USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 506 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 MET CE :methyl -160:sc= -0.121 (180deg=-0.643) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0198 (180deg=-0.17) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 8 LYS NZ :NH3+ 138:sc= 0.78 (180deg=-0.493!) USER MOD Single : A 10 GLN : amide:sc= -0.434 K(o=-0.43,f=-3.2) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= -0.505 (180deg=-1.62!) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.13) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0379 (180deg=-0.244) USER MOD Single : A 29 ASN : amide:sc= -2.73! C(o=-2.7!,f=-9.5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 111:sc= 0.367 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00625 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= -2.98! (180deg=-4.69!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= 0.218 (180deg=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.819 5.831 15.400 1.00 0.00 N ATOM 2 CA MET A 1 15.973 4.660 15.719 1.00 0.00 C ATOM 3 C MET A 1 16.822 3.403 15.780 1.00 0.00 C ATOM 4 O MET A 1 17.736 3.225 14.975 1.00 0.00 O ATOM 5 CB MET A 1 14.869 4.485 14.671 1.00 0.00 C ATOM 6 CG MET A 1 13.930 5.676 14.564 1.00 0.00 C ATOM 7 SD MET A 1 12.621 5.430 13.345 1.00 0.00 S ATOM 8 CE MET A 1 13.584 5.227 11.849 1.00 0.00 C ATOM 0 H1 MET A 1 16.272 6.704 15.543 1.00 0.00 H new ATOM 0 H2 MET A 1 17.651 5.838 16.024 1.00 0.00 H new ATOM 0 H3 MET A 1 17.130 5.775 14.409 1.00 0.00 H new ATOM 0 HA MET A 1 15.509 4.830 16.690 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.329 4.308 13.699 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.287 3.596 14.915 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.481 5.867 15.539 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.505 6.563 14.299 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.953 5.420 10.981 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.418 5.929 11.855 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.968 4.208 11.799 1.00 0.00 H new ATOM 20 N PRO A 2 16.546 2.518 16.746 1.00 0.00 N ATOM 21 CA PRO A 2 17.283 1.270 16.902 1.00 0.00 C ATOM 22 C PRO A 2 16.767 0.175 15.972 1.00 0.00 C ATOM 23 O PRO A 2 15.610 -0.242 16.063 1.00 0.00 O ATOM 24 CB PRO A 2 17.035 0.908 18.366 1.00 0.00 C ATOM 25 CG PRO A 2 15.695 1.486 18.686 1.00 0.00 C ATOM 26 CD PRO A 2 15.489 2.665 17.766 1.00 0.00 C ATOM 0 HA PRO A 2 18.338 1.373 16.649 1.00 0.00 H new ATOM 0 HB2 PRO A 2 17.044 -0.172 18.512 1.00 0.00 H new ATOM 0 HB3 PRO A 2 17.808 1.324 19.012 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.911 0.743 18.542 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.650 1.799 19.729 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.496 2.650 17.316 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.582 3.609 18.302 1.00 0.00 H new ATOM 34 N LEU A 3 17.621 -0.279 15.064 1.00 0.00 N ATOM 35 CA LEU A 3 17.251 -1.341 14.142 1.00 0.00 C ATOM 36 C LEU A 3 17.347 -2.693 14.844 1.00 0.00 C ATOM 37 O LEU A 3 18.363 -3.388 14.757 1.00 0.00 O ATOM 38 CB LEU A 3 18.143 -1.308 12.899 1.00 0.00 C ATOM 39 CG LEU A 3 17.772 -2.301 11.797 1.00 0.00 C ATOM 40 CD1 LEU A 3 16.352 -2.063 11.311 1.00 0.00 C ATOM 41 CD2 LEU A 3 18.753 -2.193 10.642 1.00 0.00 C ATOM 0 H LEU A 3 18.572 0.071 14.947 1.00 0.00 H new ATOM 0 HA LEU A 3 16.221 -1.188 13.820 1.00 0.00 H new ATOM 0 HB2 LEU A 3 18.117 -0.302 12.481 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.171 -1.500 13.206 1.00 0.00 H new ATOM 0 HG LEU A 3 17.825 -3.308 12.210 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.110 -2.781 10.527 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.658 -2.186 12.142 1.00 0.00 H new ATOM 0 HD13 LEU A 3 16.268 -1.051 10.914 1.00 0.00 H new ATOM 0 HD21 LEU A 3 18.478 -2.905 9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 3 18.726 -1.182 10.235 1.00 0.00 H new ATOM 0 HD23 LEU A 3 19.759 -2.414 10.997 1.00 0.00 H new ATOM 53 N THR A 4 16.297 -3.032 15.572 1.00 0.00 N ATOM 54 CA THR A 4 16.271 -4.238 16.381 1.00 0.00 C ATOM 55 C THR A 4 15.831 -5.450 15.566 1.00 0.00 C ATOM 56 O THR A 4 16.430 -6.523 15.653 1.00 0.00 O ATOM 57 CB THR A 4 15.331 -4.051 17.591 1.00 0.00 C ATOM 58 OG1 THR A 4 14.059 -3.549 17.153 1.00 0.00 O ATOM 59 CG2 THR A 4 15.939 -3.087 18.599 1.00 0.00 C ATOM 0 H THR A 4 15.440 -2.480 15.619 1.00 0.00 H new ATOM 0 HA THR A 4 17.286 -4.419 16.736 1.00 0.00 H new ATOM 0 HB THR A 4 15.193 -5.020 18.070 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.468 -3.435 17.927 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.261 -2.969 19.444 1.00 0.00 H new ATOM 0 HG22 THR A 4 16.892 -3.482 18.951 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.100 -2.119 18.125 1.00 0.00 H new ATOM 67 N ASP A 5 14.787 -5.265 14.772 1.00 0.00 N ATOM 68 CA ASP A 5 14.231 -6.341 13.960 1.00 0.00 C ATOM 69 C ASP A 5 14.963 -6.477 12.632 1.00 0.00 C ATOM 70 O ASP A 5 15.514 -5.509 12.104 1.00 0.00 O ATOM 71 CB ASP A 5 12.738 -6.115 13.706 1.00 0.00 C ATOM 72 CG ASP A 5 12.442 -4.729 13.169 1.00 0.00 C ATOM 73 OD1 ASP A 5 12.371 -3.775 13.977 1.00 0.00 O ATOM 74 OD2 ASP A 5 12.293 -4.577 11.942 1.00 0.00 O ATOM 0 H ASP A 5 14.303 -4.373 14.671 1.00 0.00 H new ATOM 0 HA ASP A 5 14.362 -7.267 14.520 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.377 -6.860 12.997 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.188 -6.266 14.635 1.00 0.00 H new ATOM 79 N PRO A 6 14.975 -7.699 12.084 1.00 0.00 N ATOM 80 CA PRO A 6 15.624 -8.000 10.806 1.00 0.00 C ATOM 81 C PRO A 6 14.811 -7.518 9.604 1.00 0.00 C ATOM 82 O PRO A 6 15.355 -7.317 8.516 1.00 0.00 O ATOM 83 CB PRO A 6 15.706 -9.527 10.815 1.00 0.00 C ATOM 84 CG PRO A 6 14.547 -9.962 11.646 1.00 0.00 C ATOM 85 CD PRO A 6 14.363 -8.897 12.693 1.00 0.00 C ATOM 0 HA PRO A 6 16.588 -7.500 10.709 1.00 0.00 H new ATOM 0 HB2 PRO A 6 15.644 -9.933 9.805 1.00 0.00 H new ATOM 0 HB3 PRO A 6 16.649 -9.871 11.240 1.00 0.00 H new ATOM 0 HG2 PRO A 6 13.649 -10.070 11.037 1.00 0.00 H new ATOM 0 HG3 PRO A 6 14.739 -10.932 12.106 1.00 0.00 H new ATOM 0 HD2 PRO A 6 13.309 -8.737 12.920 1.00 0.00 H new ATOM 0 HD3 PRO A 6 14.854 -9.166 13.628 1.00 0.00 H new ATOM 93 N ALA A 7 13.514 -7.335 9.810 1.00 0.00 N ATOM 94 CA ALA A 7 12.618 -6.915 8.745 1.00 0.00 C ATOM 95 C ALA A 7 11.337 -6.339 9.329 1.00 0.00 C ATOM 96 O ALA A 7 10.842 -6.822 10.347 1.00 0.00 O ATOM 97 CB ALA A 7 12.299 -8.084 7.823 1.00 0.00 C ATOM 0 H ALA A 7 13.058 -7.472 10.712 1.00 0.00 H new ATOM 0 HA ALA A 7 13.115 -6.140 8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.627 -7.751 7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.221 -8.461 7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.820 -8.878 8.395 1.00 0.00 H new ATOM 103 N LYS A 8 10.812 -5.307 8.685 1.00 0.00 N ATOM 104 CA LYS A 8 9.593 -4.661 9.146 1.00 0.00 C ATOM 105 C LYS A 8 8.365 -5.412 8.645 1.00 0.00 C ATOM 106 O LYS A 8 8.376 -5.979 7.551 1.00 0.00 O ATOM 107 CB LYS A 8 9.540 -3.194 8.693 1.00 0.00 C ATOM 108 CG LYS A 8 10.442 -2.259 9.492 1.00 0.00 C ATOM 109 CD LYS A 8 11.918 -2.514 9.226 1.00 0.00 C ATOM 110 CE LYS A 8 12.802 -1.691 10.148 1.00 0.00 C ATOM 111 NZ LYS A 8 12.553 -2.010 11.579 1.00 0.00 N ATOM 0 H LYS A 8 11.212 -4.899 7.840 1.00 0.00 H new ATOM 0 HA LYS A 8 9.596 -4.682 10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.821 -3.140 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.512 -2.840 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.203 -1.225 9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.240 -2.384 10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.135 -3.573 9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.149 -2.272 8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.849 -1.878 9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.620 -0.630 9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.460 -2.064 12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.964 -1.265 12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.061 -2.924 11.651 1.00 0.00 H new ATOM 125 N LEU A 9 7.315 -5.412 9.455 1.00 0.00 N ATOM 126 CA LEU A 9 6.086 -6.114 9.120 1.00 0.00 C ATOM 127 C LEU A 9 5.162 -5.211 8.308 1.00 0.00 C ATOM 128 O LEU A 9 4.673 -4.192 8.806 1.00 0.00 O ATOM 129 CB LEU A 9 5.396 -6.597 10.408 1.00 0.00 C ATOM 130 CG LEU A 9 4.167 -7.495 10.224 1.00 0.00 C ATOM 131 CD1 LEU A 9 4.039 -8.454 11.397 1.00 0.00 C ATOM 132 CD2 LEU A 9 2.902 -6.660 10.108 1.00 0.00 C ATOM 0 H LEU A 9 7.291 -4.930 10.354 1.00 0.00 H new ATOM 0 HA LEU A 9 6.325 -6.984 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.129 -7.138 11.006 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.097 -5.722 10.985 1.00 0.00 H new ATOM 0 HG LEU A 9 4.297 -8.064 9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.163 -9.087 11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.931 -9.077 11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.931 -7.886 12.321 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.043 -7.318 9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.772 -6.068 11.014 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.983 -5.995 9.248 1.00 0.00 H new ATOM 144 N GLN A 10 4.948 -5.578 7.053 1.00 0.00 N ATOM 145 CA GLN A 10 4.048 -4.840 6.177 1.00 0.00 C ATOM 146 C GLN A 10 2.685 -5.518 6.116 1.00 0.00 C ATOM 147 O GLN A 10 2.398 -6.432 6.884 1.00 0.00 O ATOM 148 CB GLN A 10 4.627 -4.725 4.763 1.00 0.00 C ATOM 149 CG GLN A 10 5.617 -3.586 4.579 1.00 0.00 C ATOM 150 CD GLN A 10 6.881 -3.755 5.398 1.00 0.00 C ATOM 151 OE1 GLN A 10 6.972 -3.271 6.524 1.00 0.00 O ATOM 152 NE2 GLN A 10 7.859 -4.447 4.839 1.00 0.00 N ATOM 0 H GLN A 10 5.388 -6.388 6.616 1.00 0.00 H new ATOM 0 HA GLN A 10 3.932 -3.838 6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.120 -5.663 4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.807 -4.594 4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.882 -3.511 3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.136 -2.647 4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.741 -4.831 3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.732 -4.597 5.345 1.00 0.00 H new ATOM 161 N ILE A 11 1.854 -5.074 5.179 1.00 0.00 N ATOM 162 CA ILE A 11 0.511 -5.617 5.017 1.00 0.00 C ATOM 163 C ILE A 11 0.524 -6.927 4.225 1.00 0.00 C ATOM 164 O ILE A 11 -0.525 -7.482 3.908 1.00 0.00 O ATOM 165 CB ILE A 11 -0.432 -4.585 4.345 1.00 0.00 C ATOM 166 CG1 ILE A 11 0.137 -4.075 3.018 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.690 -3.426 5.290 1.00 0.00 C ATOM 168 CD1 ILE A 11 -0.117 -5.006 1.856 1.00 0.00 C ATOM 0 H ILE A 11 2.089 -4.335 4.517 1.00 0.00 H new ATOM 0 HA ILE A 11 0.129 -5.833 6.014 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.374 -5.087 4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.299 -3.101 2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.211 -3.926 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.353 -2.706 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.157 -3.797 6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.254 -2.941 5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.313 -4.582 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.343 -5.973 2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.191 -5.136 1.722 1.00 0.00 H new ATOM 180 N VAL A 12 1.719 -7.411 3.921 1.00 0.00 N ATOM 181 CA VAL A 12 1.876 -8.647 3.167 1.00 0.00 C ATOM 182 C VAL A 12 1.298 -9.839 3.932 1.00 0.00 C ATOM 183 O VAL A 12 1.751 -10.167 5.030 1.00 0.00 O ATOM 184 CB VAL A 12 3.357 -8.903 2.806 1.00 0.00 C ATOM 185 CG1 VAL A 12 3.833 -7.876 1.790 1.00 0.00 C ATOM 186 CG2 VAL A 12 4.244 -8.867 4.044 1.00 0.00 C ATOM 0 H VAL A 12 2.597 -6.965 4.186 1.00 0.00 H new ATOM 0 HA VAL A 12 1.317 -8.533 2.238 1.00 0.00 H new ATOM 0 HB VAL A 12 3.430 -9.899 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.878 -8.066 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.227 -7.950 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.736 -6.875 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.279 -9.051 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.168 -7.888 4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.921 -9.636 4.746 1.00 0.00 H new ATOM 196 N GLN A 13 0.274 -10.451 3.337 1.00 0.00 N ATOM 197 CA GLN A 13 -0.435 -11.597 3.915 1.00 0.00 C ATOM 198 C GLN A 13 -1.248 -11.191 5.149 1.00 0.00 C ATOM 199 O GLN A 13 -0.776 -10.433 5.995 1.00 0.00 O ATOM 200 CB GLN A 13 0.535 -12.737 4.254 1.00 0.00 C ATOM 201 CG GLN A 13 -0.156 -14.002 4.735 1.00 0.00 C ATOM 202 CD GLN A 13 0.779 -15.194 4.795 1.00 0.00 C ATOM 203 OE1 GLN A 13 0.931 -15.922 3.812 1.00 0.00 O ATOM 204 NE2 GLN A 13 1.408 -15.408 5.939 1.00 0.00 N ATOM 0 H GLN A 13 -0.092 -10.163 2.430 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.133 -11.959 3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.130 -12.971 3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.228 -12.396 5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.578 -13.827 5.725 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.988 -14.232 4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.255 -14.782 6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.046 -16.199 6.030 1.00 0.00 H new ATOM 213 N GLN A 14 -2.486 -11.694 5.218 1.00 0.00 N ATOM 214 CA GLN A 14 -3.416 -11.429 6.329 1.00 0.00 C ATOM 215 C GLN A 14 -4.029 -10.030 6.248 1.00 0.00 C ATOM 216 O GLN A 14 -5.220 -9.854 6.507 1.00 0.00 O ATOM 217 CB GLN A 14 -2.747 -11.623 7.695 1.00 0.00 C ATOM 218 CG GLN A 14 -2.334 -13.056 7.982 1.00 0.00 C ATOM 219 CD GLN A 14 -1.668 -13.206 9.335 1.00 0.00 C ATOM 220 OE1 GLN A 14 -0.448 -13.089 9.457 1.00 0.00 O ATOM 221 NE2 GLN A 14 -2.463 -13.459 10.362 1.00 0.00 N ATOM 0 H GLN A 14 -2.877 -12.303 4.499 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.218 -12.160 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.866 -10.984 7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.432 -11.290 8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.213 -13.700 7.939 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.651 -13.397 7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.469 -13.549 10.218 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.070 -13.564 11.297 1.00 0.00 H new ATOM 230 N ARG A 15 -3.223 -9.039 5.890 1.00 0.00 N ATOM 231 CA ARG A 15 -3.701 -7.666 5.805 1.00 0.00 C ATOM 232 C ARG A 15 -4.359 -7.415 4.459 1.00 0.00 C ATOM 233 O ARG A 15 -3.716 -7.495 3.411 1.00 0.00 O ATOM 234 CB ARG A 15 -2.572 -6.655 6.045 1.00 0.00 C ATOM 235 CG ARG A 15 -1.966 -6.709 7.443 1.00 0.00 C ATOM 236 CD ARG A 15 -1.046 -7.907 7.612 1.00 0.00 C ATOM 237 NE ARG A 15 -0.649 -8.117 9.001 1.00 0.00 N ATOM 238 CZ ARG A 15 0.053 -9.169 9.420 1.00 0.00 C ATOM 239 NH1 ARG A 15 0.464 -10.091 8.558 1.00 0.00 N ATOM 240 NH2 ARG A 15 0.345 -9.296 10.704 1.00 0.00 N ATOM 0 H ARG A 15 -2.238 -9.160 5.654 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.441 -7.527 6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.783 -6.829 5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.956 -5.651 5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.408 -5.792 7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.764 -6.756 8.184 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.548 -8.801 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.155 -7.766 7.000 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.925 -7.418 9.691 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.243 -9.997 7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.001 -10.893 8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.033 -8.590 11.370 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.882 -10.100 11.028 1.00 0.00 H new ATOM 254 N VAL A 16 -5.653 -7.131 4.496 1.00 0.00 N ATOM 255 CA VAL A 16 -6.418 -6.841 3.290 1.00 0.00 C ATOM 256 C VAL A 16 -6.173 -5.393 2.861 1.00 0.00 C ATOM 257 O VAL A 16 -6.581 -4.962 1.780 1.00 0.00 O ATOM 258 CB VAL A 16 -7.932 -7.074 3.520 1.00 0.00 C ATOM 259 CG1 VAL A 16 -8.708 -7.000 2.212 1.00 0.00 C ATOM 260 CG2 VAL A 16 -8.168 -8.415 4.202 1.00 0.00 C ATOM 0 H VAL A 16 -6.200 -7.095 5.356 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.087 -7.517 2.502 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.296 -6.280 4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.767 -7.168 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.573 -6.015 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.340 -7.764 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.237 -8.562 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.778 -9.216 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.658 -8.428 5.165 1.00 0.00 H new ATOM 270 N PHE A 17 -5.489 -4.652 3.723 1.00 0.00 N ATOM 271 CA PHE A 17 -5.156 -3.263 3.457 1.00 0.00 C ATOM 272 C PHE A 17 -4.130 -3.170 2.337 1.00 0.00 C ATOM 273 O PHE A 17 -3.264 -4.036 2.204 1.00 0.00 O ATOM 274 CB PHE A 17 -4.617 -2.592 4.723 1.00 0.00 C ATOM 275 CG PHE A 17 -5.556 -2.683 5.892 1.00 0.00 C ATOM 276 CD1 PHE A 17 -6.641 -1.828 5.994 1.00 0.00 C ATOM 277 CD2 PHE A 17 -5.360 -3.632 6.883 1.00 0.00 C ATOM 278 CE1 PHE A 17 -7.510 -1.912 7.065 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.227 -3.723 7.956 1.00 0.00 C ATOM 280 CZ PHE A 17 -7.304 -2.862 8.046 1.00 0.00 C ATOM 0 H PHE A 17 -5.152 -4.997 4.622 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.062 -2.744 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.667 -3.053 4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.414 -1.542 4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.810 -1.087 5.227 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.520 -4.308 6.816 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.349 -1.236 7.135 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.063 -4.466 8.723 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.984 -2.932 8.882 1.00 0.00 H new ATOM 290 N LEU A 18 -4.233 -2.121 1.541 1.00 0.00 N ATOM 291 CA LEU A 18 -3.367 -1.947 0.388 1.00 0.00 C ATOM 292 C LEU A 18 -2.273 -0.931 0.662 1.00 0.00 C ATOM 293 O LEU A 18 -2.147 -0.418 1.771 1.00 0.00 O ATOM 294 CB LEU A 18 -4.173 -1.532 -0.841 1.00 0.00 C ATOM 295 CG LEU A 18 -5.034 -2.642 -1.448 1.00 0.00 C ATOM 296 CD1 LEU A 18 -5.707 -2.162 -2.722 1.00 0.00 C ATOM 297 CD2 LEU A 18 -4.196 -3.883 -1.722 1.00 0.00 C ATOM 0 H LEU A 18 -4.913 -1.372 1.673 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.895 -2.909 0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.819 -0.697 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.485 -1.167 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.809 -2.904 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.314 -2.966 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.343 -1.306 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.947 -1.869 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.827 -4.660 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.397 -3.635 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.763 -4.243 -0.789 1.00 0.00 H new ATOM 309 N LYS A 19 -1.467 -0.677 -0.353 1.00 0.00 N ATOM 310 CA LYS A 19 -0.345 0.236 -0.242 1.00 0.00 C ATOM 311 C LYS A 19 -0.702 1.614 -0.790 1.00 0.00 C ATOM 312 O LYS A 19 -1.765 1.804 -1.389 1.00 0.00 O ATOM 313 CB LYS A 19 0.844 -0.326 -1.012 1.00 0.00 C ATOM 314 CG LYS A 19 1.264 -1.716 -0.566 1.00 0.00 C ATOM 315 CD LYS A 19 2.050 -1.686 0.731 1.00 0.00 C ATOM 316 CE LYS A 19 2.989 -2.878 0.813 1.00 0.00 C ATOM 317 NZ LYS A 19 3.843 -2.996 -0.402 1.00 0.00 N ATOM 0 H LYS A 19 -1.572 -1.098 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.090 0.342 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.596 -0.355 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.690 0.352 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.378 -2.338 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.869 -2.179 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.622 -0.760 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.365 -1.697 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.623 -2.781 1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.407 -3.791 0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.765 -3.400 -0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.377 -3.616 -1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.984 -2.054 -0.820 1.00 0.00 H new ATOM 331 N LYS A 20 0.199 2.563 -0.582 1.00 0.00 N ATOM 332 CA LYS A 20 0.020 3.924 -1.065 1.00 0.00 C ATOM 333 C LYS A 20 0.817 4.142 -2.337 1.00 0.00 C ATOM 334 O LYS A 20 2.027 3.920 -2.368 1.00 0.00 O ATOM 335 CB LYS A 20 0.478 4.920 -0.005 1.00 0.00 C ATOM 336 CG LYS A 20 -0.041 4.604 1.384 1.00 0.00 C ATOM 337 CD LYS A 20 0.626 5.465 2.435 1.00 0.00 C ATOM 338 CE LYS A 20 2.131 5.260 2.448 1.00 0.00 C ATOM 339 NZ LYS A 20 2.781 6.109 3.481 1.00 0.00 N ATOM 0 H LYS A 20 1.071 2.412 -0.076 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.038 4.078 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.568 4.939 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.148 5.919 -0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.119 4.760 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.135 3.552 1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.402 6.514 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.216 5.226 3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.356 4.211 2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.542 5.498 1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.706 5.704 3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.914 7.070 3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.179 6.147 4.328 1.00 0.00 H new ATOM 353 N VAL A 21 0.145 4.603 -3.372 1.00 0.00 N ATOM 354 CA VAL A 21 0.778 4.809 -4.654 1.00 0.00 C ATOM 355 C VAL A 21 1.058 6.291 -4.876 1.00 0.00 C ATOM 356 O VAL A 21 0.187 7.139 -4.684 1.00 0.00 O ATOM 357 CB VAL A 21 -0.080 4.233 -5.809 1.00 0.00 C ATOM 358 CG1 VAL A 21 -1.483 4.817 -5.809 1.00 0.00 C ATOM 359 CG2 VAL A 21 0.591 4.465 -7.151 1.00 0.00 C ATOM 0 H VAL A 21 -0.846 4.843 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 21 1.726 4.272 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.166 3.159 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.055 4.390 -6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.975 4.582 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.427 5.899 -5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.031 4.052 -7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.722 5.535 -7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.565 3.975 -7.161 1.00 0.00 H new ATOM 369 N CYS A 22 2.297 6.594 -5.217 1.00 0.00 N ATOM 370 CA CYS A 22 2.703 7.950 -5.551 1.00 0.00 C ATOM 371 C CYS A 22 1.912 8.471 -6.740 1.00 0.00 C ATOM 372 O CYS A 22 1.824 7.801 -7.765 1.00 0.00 O ATOM 373 CB CYS A 22 4.191 7.954 -5.883 1.00 0.00 C ATOM 374 SG CYS A 22 4.853 9.516 -6.559 1.00 0.00 S ATOM 0 H CYS A 22 3.051 5.909 -5.271 1.00 0.00 H new ATOM 0 HA CYS A 22 2.508 8.600 -4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.746 7.708 -4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.385 7.158 -6.602 1.00 0.00 H new ATOM 379 N ARG A 23 1.353 9.667 -6.610 1.00 0.00 N ATOM 380 CA ARG A 23 0.582 10.262 -7.698 1.00 0.00 C ATOM 381 C ARG A 23 1.500 10.725 -8.835 1.00 0.00 C ATOM 382 O ARG A 23 1.040 11.017 -9.937 1.00 0.00 O ATOM 383 CB ARG A 23 -0.237 11.450 -7.186 1.00 0.00 C ATOM 384 CG ARG A 23 0.618 12.600 -6.685 1.00 0.00 C ATOM 385 CD ARG A 23 -0.210 13.845 -6.425 1.00 0.00 C ATOM 386 NE ARG A 23 -1.094 13.705 -5.269 1.00 0.00 N ATOM 387 CZ ARG A 23 -2.047 14.582 -4.959 1.00 0.00 C ATOM 388 NH1 ARG A 23 -2.289 15.614 -5.757 1.00 0.00 N ATOM 389 NH2 ARG A 23 -2.769 14.418 -3.858 1.00 0.00 N ATOM 0 H ARG A 23 1.417 10.242 -5.770 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.093 9.498 -8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.883 11.809 -7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.888 11.113 -6.379 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.126 12.303 -5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.392 12.825 -7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.457 14.693 -6.267 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.807 14.070 -7.309 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.974 12.891 -4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.744 15.737 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.020 16.284 -5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.594 13.619 -3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.499 15.090 -3.622 1.00 0.00 H new ATOM 403 N LYS A 24 2.801 10.764 -8.566 1.00 0.00 N ATOM 404 CA LYS A 24 3.761 11.331 -9.502 1.00 0.00 C ATOM 405 C LYS A 24 4.400 10.236 -10.354 1.00 0.00 C ATOM 406 O LYS A 24 4.429 10.332 -11.582 1.00 0.00 O ATOM 407 CB LYS A 24 4.842 12.112 -8.740 1.00 0.00 C ATOM 408 CG LYS A 24 4.283 13.101 -7.724 1.00 0.00 C ATOM 409 CD LYS A 24 3.418 14.168 -8.379 1.00 0.00 C ATOM 410 CE LYS A 24 4.249 15.159 -9.181 1.00 0.00 C ATOM 411 NZ LYS A 24 5.136 15.976 -8.311 1.00 0.00 N ATOM 0 H LYS A 24 3.214 10.408 -7.704 1.00 0.00 H new ATOM 0 HA LYS A 24 3.232 12.014 -10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.493 11.405 -8.225 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.461 12.652 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.694 12.563 -6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.106 13.578 -7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.688 13.692 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.857 14.702 -7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.854 14.619 -9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.586 15.817 -9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.475 16.804 -8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.605 16.294 -7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.949 15.402 -8.008 1.00 0.00 H new ATOM 425 N CYS A 25 4.904 9.191 -9.705 1.00 0.00 N ATOM 426 CA CYS A 25 5.545 8.093 -10.424 1.00 0.00 C ATOM 427 C CYS A 25 4.564 6.959 -10.651 1.00 0.00 C ATOM 428 O CYS A 25 4.584 6.292 -11.687 1.00 0.00 O ATOM 429 CB CYS A 25 6.736 7.526 -9.644 1.00 0.00 C ATOM 430 SG CYS A 25 7.812 8.761 -8.861 1.00 0.00 S ATOM 0 H CYS A 25 4.882 9.080 -8.691 1.00 0.00 H new ATOM 0 HA CYS A 25 5.889 8.501 -11.374 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.357 6.857 -8.872 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.338 6.922 -10.322 1.00 0.00 H new ATOM 435 N GLY A 26 3.690 6.765 -9.679 1.00 0.00 N ATOM 436 CA GLY A 26 2.928 5.543 -9.611 1.00 0.00 C ATOM 437 C GLY A 26 3.650 4.516 -8.765 1.00 0.00 C ATOM 438 O GLY A 26 3.363 3.321 -8.829 1.00 0.00 O ATOM 0 H GLY A 26 3.495 7.435 -8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.944 5.744 -9.188 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.770 5.150 -10.615 1.00 0.00 H new ATOM 442 N ALA A 27 4.596 4.998 -7.967 1.00 0.00 N ATOM 443 CA ALA A 27 5.385 4.137 -7.106 1.00 0.00 C ATOM 444 C ALA A 27 4.612 3.806 -5.844 1.00 0.00 C ATOM 445 O ALA A 27 4.319 4.691 -5.036 1.00 0.00 O ATOM 446 CB ALA A 27 6.712 4.802 -6.755 1.00 0.00 C ATOM 0 H ALA A 27 4.833 5.988 -7.901 1.00 0.00 H new ATOM 0 HA ALA A 27 5.594 3.211 -7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.290 4.142 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.273 4.999 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.522 5.742 -6.237 1.00 0.00 H new ATOM 452 N LEU A 28 4.270 2.540 -5.688 1.00 0.00 N ATOM 453 CA LEU A 28 3.541 2.089 -4.517 1.00 0.00 C ATOM 454 C LEU A 28 4.518 1.813 -3.389 1.00 0.00 C ATOM 455 O LEU A 28 5.355 0.915 -3.483 1.00 0.00 O ATOM 456 CB LEU A 28 2.727 0.830 -4.827 1.00 0.00 C ATOM 457 CG LEU A 28 1.936 0.877 -6.134 1.00 0.00 C ATOM 458 CD1 LEU A 28 2.686 0.152 -7.240 1.00 0.00 C ATOM 459 CD2 LEU A 28 0.547 0.287 -5.943 1.00 0.00 C ATOM 0 H LEU A 28 4.486 1.804 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 28 2.846 2.873 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.405 -0.023 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.032 0.653 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 28 1.822 1.920 -6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.107 0.197 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.654 0.628 -7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.836 -0.890 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.001 0.330 -6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.634 -0.751 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.010 0.858 -5.186 1.00 0.00 H new ATOM 471 N ASN A 29 4.417 2.588 -2.327 1.00 0.00 N ATOM 472 CA ASN A 29 5.346 2.476 -1.225 1.00 0.00 C ATOM 473 C ASN A 29 4.691 1.716 -0.090 1.00 0.00 C ATOM 474 O ASN A 29 3.461 1.670 0.001 1.00 0.00 O ATOM 475 CB ASN A 29 5.786 3.865 -0.764 1.00 0.00 C ATOM 476 CG ASN A 29 6.685 4.547 -1.779 1.00 0.00 C ATOM 477 OD1 ASN A 29 7.904 4.448 -1.709 1.00 0.00 O ATOM 478 ND2 ASN A 29 6.091 5.235 -2.742 1.00 0.00 N ATOM 0 H ASN A 29 3.699 3.302 -2.206 1.00 0.00 H new ATOM 0 HA ASN A 29 6.232 1.930 -1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.906 4.483 -0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.312 3.781 0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.651 5.703 -3.455 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.073 5.297 -2.771 1.00 0.00 H new ATOM 485 N PRO A 30 5.486 1.085 0.784 1.00 0.00 N ATOM 486 CA PRO A 30 4.940 0.344 1.908 1.00 0.00 C ATOM 487 C PRO A 30 4.183 1.266 2.845 1.00 0.00 C ATOM 488 O PRO A 30 4.451 2.466 2.900 1.00 0.00 O ATOM 489 CB PRO A 30 6.168 -0.250 2.605 1.00 0.00 C ATOM 490 CG PRO A 30 7.319 0.571 2.140 1.00 0.00 C ATOM 491 CD PRO A 30 6.961 1.056 0.758 1.00 0.00 C ATOM 0 HA PRO A 30 4.229 -0.421 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.065 -0.205 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.301 -1.299 2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.495 1.410 2.813 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.235 -0.019 2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.380 2.042 0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.337 0.385 -0.014 1.00 0.00 H new ATOM 499 N ILE A 31 3.239 0.708 3.578 1.00 0.00 N ATOM 500 CA ILE A 31 2.456 1.482 4.529 1.00 0.00 C ATOM 501 C ILE A 31 3.360 2.044 5.636 1.00 0.00 C ATOM 502 O ILE A 31 2.960 2.916 6.403 1.00 0.00 O ATOM 503 CB ILE A 31 1.324 0.634 5.155 1.00 0.00 C ATOM 504 CG1 ILE A 31 1.868 -0.373 6.185 1.00 0.00 C ATOM 505 CG2 ILE A 31 0.541 -0.087 4.064 1.00 0.00 C ATOM 506 CD1 ILE A 31 2.675 -1.511 5.595 1.00 0.00 C ATOM 0 H ILE A 31 2.993 -0.281 3.535 1.00 0.00 H new ATOM 0 HA ILE A 31 1.999 2.308 3.983 1.00 0.00 H new ATOM 0 HB ILE A 31 0.654 1.312 5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.491 0.162 6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.029 -0.791 6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.253 -0.680 4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.104 0.645 3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.211 -0.742 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.016 -2.168 6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.053 -2.077 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.537 -1.108 5.064 1.00 0.00 H new ATOM 518 N ARG A 32 4.586 1.527 5.698 1.00 0.00 N ATOM 519 CA ARG A 32 5.575 1.978 6.668 1.00 0.00 C ATOM 520 C ARG A 32 6.337 3.194 6.155 1.00 0.00 C ATOM 521 O ARG A 32 6.876 3.973 6.939 1.00 0.00 O ATOM 522 CB ARG A 32 6.569 0.860 6.969 1.00 0.00 C ATOM 523 CG ARG A 32 5.925 -0.415 7.478 1.00 0.00 C ATOM 524 CD ARG A 32 5.170 -0.178 8.776 1.00 0.00 C ATOM 525 NE ARG A 32 4.722 -1.427 9.388 1.00 0.00 N ATOM 526 CZ ARG A 32 4.150 -1.500 10.589 1.00 0.00 C ATOM 527 NH1 ARG A 32 3.880 -0.394 11.272 1.00 0.00 N ATOM 528 NH2 ARG A 32 3.829 -2.681 11.098 1.00 0.00 N ATOM 0 H ARG A 32 4.918 0.787 5.079 1.00 0.00 H new ATOM 0 HA ARG A 32 5.041 2.254 7.577 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.132 0.634 6.063 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.286 1.214 7.710 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.241 -0.805 6.724 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.692 -1.174 7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.812 0.358 9.475 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.308 0.460 8.582 1.00 0.00 H new ATOM 0 HE ARG A 32 4.855 -2.293 8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.111 0.518 10.878 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.442 -0.456 12.191 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.020 -3.533 10.570 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.391 -2.738 12.017 1.00 0.00 H new ATOM 542 N ALA A 33 6.383 3.350 4.837 1.00 0.00 N ATOM 543 CA ALA A 33 7.133 4.437 4.226 1.00 0.00 C ATOM 544 C ALA A 33 6.426 5.760 4.443 1.00 0.00 C ATOM 545 O ALA A 33 5.199 5.821 4.470 1.00 0.00 O ATOM 546 CB ALA A 33 7.330 4.192 2.740 1.00 0.00 C ATOM 0 H ALA A 33 5.910 2.737 4.173 1.00 0.00 H new ATOM 0 HA ALA A 33 8.112 4.478 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.893 5.018 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.880 3.262 2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.358 4.119 2.251 1.00 0.00 H new ATOM 552 N THR A 34 7.201 6.815 4.585 1.00 0.00 N ATOM 553 CA THR A 34 6.642 8.127 4.841 1.00 0.00 C ATOM 554 C THR A 34 6.347 8.854 3.540 1.00 0.00 C ATOM 555 O THR A 34 5.400 9.636 3.451 1.00 0.00 O ATOM 556 CB THR A 34 7.592 8.971 5.709 1.00 0.00 C ATOM 557 OG1 THR A 34 8.895 9.035 5.108 1.00 0.00 O ATOM 558 CG2 THR A 34 7.706 8.377 7.101 1.00 0.00 C ATOM 0 H THR A 34 8.219 6.790 4.528 1.00 0.00 H new ATOM 0 HA THR A 34 5.707 7.987 5.383 1.00 0.00 H new ATOM 0 HB THR A 34 7.181 9.978 5.782 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.488 9.576 5.670 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.381 8.986 7.702 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.722 8.356 7.569 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.097 7.362 7.032 1.00 0.00 H new ATOM 566 N LYS A 35 7.148 8.576 2.528 1.00 0.00 N ATOM 567 CA LYS A 35 6.991 9.218 1.242 1.00 0.00 C ATOM 568 C LYS A 35 7.420 8.278 0.136 1.00 0.00 C ATOM 569 O LYS A 35 7.834 7.147 0.387 1.00 0.00 O ATOM 570 CB LYS A 35 7.818 10.506 1.181 1.00 0.00 C ATOM 571 CG LYS A 35 9.319 10.276 1.205 1.00 0.00 C ATOM 572 CD LYS A 35 10.076 11.565 1.463 1.00 0.00 C ATOM 573 CE LYS A 35 11.427 11.288 2.102 1.00 0.00 C ATOM 574 NZ LYS A 35 12.150 12.537 2.458 1.00 0.00 N ATOM 0 H LYS A 35 7.916 7.907 2.575 1.00 0.00 H new ATOM 0 HA LYS A 35 5.939 9.471 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.558 11.050 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.544 11.142 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.564 9.548 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.638 9.850 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.217 12.101 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.488 12.212 2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.285 10.685 2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.037 10.701 1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.065 12.297 2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.310 13.102 1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.582 13.087 3.133 1.00 0.00 H new ATOM 588 N CYS A 36 7.311 8.763 -1.081 1.00 0.00 N ATOM 589 CA CYS A 36 7.743 8.031 -2.252 1.00 0.00 C ATOM 590 C CYS A 36 9.236 7.760 -2.205 1.00 0.00 C ATOM 591 O CYS A 36 10.027 8.673 -1.989 1.00 0.00 O ATOM 592 CB CYS A 36 7.417 8.859 -3.469 1.00 0.00 C ATOM 593 SG CYS A 36 7.919 8.161 -5.064 1.00 0.00 S ATOM 0 H CYS A 36 6.918 9.681 -1.288 1.00 0.00 H new ATOM 0 HA CYS A 36 7.229 7.070 -2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.340 9.027 -3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.890 9.835 -3.357 1.00 0.00 H new ATOM 598 N ARG A 37 9.628 6.517 -2.419 1.00 0.00 N ATOM 599 CA ARG A 37 11.042 6.171 -2.426 1.00 0.00 C ATOM 600 C ARG A 37 11.643 6.352 -3.816 1.00 0.00 C ATOM 601 O ARG A 37 12.751 5.898 -4.089 1.00 0.00 O ATOM 602 CB ARG A 37 11.254 4.743 -1.910 1.00 0.00 C ATOM 603 CG ARG A 37 10.626 3.663 -2.777 1.00 0.00 C ATOM 604 CD ARG A 37 10.572 2.329 -2.047 1.00 0.00 C ATOM 605 NE ARG A 37 11.893 1.900 -1.583 1.00 0.00 N ATOM 606 CZ ARG A 37 12.135 1.444 -0.352 1.00 0.00 C ATOM 607 NH1 ARG A 37 11.158 1.412 0.548 1.00 0.00 N ATOM 608 NH2 ARG A 37 13.354 1.038 -0.017 1.00 0.00 N ATOM 0 H ARG A 37 8.995 5.735 -2.589 1.00 0.00 H new ATOM 0 HA ARG A 37 11.562 6.852 -1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.324 4.553 -1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.843 4.669 -0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.618 3.964 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.200 3.553 -3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.898 2.410 -1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.157 1.570 -2.710 1.00 0.00 H new ATOM 0 HE ARG A 37 12.673 1.953 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.224 1.736 0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.342 1.064 1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.110 1.074 -0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.535 0.690 0.925 1.00 0.00 H new ATOM 622 N ARG A 38 10.900 7.023 -4.688 1.00 0.00 N ATOM 623 CA ARG A 38 11.405 7.362 -6.013 1.00 0.00 C ATOM 624 C ARG A 38 11.652 8.860 -6.145 1.00 0.00 C ATOM 625 O ARG A 38 12.725 9.276 -6.573 1.00 0.00 O ATOM 626 CB ARG A 38 10.452 6.874 -7.106 1.00 0.00 C ATOM 627 CG ARG A 38 10.924 5.600 -7.784 1.00 0.00 C ATOM 628 CD ARG A 38 11.095 4.460 -6.794 1.00 0.00 C ATOM 629 NE ARG A 38 11.743 3.304 -7.410 1.00 0.00 N ATOM 630 CZ ARG A 38 11.291 2.055 -7.334 1.00 0.00 C ATOM 631 NH1 ARG A 38 10.178 1.786 -6.661 1.00 0.00 N ATOM 632 NH2 ARG A 38 11.954 1.075 -7.929 1.00 0.00 N ATOM 0 H ARG A 38 9.949 7.342 -4.503 1.00 0.00 H new ATOM 0 HA ARG A 38 12.360 6.852 -6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.467 6.703 -6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.338 7.657 -7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.206 5.310 -8.551 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.872 5.787 -8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.688 4.801 -5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.120 4.167 -6.405 1.00 0.00 H new ATOM 0 HE ARG A 38 12.602 3.466 -7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.666 2.538 -6.200 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.835 0.827 -6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.810 1.278 -8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.608 0.117 -7.871 1.00 0.00 H new ATOM 646 N CYS A 39 10.680 9.676 -5.759 1.00 0.00 N ATOM 647 CA CYS A 39 10.852 11.125 -5.866 1.00 0.00 C ATOM 648 C CYS A 39 10.792 11.795 -4.502 1.00 0.00 C ATOM 649 O CYS A 39 11.022 12.999 -4.392 1.00 0.00 O ATOM 650 CB CYS A 39 9.841 11.771 -6.837 1.00 0.00 C ATOM 651 SG CYS A 39 8.078 11.605 -6.387 1.00 0.00 S ATOM 0 H CYS A 39 9.784 9.373 -5.378 1.00 0.00 H new ATOM 0 HA CYS A 39 11.846 11.286 -6.283 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.075 12.832 -6.921 1.00 0.00 H new ATOM 0 HB3 CYS A 39 9.986 11.333 -7.825 1.00 0.00 H new ATOM 656 N HIS A 40 10.496 11.009 -3.458 1.00 0.00 N ATOM 657 CA HIS A 40 10.490 11.516 -2.095 1.00 0.00 C ATOM 658 C HIS A 40 9.487 12.645 -1.953 1.00 0.00 C ATOM 659 O HIS A 40 9.829 13.787 -1.652 1.00 0.00 O ATOM 660 CB HIS A 40 11.886 11.957 -1.660 1.00 0.00 C ATOM 661 CG HIS A 40 12.901 10.856 -1.726 1.00 0.00 C ATOM 662 ND1 HIS A 40 14.029 10.920 -2.512 1.00 0.00 N ATOM 663 CD2 HIS A 40 12.946 9.655 -1.105 1.00 0.00 C ATOM 664 CE1 HIS A 40 14.724 9.807 -2.372 1.00 0.00 C ATOM 665 NE2 HIS A 40 14.088 9.022 -1.523 1.00 0.00 N ATOM 0 H HIS A 40 10.259 10.020 -3.540 1.00 0.00 H new ATOM 0 HA HIS A 40 10.186 10.705 -1.433 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.213 12.782 -2.293 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.838 12.338 -0.640 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.217 9.267 -0.409 1.00 0.00 H new ATOM 0 HE1 HIS A 40 15.655 9.577 -2.868 1.00 0.00 H new ATOM 0 HE2 HIS A 40 14.396 8.096 -1.226 1.00 0.00 H new ATOM 674 N SER A 41 8.246 12.282 -2.177 1.00 0.00 N ATOM 675 CA SER A 41 7.133 13.188 -2.107 1.00 0.00 C ATOM 676 C SER A 41 6.038 12.470 -1.357 1.00 0.00 C ATOM 677 O SER A 41 5.732 11.315 -1.661 1.00 0.00 O ATOM 678 CB SER A 41 6.663 13.572 -3.516 1.00 0.00 C ATOM 679 OG SER A 41 7.694 14.226 -4.239 1.00 0.00 O ATOM 0 H SER A 41 7.980 11.327 -2.418 1.00 0.00 H new ATOM 0 HA SER A 41 7.411 14.112 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.349 12.678 -4.054 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.793 14.225 -3.447 1.00 0.00 H new ATOM 0 HG SER A 41 8.004 13.645 -4.964 1.00 0.00 H new ATOM 685 N THR A 42 5.481 13.118 -0.362 1.00 0.00 N ATOM 686 CA THR A 42 4.512 12.479 0.498 1.00 0.00 C ATOM 687 C THR A 42 3.114 12.551 -0.103 1.00 0.00 C ATOM 688 O THR A 42 2.108 12.460 0.597 1.00 0.00 O ATOM 689 CB THR A 42 4.550 13.123 1.889 1.00 0.00 C ATOM 690 OG1 THR A 42 4.365 14.541 1.773 1.00 0.00 O ATOM 691 CG2 THR A 42 5.889 12.830 2.549 1.00 0.00 C ATOM 0 H THR A 42 5.682 14.090 -0.127 1.00 0.00 H new ATOM 0 HA THR A 42 4.770 11.424 0.594 1.00 0.00 H new ATOM 0 HB THR A 42 3.749 12.708 2.500 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.388 14.948 2.664 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.915 13.288 3.538 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.019 11.752 2.645 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.693 13.240 1.938 1.00 0.00 H new ATOM 699 N ASN A 43 3.073 12.669 -1.424 1.00 0.00 N ATOM 700 CA ASN A 43 1.822 12.721 -2.159 1.00 0.00 C ATOM 701 C ASN A 43 1.456 11.333 -2.643 1.00 0.00 C ATOM 702 O ASN A 43 1.369 11.069 -3.846 1.00 0.00 O ATOM 703 CB ASN A 43 1.926 13.675 -3.345 1.00 0.00 C ATOM 704 CG ASN A 43 1.572 15.105 -2.980 1.00 0.00 C ATOM 705 OD1 ASN A 43 0.416 15.510 -3.080 1.00 0.00 O ATOM 706 ND2 ASN A 43 2.560 15.884 -2.565 1.00 0.00 N ATOM 0 H ASN A 43 3.904 12.731 -2.012 1.00 0.00 H new ATOM 0 HA ASN A 43 1.044 13.090 -1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.941 13.646 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.264 13.333 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.373 16.855 -2.316 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.507 15.512 -2.495 1.00 0.00 H new ATOM 713 N LEU A 44 1.281 10.443 -1.691 1.00 0.00 N ATOM 714 CA LEU A 44 0.891 9.082 -1.980 1.00 0.00 C ATOM 715 C LEU A 44 -0.585 8.909 -1.671 1.00 0.00 C ATOM 716 O LEU A 44 -1.153 9.675 -0.894 1.00 0.00 O ATOM 717 CB LEU A 44 1.712 8.117 -1.129 1.00 0.00 C ATOM 718 CG LEU A 44 3.177 8.513 -0.929 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.842 7.593 0.082 1.00 0.00 C ATOM 720 CD2 LEU A 44 3.932 8.489 -2.247 1.00 0.00 C ATOM 0 H LEU A 44 1.405 10.642 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 44 1.071 8.868 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.239 8.027 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.678 7.130 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 44 3.203 9.532 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.883 7.888 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.322 7.665 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.799 6.565 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.970 8.774 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.896 7.485 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.472 9.191 -2.943 1.00 0.00 H new ATOM 732 N ARG A 45 -1.207 7.925 -2.282 1.00 0.00 N ATOM 733 CA ARG A 45 -2.590 7.608 -1.974 1.00 0.00 C ATOM 734 C ARG A 45 -2.755 6.111 -1.787 1.00 0.00 C ATOM 735 O ARG A 45 -2.416 5.325 -2.670 1.00 0.00 O ATOM 736 CB ARG A 45 -3.545 8.122 -3.058 1.00 0.00 C ATOM 737 CG ARG A 45 -3.215 7.652 -4.464 1.00 0.00 C ATOM 738 CD ARG A 45 -2.432 8.702 -5.236 1.00 0.00 C ATOM 739 NE ARG A 45 -2.264 8.339 -6.641 1.00 0.00 N ATOM 740 CZ ARG A 45 -3.093 8.727 -7.609 1.00 0.00 C ATOM 741 NH1 ARG A 45 -4.174 9.446 -7.317 1.00 0.00 N ATOM 742 NH2 ARG A 45 -2.849 8.390 -8.868 1.00 0.00 N ATOM 0 H ARG A 45 -0.782 7.330 -2.993 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.848 8.114 -1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.558 7.805 -2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.539 9.212 -3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.636 6.730 -4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.137 7.421 -4.997 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.947 9.660 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.452 8.834 -4.776 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.467 7.756 -6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.370 9.702 -6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.806 9.741 -8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.026 7.833 -9.096 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.485 8.688 -9.608 1.00 0.00 H new ATOM 756 N LEU A 46 -3.232 5.719 -0.620 1.00 0.00 N ATOM 757 CA LEU A 46 -3.473 4.316 -0.342 1.00 0.00 C ATOM 758 C LEU A 46 -4.810 3.917 -0.949 1.00 0.00 C ATOM 759 O LEU A 46 -5.830 4.558 -0.686 1.00 0.00 O ATOM 760 CB LEU A 46 -3.443 4.062 1.171 1.00 0.00 C ATOM 761 CG LEU A 46 -3.239 2.603 1.585 1.00 0.00 C ATOM 762 CD1 LEU A 46 -2.524 2.527 2.921 1.00 0.00 C ATOM 763 CD2 LEU A 46 -4.570 1.869 1.660 1.00 0.00 C ATOM 0 H LEU A 46 -3.459 6.350 0.148 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.689 3.705 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.644 4.661 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.380 4.417 1.601 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.622 2.119 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.387 1.483 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.551 3.012 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.120 3.031 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.399 0.834 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.213 2.355 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.053 1.892 0.683 1.00 0.00 H new ATOM 775 N LYS A 47 -4.790 2.877 -1.775 1.00 0.00 N ATOM 776 CA LYS A 47 -5.972 2.473 -2.526 1.00 0.00 C ATOM 777 C LYS A 47 -7.138 2.156 -1.597 1.00 0.00 C ATOM 778 O LYS A 47 -6.997 1.405 -0.629 1.00 0.00 O ATOM 779 CB LYS A 47 -5.650 1.287 -3.433 1.00 0.00 C ATOM 780 CG LYS A 47 -4.578 1.606 -4.464 1.00 0.00 C ATOM 781 CD LYS A 47 -4.434 0.505 -5.501 1.00 0.00 C ATOM 782 CE LYS A 47 -3.409 0.882 -6.560 1.00 0.00 C ATOM 783 NZ LYS A 47 -3.360 -0.101 -7.675 1.00 0.00 N ATOM 0 H LYS A 47 -3.967 2.298 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.276 3.310 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.321 0.447 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.558 0.971 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.824 2.543 -4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.623 1.755 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.133 -0.422 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.398 0.318 -5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.648 1.868 -6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.424 0.954 -6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.648 0.199 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.106 -1.038 -7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.292 -0.152 -8.134 1.00 0.00 H new ATOM 797 N LYS A 48 -8.283 2.747 -1.916 1.00 0.00 N ATOM 798 CA LYS A 48 -9.467 2.707 -1.063 1.00 0.00 C ATOM 799 C LYS A 48 -9.901 1.281 -0.741 1.00 0.00 C ATOM 800 O LYS A 48 -9.967 0.424 -1.622 1.00 0.00 O ATOM 801 CB LYS A 48 -10.617 3.442 -1.755 1.00 0.00 C ATOM 802 CG LYS A 48 -11.818 3.699 -0.862 1.00 0.00 C ATOM 803 CD LYS A 48 -11.577 4.878 0.066 1.00 0.00 C ATOM 804 CE LYS A 48 -11.698 6.213 -0.664 1.00 0.00 C ATOM 805 NZ LYS A 48 -10.595 6.445 -1.637 1.00 0.00 N ATOM 0 H LYS A 48 -8.418 3.272 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.210 3.194 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.249 4.396 -2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.938 2.860 -2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.696 3.892 -1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.032 2.808 -0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.294 4.847 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.584 4.795 0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.652 6.248 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.706 7.021 0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.401 7.464 -1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.738 5.951 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.874 6.082 -2.571 1.00 0.00 H new ATOM 819 N LYS A 49 -10.190 1.037 0.526 1.00 0.00 N ATOM 820 CA LYS A 49 -10.769 -0.227 0.941 1.00 0.00 C ATOM 821 C LYS A 49 -12.282 -0.112 0.990 1.00 0.00 C ATOM 822 O LYS A 49 -12.853 0.431 1.937 1.00 0.00 O ATOM 823 CB LYS A 49 -10.208 -0.671 2.294 1.00 0.00 C ATOM 824 CG LYS A 49 -8.806 -1.272 2.220 1.00 0.00 C ATOM 825 CD LYS A 49 -8.780 -2.522 1.350 1.00 0.00 C ATOM 826 CE LYS A 49 -8.442 -2.204 -0.101 1.00 0.00 C ATOM 827 NZ LYS A 49 -8.859 -3.295 -1.022 1.00 0.00 N ATOM 0 H LYS A 49 -10.032 1.700 1.285 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.501 -0.989 0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.189 0.186 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.884 -1.405 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.113 -0.533 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.461 -1.519 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.047 -3.224 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.751 -3.015 1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.933 -1.276 -0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.369 -2.040 -0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.611 -3.039 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.371 -4.175 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.887 -3.435 -0.951 1.00 0.00 H new ATOM 841 N GLU A 50 -12.917 -0.596 -0.063 1.00 0.00 N ATOM 842 CA GLU A 50 -14.361 -0.542 -0.185 1.00 0.00 C ATOM 843 C GLU A 50 -14.982 -1.833 0.314 1.00 0.00 C ATOM 844 O GLU A 50 -14.418 -2.913 0.127 1.00 0.00 O ATOM 845 CB GLU A 50 -14.755 -0.301 -1.640 1.00 0.00 C ATOM 846 CG GLU A 50 -14.298 1.044 -2.173 1.00 0.00 C ATOM 847 CD GLU A 50 -14.520 1.183 -3.662 1.00 0.00 C ATOM 848 OE1 GLU A 50 -15.659 1.482 -4.077 1.00 0.00 O ATOM 849 OE2 GLU A 50 -13.550 0.993 -4.428 1.00 0.00 O ATOM 0 H GLU A 50 -12.447 -1.036 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.731 0.282 0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.331 -1.092 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.839 -0.371 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.834 1.838 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.239 1.177 -1.953 1.00 0.00 H new ATOM 856 N LEU A 51 -16.129 -1.713 0.959 1.00 0.00 N ATOM 857 CA LEU A 51 -16.845 -2.875 1.463 1.00 0.00 C ATOM 858 C LEU A 51 -18.309 -2.800 1.068 1.00 0.00 C ATOM 859 O LEU A 51 -18.842 -1.712 0.831 1.00 0.00 O ATOM 860 CB LEU A 51 -16.749 -2.993 2.990 1.00 0.00 C ATOM 861 CG LEU A 51 -15.342 -3.141 3.576 1.00 0.00 C ATOM 862 CD1 LEU A 51 -14.689 -1.780 3.771 1.00 0.00 C ATOM 863 CD2 LEU A 51 -15.405 -3.904 4.888 1.00 0.00 C ATOM 0 H LEU A 51 -16.587 -0.821 1.147 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.378 -3.754 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -17.211 -2.109 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.342 -3.852 3.304 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.729 -3.705 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.691 -1.912 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.616 -1.270 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.292 -1.182 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.400 -4.005 5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -16.033 -3.361 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.827 -4.894 4.713 1.00 0.00 H new ATOM 875 N PRO A 52 -18.975 -3.958 0.986 1.00 0.00 N ATOM 876 CA PRO A 52 -20.403 -4.030 0.717 1.00 0.00 C ATOM 877 C PRO A 52 -21.211 -3.616 1.939 1.00 0.00 C ATOM 878 O PRO A 52 -20.881 -3.999 3.064 1.00 0.00 O ATOM 879 CB PRO A 52 -20.657 -5.510 0.387 1.00 0.00 C ATOM 880 CG PRO A 52 -19.315 -6.174 0.378 1.00 0.00 C ATOM 881 CD PRO A 52 -18.386 -5.288 1.157 1.00 0.00 C ATOM 0 HA PRO A 52 -20.701 -3.361 -0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.312 -5.967 1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -21.149 -5.614 -0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.371 -7.165 0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.957 -6.307 -0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -18.340 -5.576 2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.368 -5.331 0.769 1.00 0.00 H new ATOM 889 N THR A 53 -22.250 -2.824 1.721 1.00 0.00 N ATOM 890 CA THR A 53 -23.091 -2.356 2.811 1.00 0.00 C ATOM 891 C THR A 53 -23.727 -3.530 3.555 1.00 0.00 C ATOM 892 O THR A 53 -24.490 -4.311 2.979 1.00 0.00 O ATOM 893 CB THR A 53 -24.188 -1.409 2.296 1.00 0.00 C ATOM 894 OG1 THR A 53 -23.592 -0.358 1.521 1.00 0.00 O ATOM 895 CG2 THR A 53 -24.968 -0.804 3.452 1.00 0.00 C ATOM 0 H THR A 53 -22.531 -2.492 0.798 1.00 0.00 H new ATOM 0 HA THR A 53 -22.453 -1.807 3.503 1.00 0.00 H new ATOM 0 HB THR A 53 -24.876 -1.984 1.675 1.00 0.00 H new ATOM 0 HG1 THR A 53 -24.292 0.243 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 53 -25.738 -0.138 3.062 1.00 0.00 H new ATOM 0 HG22 THR A 53 -25.436 -1.600 4.031 1.00 0.00 H new ATOM 0 HG23 THR A 53 -24.290 -0.240 4.092 1.00 0.00 H new ATOM 903 N LYS A 54 -23.386 -3.651 4.832 1.00 0.00 N ATOM 904 CA LYS A 54 -23.854 -4.757 5.656 1.00 0.00 C ATOM 905 C LYS A 54 -25.350 -4.630 5.938 1.00 0.00 C ATOM 906 O LYS A 54 -26.094 -5.607 5.849 1.00 0.00 O ATOM 907 CB LYS A 54 -23.069 -4.800 6.970 1.00 0.00 C ATOM 908 CG LYS A 54 -23.365 -6.021 7.826 1.00 0.00 C ATOM 909 CD LYS A 54 -22.568 -5.994 9.123 1.00 0.00 C ATOM 910 CE LYS A 54 -22.802 -7.248 9.954 1.00 0.00 C ATOM 911 NZ LYS A 54 -22.050 -7.214 11.238 1.00 0.00 N ATOM 0 H LYS A 54 -22.782 -2.991 5.322 1.00 0.00 H new ATOM 0 HA LYS A 54 -23.688 -5.687 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -22.003 -4.776 6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -23.294 -3.902 7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -24.431 -6.059 8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.125 -6.926 7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -21.506 -5.901 8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -22.848 -5.115 9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -23.867 -7.353 10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -22.501 -8.125 9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -22.237 -8.086 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -21.031 -7.140 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -22.355 -6.392 11.798 1.00 0.00 H new ATOM 925 N LYS A 55 -25.782 -3.424 6.276 1.00 0.00 N ATOM 926 CA LYS A 55 -27.185 -3.175 6.565 1.00 0.00 C ATOM 927 C LYS A 55 -27.920 -2.788 5.285 1.00 0.00 C ATOM 928 O LYS A 55 -27.663 -1.733 4.702 1.00 0.00 O ATOM 929 CB LYS A 55 -27.321 -2.071 7.633 1.00 0.00 C ATOM 930 CG LYS A 55 -28.732 -1.893 8.193 1.00 0.00 C ATOM 931 CD LYS A 55 -29.650 -1.181 7.211 1.00 0.00 C ATOM 932 CE LYS A 55 -31.081 -1.126 7.708 1.00 0.00 C ATOM 933 NZ LYS A 55 -32.006 -0.625 6.657 1.00 0.00 N ATOM 0 H LYS A 55 -25.181 -2.604 6.357 1.00 0.00 H new ATOM 0 HA LYS A 55 -27.636 -4.086 6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -26.644 -2.296 8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -26.994 -1.125 7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -29.151 -2.869 8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -28.684 -1.325 9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -29.285 -0.168 7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -29.620 -1.694 6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -31.395 -2.120 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -31.138 -0.478 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -32.907 -0.344 7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -31.580 0.196 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -32.179 -1.377 5.960 1.00 0.00 H new ATOM 947 N GLY A 56 -28.828 -3.644 4.853 1.00 0.00 N ATOM 948 CA GLY A 56 -29.646 -3.339 3.701 1.00 0.00 C ATOM 949 C GLY A 56 -31.007 -2.825 4.117 1.00 0.00 C ATOM 950 O GLY A 56 -31.496 -3.243 5.189 1.00 0.00 O ATOM 951 OXT GLY A 56 -31.581 -1.986 3.398 1.00 0.00 O ATOM 0 H GLY A 56 -29.015 -4.550 5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -29.146 -2.593 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -29.764 -4.233 3.088 1.00 0.00 H new TER 955 GLY A 56 HETATM 956 ZN ZN A 57 7.163 9.514 -6.763 1.00 0.00 ZN