -1.902 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.513 -4.731 -2.518 1.00 0.00 C ATOM 1029 C CYS A 70 -0.827 -5.355 -3.736 1.00 0.00 C ATOM 1030 O CYS A 70 -0.539 -6.535 -3.761 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.772 -3.976 -2.941 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.071 -4.246 -1.711 1.00 0.00 S ATOM 0 H CYS A 70 -0.998 -2.746 -1.921 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.738 -5.545 -1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.558 -2.911 -3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.105 -4.320 -3.920 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.566 -4.572 -4.748 1.00 0.00 N ATOM 1038 CA GLY A 71 0.099 -5.122 -5.963 1.00 0.00 C ATOM 1039 C GLY A 71 -0.957 -5.426 -7.027 1.00 0.00 C ATOM 1040 O GLY A 71 -1.579 -4.535 -7.571 1.00 0.00 O ATOM 0 H GLY A 71 -0.784 -3.576 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.825 -4.406 -6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.649 -6.029 -5.711 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.166 -6.678 -7.328 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.185 -7.037 -8.357 1.00 0.00 C ATOM 1046 C ARG A 72 -3.576 -6.593 -7.897 1.00 0.00 C ATOM 1047 O ARG A 72 -4.300 -5.939 -8.621 1.00 0.00 O ATOM 1048 CB ARG A 72 -2.113 -8.560 -8.470 1.00 0.00 C ATOM 1049 CG ARG A 72 -0.842 -8.954 -9.226 1.00 0.00 C ATOM 1050 CD ARG A 72 -1.013 -10.352 -9.825 1.00 0.00 C ATOM 1051 NE ARG A 72 0.366 -10.790 -10.177 1.00 0.00 N ATOM 1052 CZ ARG A 72 0.569 -11.518 -11.242 1.00 0.00 C ATOM 1053 NH1 ARG A 72 0.652 -10.951 -12.415 1.00 0.00 N ATOM 1054 NH2 ARG A 72 0.689 -12.813 -11.133 1.00 0.00 N ATOM 0 H ARG A 72 -0.677 -7.468 -6.907 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.998 -6.551 -9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.113 -9.010 -7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.992 -8.939 -8.992 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.638 -8.231 -10.016 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.014 -8.939 -8.551 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.474 -11.034 -9.111 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.657 -10.329 -10.704 1.00 0.00 H new ATOM 0 HE ARG A 72 1.153 -10.521 -9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.558 -9.939 -12.500 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.811 -11.520 -13.246 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.624 -13.256 -10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.848 -13.382 -11.964 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.954 -6.937 -6.695 1.00 0.00 N ATOM 1069 CA TYR A 73 -5.296 -6.526 -6.191 1.00 0.00 C ATOM 1070 C TYR A 73 -5.254 -5.073 -5.716 1.00 0.00 C ATOM 1071 O TYR A 73 -4.266 -4.383 -5.877 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.587 -7.449 -5.007 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.740 -8.876 -5.479 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -6.343 -9.152 -6.713 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -5.282 -9.925 -4.674 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -6.486 -10.478 -7.139 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -5.426 -11.250 -5.100 1.00 0.00 C ATOM 1078 CZ TYR A 73 -6.028 -11.527 -6.333 1.00 0.00 C ATOM 1079 OH TYR A 73 -6.169 -12.834 -6.753 1.00 0.00 O ATOM 0 H TYR A 73 -3.393 -7.484 -6.042 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.060 -6.600 -6.965 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.778 -7.384 -4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.497 -7.127 -4.501 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.697 -8.343 -7.335 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.817 -9.712 -3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.950 -10.692 -8.090 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.073 -12.059 -4.478 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.797 -13.437 -6.076 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.314 -4.607 -5.118 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.335 -3.205 -4.616 1.00 0.00 C ATOM 1091 C PHE A 74 -6.725 -3.190 -3.139 1.00 0.00 C ATOM 1092 O PHE A 74 -7.610 -3.907 -2.716 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.402 -2.490 -5.446 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.208 -2.799 -6.910 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -6.056 -2.362 -7.573 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -8.187 -3.520 -7.604 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -5.883 -2.645 -8.933 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -8.014 -3.804 -8.963 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.861 -3.367 -9.627 1.00 0.00 C ATOM 0 H PHE A 74 -7.169 -5.138 -4.955 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.361 -2.724 -4.706 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.395 -2.806 -5.127 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.342 -1.414 -5.282 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.301 -1.807 -7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.075 -3.857 -7.091 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.995 -2.306 -9.447 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.769 -4.360 -9.499 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.726 -3.587 -10.676 1.00 0.00 H new ATOM 1109 N CYS A 75 -6.088 -2.372 -2.350 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.448 -2.313 -0.907 1.00 0.00 C ATOM 1111 C CYS A 75 -7.703 -1.463 -0.750 1.00 0.00 C ATOM 1112 O CYS A 75 -7.657 -0.262 -0.903 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.257 -1.642 -0.216 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.745 -1.098 1.442 1.00 0.00 S ATOM 0 H CYS A 75 -5.338 -1.745 -2.640 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.649 -3.296 -0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.422 -2.339 -0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.915 -0.790 -0.804 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.824 -2.066 -0.467 1.00 0.00 N ATOM 1120 CA CYS A 76 -10.071 -1.264 -0.325 1.00 0.00 C ATOM 1121 C CYS A 76 -10.359 -0.964 1.147 1.00 0.00 C ATOM 1122 O CYS A 76 -9.910 -1.657 2.039 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.184 -2.130 -0.912 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.642 -2.855 -2.480 1.00 0.00 S ATOM 0 H CYS A 76 -8.931 -3.071 -0.329 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.987 -0.304 -0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.451 -2.920 -0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.079 -1.528 -1.070 1.00 0.00 H new ATOM 1129 N ARG A 77 -11.118 0.064 1.395 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.465 0.430 2.804 1.00 0.00 C ATOM 1131 C ARG A 77 -12.908 0.928 2.869 1.00 0.00 C ATOM 1132 O ARG A 77 -13.625 0.916 1.888 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.513 1.567 3.197 1.00 0.00 C ATOM 1134 CG ARG A 77 -9.254 0.997 3.854 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.083 1.958 3.635 1.00 0.00 C ATOM 1136 NE ARG A 77 -8.038 2.791 4.869 1.00 0.00 N ATOM 1137 CZ ARG A 77 -6.958 3.460 5.166 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -6.430 4.269 4.289 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -6.405 3.317 6.339 1.00 0.00 N ATOM 0 H ARG A 77 -11.518 0.673 0.681 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.369 -0.426 3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.241 2.146 2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -11.014 2.250 3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.423 0.850 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.021 0.020 3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.149 1.416 3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.236 2.573 2.748 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.852 2.838 5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.862 4.378 3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.586 4.792 4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.817 2.682 7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.561 3.840 6.572 1.00 0.00 H new ATOM 1153 N SER A 78 -13.336 1.375 4.015 1.00 0.00 N ATOM 1154 CA SER A 78 -14.732 1.884 4.138 1.00 0.00 C ATOM 1155 C SER A 78 -14.722 3.400 4.346 1.00 0.00 C ATOM 1156 O SER A 78 -14.590 3.885 5.453 1.00 0.00 O ATOM 1157 CB SER A 78 -15.307 1.177 5.365 1.00 0.00 C ATOM 1158 OG SER A 78 -14.600 1.599 6.524 1.00 0.00 O ATOM 0 H SER A 78 -12.782 1.411 4.871 1.00 0.00 H new ATOM 0 HA SER A 78 -15.324 1.689 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 78 -16.367 1.407 5.468 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.225 0.096 5.248 1.00 0.00 H new ATOM 0 HG SER A 78 -14.647 2.575 6.598 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.860 4.154 3.289 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.858 5.639 3.426 1.00 0.00 C ATOM 1166 C ARG A 79 -16.110 6.104 4.174 1.00 0.00 C ATOM 1167 O ARG A 79 -16.061 7.169 4.768 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.862 6.169 1.992 1.00 0.00 C ATOM 1169 CG ARG A 79 -14.640 7.682 2.007 1.00 0.00 C ATOM 1170 CD ARG A 79 -13.154 7.983 1.795 1.00 0.00 C ATOM 1171 NE ARG A 79 -13.129 9.227 0.977 1.00 0.00 N ATOM 1172 CZ ARG A 79 -12.001 9.847 0.766 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -11.438 10.523 1.731 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -11.435 9.791 -0.408 1.00 0.00 N ATOM 1175 OXT ARG A 79 -17.097 5.388 4.139 1.00 0.00 O ATOM 0 H ARG A 79 -14.974 3.806 2.337 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.999 6.000 3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.079 5.682 1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.811 5.935 1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.233 8.155 1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.975 8.100 2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.640 8.125 2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.654 7.162 1.281 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.994 9.594 0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.880 10.566 2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.556 11.008 1.567 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.875 9.262 -1.161 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.553 10.276 -0.573 1.00 0.00 H new TER 1189 ARG A 79