USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 SER OG : rot 27:sc= 1.22 USER MOD Set 1.2: A 91 LYS NZ :NH3+ -170:sc= 1.09 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 1.04 USER MOD Set 2.2: A 10 SER OG : rot 90:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 1.83 (180deg=1.8) USER MOD Single : A 5 LYS NZ :NH3+ -109:sc= 0.622 (180deg=-0.339) USER MOD Single : A 9 GLN : amide:sc= 0.98 K(o=0.98,f=-0.11) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -85:sc= 1.26 USER MOD Single : A 16 SER OG : rot 70:sc= 1.29 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.94 (180deg=1.43) USER MOD Single : A 34 MET CE :methyl -168:sc= -0.0757 (180deg=-0.311) USER MOD Single : A 44 GLN : amide:sc= -0.077 X(o=-0.077,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.23) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 3.66 (180deg=3.43) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 1.46 K(o=1.5,f=-3.1!) USER MOD Single : A 61 GLN : amide:sc= -1.14! C(o=-1.1!,f=-3!) USER MOD Single : A 63 THR OG1 : rot -41:sc= 1.22 USER MOD Single : A 66 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0.862) USER MOD Single : A 67 TYR OH : rot -113:sc= 0.787 USER MOD Single : A 70 MET CE :methyl 173:sc= 0 (180deg=-0.0387) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 105:sc= 1.2 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0388 USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= 1.34 (180deg=1.27) USER MOD Single : A 97 GLN : amide:sc= 0.745 K(o=0.74,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.37) USER MOD Single : A 102 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.13) USER MOD Single : A 103 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.414 -1.666 1.261 1.00 0.00 N ATOM 2 CA MET A 1 0.277 -0.241 0.887 1.00 0.00 C ATOM 3 C MET A 1 1.528 0.221 0.119 1.00 0.00 C ATOM 4 O MET A 1 1.571 0.045 -1.100 1.00 0.00 O ATOM 5 CB MET A 1 -0.129 0.634 2.099 1.00 0.00 C ATOM 6 CG MET A 1 -0.862 1.922 1.688 1.00 0.00 C ATOM 7 SD MET A 1 0.099 3.205 0.834 1.00 0.00 S ATOM 8 CE MET A 1 1.061 3.874 2.218 1.00 0.00 C ATOM 0 H1 MET A 1 -0.385 -1.945 1.865 1.00 0.00 H new ATOM 0 H2 MET A 1 0.419 -2.252 0.402 1.00 0.00 H new ATOM 0 H3 MET A 1 1.305 -1.805 1.779 1.00 0.00 H new ATOM 0 HA MET A 1 -0.555 -0.114 0.194 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.770 0.053 2.762 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.764 0.895 2.667 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.695 1.642 1.043 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.290 2.366 2.587 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.706 4.676 1.859 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.383 4.265 2.977 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.673 3.083 2.652 1.00 0.00 H new ATOM 20 N ALA A 2 2.539 0.801 0.785 1.00 0.00 N ATOM 21 CA ALA A 2 3.770 1.317 0.185 1.00 0.00 C ATOM 22 C ALA A 2 4.810 1.511 1.302 1.00 0.00 C ATOM 23 O ALA A 2 4.548 1.155 2.457 1.00 0.00 O ATOM 24 CB ALA A 2 3.487 2.662 -0.507 1.00 0.00 C ATOM 0 H ALA A 2 2.516 0.926 1.797 1.00 0.00 H new ATOM 0 HA ALA A 2 4.148 0.615 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.406 3.043 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.738 2.520 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.116 3.378 0.227 1.00 0.00 H new ATOM 30 N ILE A 3 5.967 2.100 0.986 1.00 0.00 N ATOM 31 CA ILE A 3 6.897 2.584 2.004 1.00 0.00 C ATOM 32 C ILE A 3 6.302 3.880 2.575 1.00 0.00 C ATOM 33 O ILE A 3 5.676 4.664 1.854 1.00 0.00 O ATOM 34 CB ILE A 3 8.296 2.809 1.387 1.00 0.00 C ATOM 35 CG1 ILE A 3 8.893 1.485 0.854 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.297 3.420 2.387 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.589 1.701 -0.485 1.00 0.00 C ATOM 0 H ILE A 3 6.281 2.253 0.028 1.00 0.00 H new ATOM 0 HA ILE A 3 7.028 1.856 2.805 1.00 0.00 H new ATOM 0 HB ILE A 3 8.145 3.513 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.604 1.085 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.102 0.744 0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.262 3.556 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.925 4.385 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.413 2.752 3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.000 0.755 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.870 2.078 -1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.395 2.424 -0.363 1.00 0.00 H new ATOM 49 N VAL A 4 6.529 4.117 3.864 1.00 0.00 N ATOM 50 CA VAL A 4 6.017 5.234 4.645 1.00 0.00 C ATOM 51 C VAL A 4 7.169 5.716 5.542 1.00 0.00 C ATOM 52 O VAL A 4 8.158 5.006 5.746 1.00 0.00 O ATOM 53 CB VAL A 4 4.767 4.773 5.446 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.027 5.933 6.135 1.00 0.00 C ATOM 55 CG2 VAL A 4 3.732 4.048 4.566 1.00 0.00 C ATOM 0 H VAL A 4 7.112 3.494 4.424 1.00 0.00 H new ATOM 0 HA VAL A 4 5.688 6.066 4.022 1.00 0.00 H new ATOM 0 HB VAL A 4 5.176 4.094 6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.165 5.544 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.700 6.430 6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.691 6.648 5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.881 3.749 5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.393 4.718 3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.188 3.164 4.121 1.00 0.00 H new ATOM 65 N LYS A 5 7.036 6.921 6.096 1.00 0.00 N ATOM 66 CA LYS A 5 7.971 7.549 7.025 1.00 0.00 C ATOM 67 C LYS A 5 7.146 7.918 8.250 1.00 0.00 C ATOM 68 O LYS A 5 6.024 8.411 8.114 1.00 0.00 O ATOM 69 CB LYS A 5 8.584 8.773 6.330 1.00 0.00 C ATOM 70 CG LYS A 5 9.416 9.756 7.170 1.00 0.00 C ATOM 71 CD LYS A 5 10.785 9.228 7.640 1.00 0.00 C ATOM 72 CE LYS A 5 10.859 8.977 9.154 1.00 0.00 C ATOM 73 NZ LYS A 5 10.624 10.203 9.966 1.00 0.00 N ATOM 0 H LYS A 5 6.231 7.515 5.898 1.00 0.00 H new ATOM 0 HA LYS A 5 8.798 6.905 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.217 8.411 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.771 9.335 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.576 10.662 6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.835 10.041 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.007 8.299 7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.557 9.945 7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.122 8.222 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.839 8.569 9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.516 10.502 10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.270 10.964 9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.922 10.000 10.706 1.00 0.00 H new ATOM 87 N ALA A 6 7.697 7.655 9.429 1.00 0.00 N ATOM 88 CA ALA A 6 6.973 7.734 10.697 1.00 0.00 C ATOM 89 C ALA A 6 7.831 8.313 11.826 1.00 0.00 C ATOM 90 O ALA A 6 9.027 8.567 11.661 1.00 0.00 O ATOM 91 CB ALA A 6 6.464 6.329 11.063 1.00 0.00 C ATOM 0 H ALA A 6 8.673 7.377 9.535 1.00 0.00 H new ATOM 0 HA ALA A 6 6.133 8.417 10.572 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.922 6.373 12.007 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.799 5.967 10.279 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.311 5.650 11.162 1.00 0.00 H new ATOM 97 N THR A 7 7.196 8.480 12.981 1.00 0.00 N ATOM 98 CA THR A 7 7.760 8.912 14.251 1.00 0.00 C ATOM 99 C THR A 7 7.307 7.929 15.324 1.00 0.00 C ATOM 100 O THR A 7 6.424 7.112 15.063 1.00 0.00 O ATOM 101 CB THR A 7 7.227 10.307 14.611 1.00 0.00 C ATOM 102 OG1 THR A 7 5.819 10.371 14.416 1.00 0.00 O ATOM 103 CG2 THR A 7 7.894 11.400 13.774 1.00 0.00 C ATOM 0 H THR A 7 6.195 8.302 13.057 1.00 0.00 H new ATOM 0 HA THR A 7 8.847 8.948 14.182 1.00 0.00 H new ATOM 0 HB THR A 7 7.463 10.477 15.661 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.496 11.266 14.652 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.491 12.372 14.057 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.970 11.388 13.950 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.697 11.220 12.717 1.00 0.00 H new ATOM 111 N ASP A 8 7.827 8.059 16.546 1.00 0.00 N ATOM 112 CA ASP A 8 7.466 7.232 17.694 1.00 0.00 C ATOM 113 C ASP A 8 5.958 7.042 17.859 1.00 0.00 C ATOM 114 O ASP A 8 5.505 5.945 18.191 1.00 0.00 O ATOM 115 CB ASP A 8 8.010 7.852 18.988 1.00 0.00 C ATOM 116 CG ASP A 8 7.645 6.965 20.187 1.00 0.00 C ATOM 117 OD1 ASP A 8 8.224 5.859 20.313 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.768 7.373 20.980 1.00 0.00 O ATOM 0 H ASP A 8 8.531 8.763 16.768 1.00 0.00 H new ATOM 0 HA ASP A 8 7.910 6.255 17.503 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.092 7.961 18.922 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.596 8.851 19.125 1.00 0.00 H new ATOM 123 N GLN A 9 5.184 8.108 17.623 1.00 0.00 N ATOM 124 CA GLN A 9 3.749 8.107 17.848 1.00 0.00 C ATOM 125 C GLN A 9 2.980 7.670 16.599 1.00 0.00 C ATOM 126 O GLN A 9 2.002 6.930 16.714 1.00 0.00 O ATOM 127 CB GLN A 9 3.303 9.487 18.355 1.00 0.00 C ATOM 128 CG GLN A 9 3.873 9.802 19.751 1.00 0.00 C ATOM 129 CD GLN A 9 3.281 8.904 20.843 1.00 0.00 C ATOM 130 OE1 GLN A 9 2.103 9.008 21.179 1.00 0.00 O ATOM 131 NE2 GLN A 9 4.058 8.005 21.426 1.00 0.00 N ATOM 0 H GLN A 9 5.545 8.994 17.270 1.00 0.00 H new ATOM 0 HA GLN A 9 3.515 7.371 18.617 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.626 10.254 17.650 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.214 9.525 18.391 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.956 9.681 19.733 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.673 10.845 19.995 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.035 7.918 21.148 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.679 7.399 22.154 1.00 0.00 H new ATOM 140 N SER A 10 3.430 8.076 15.407 1.00 0.00 N ATOM 141 CA SER A 10 2.801 7.667 14.149 1.00 0.00 C ATOM 142 C SER A 10 3.004 6.167 13.897 1.00 0.00 C ATOM 143 O SER A 10 2.122 5.502 13.353 1.00 0.00 O ATOM 144 CB SER A 10 3.369 8.479 12.977 1.00 0.00 C ATOM 145 OG SER A 10 3.371 9.870 13.250 1.00 0.00 O ATOM 0 H SER A 10 4.234 8.692 15.288 1.00 0.00 H new ATOM 0 HA SER A 10 1.731 7.861 14.228 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.386 8.149 12.766 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.779 8.286 12.081 1.00 0.00 H new ATOM 0 HG SER A 10 4.220 10.119 13.671 1.00 0.00 H new ATOM 151 N PHE A 11 4.150 5.630 14.324 1.00 0.00 N ATOM 152 CA PHE A 11 4.574 4.251 14.136 1.00 0.00 C ATOM 153 C PHE A 11 3.487 3.275 14.573 1.00 0.00 C ATOM 154 O PHE A 11 3.178 2.345 13.833 1.00 0.00 O ATOM 155 CB PHE A 11 5.876 4.058 14.929 1.00 0.00 C ATOM 156 CG PHE A 11 6.447 2.660 14.981 1.00 0.00 C ATOM 157 CD1 PHE A 11 5.967 1.733 15.926 1.00 0.00 C ATOM 158 CD2 PHE A 11 7.529 2.316 14.149 1.00 0.00 C ATOM 159 CE1 PHE A 11 6.566 0.468 16.037 1.00 0.00 C ATOM 160 CE2 PHE A 11 8.140 1.060 14.280 1.00 0.00 C ATOM 161 CZ PHE A 11 7.664 0.136 15.226 1.00 0.00 C ATOM 0 H PHE A 11 4.840 6.180 14.837 1.00 0.00 H new ATOM 0 HA PHE A 11 4.752 4.045 13.081 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.633 4.717 14.504 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.702 4.391 15.952 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.137 1.995 16.566 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.888 3.018 13.411 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.182 -0.250 16.746 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.979 0.802 13.651 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.141 -0.827 15.329 1.00 0.00 H new ATOM 171 N SER A 12 2.872 3.484 15.738 1.00 0.00 N ATOM 172 CA SER A 12 1.887 2.555 16.272 1.00 0.00 C ATOM 173 C SER A 12 0.639 2.478 15.390 1.00 0.00 C ATOM 174 O SER A 12 0.093 1.393 15.182 1.00 0.00 O ATOM 175 CB SER A 12 1.535 2.963 17.707 1.00 0.00 C ATOM 176 OG SER A 12 2.717 3.195 18.461 1.00 0.00 O ATOM 0 H SER A 12 3.044 4.296 16.330 1.00 0.00 H new ATOM 0 HA SER A 12 2.319 1.554 16.280 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.921 3.864 17.695 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.943 2.179 18.180 1.00 0.00 H new ATOM 0 HG SER A 12 2.476 3.456 19.374 1.00 0.00 H new ATOM 182 N ALA A 13 0.207 3.609 14.827 1.00 0.00 N ATOM 183 CA ALA A 13 -0.909 3.635 13.899 1.00 0.00 C ATOM 184 C ALA A 13 -0.519 2.939 12.598 1.00 0.00 C ATOM 185 O ALA A 13 -1.270 2.105 12.089 1.00 0.00 O ATOM 186 CB ALA A 13 -1.356 5.079 13.644 1.00 0.00 C ATOM 0 H ALA A 13 0.623 4.523 15.005 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.751 3.097 14.335 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.193 5.083 12.946 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.665 5.536 14.584 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.528 5.647 13.220 1.00 0.00 H new ATOM 192 N GLU A 14 0.669 3.251 12.078 1.00 0.00 N ATOM 193 CA GLU A 14 1.129 2.718 10.805 1.00 0.00 C ATOM 194 C GLU A 14 1.303 1.200 10.870 1.00 0.00 C ATOM 195 O GLU A 14 0.980 0.511 9.901 1.00 0.00 O ATOM 196 CB GLU A 14 2.438 3.396 10.354 1.00 0.00 C ATOM 197 CG GLU A 14 2.262 4.858 9.907 1.00 0.00 C ATOM 198 CD GLU A 14 1.250 5.050 8.759 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.017 4.099 7.978 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.679 6.158 8.640 1.00 0.00 O ATOM 0 H GLU A 14 1.334 3.879 12.530 1.00 0.00 H new ATOM 0 HA GLU A 14 0.362 2.939 10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.155 3.361 11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.867 2.824 9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.941 5.452 10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.230 5.249 9.593 1.00 0.00 H new ATOM 207 N THR A 15 1.764 0.667 12.002 1.00 0.00 N ATOM 208 CA THR A 15 2.043 -0.747 12.181 1.00 0.00 C ATOM 209 C THR A 15 0.789 -1.571 12.488 1.00 0.00 C ATOM 210 O THR A 15 0.869 -2.800 12.530 1.00 0.00 O ATOM 211 CB THR A 15 3.162 -0.922 13.220 1.00 0.00 C ATOM 212 OG1 THR A 15 2.882 -0.243 14.423 1.00 0.00 O ATOM 213 CG2 THR A 15 4.503 -0.410 12.672 1.00 0.00 C ATOM 0 H THR A 15 1.956 1.224 12.835 1.00 0.00 H new ATOM 0 HA THR A 15 2.399 -1.152 11.234 1.00 0.00 H new ATOM 0 HB THR A 15 3.224 -1.991 13.426 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.169 0.691 14.346 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.279 -0.545 13.425 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.767 -0.970 11.775 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.415 0.648 12.426 1.00 0.00 H new ATOM 221 N SER A 16 -0.374 -0.931 12.641 1.00 0.00 N ATOM 222 CA SER A 16 -1.628 -1.592 12.976 1.00 0.00 C ATOM 223 C SER A 16 -2.450 -1.922 11.722 1.00 0.00 C ATOM 224 O SER A 16 -3.679 -1.977 11.772 1.00 0.00 O ATOM 225 CB SER A 16 -2.395 -0.748 14.004 1.00 0.00 C ATOM 226 OG SER A 16 -1.658 -0.628 15.208 1.00 0.00 O ATOM 0 H SER A 16 -0.467 0.079 12.532 1.00 0.00 H new ATOM 0 HA SER A 16 -1.415 -2.556 13.437 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.593 0.242 13.593 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.362 -1.207 14.209 1.00 0.00 H new ATOM 0 HG SER A 16 -0.875 -0.059 15.057 1.00 0.00 H new ATOM 232 N GLU A 17 -1.775 -2.140 10.589 1.00 0.00 N ATOM 233 CA GLU A 17 -2.395 -2.418 9.296 1.00 0.00 C ATOM 234 C GLU A 17 -1.693 -3.601 8.614 1.00 0.00 C ATOM 235 O GLU A 17 -1.031 -3.447 7.584 1.00 0.00 O ATOM 236 CB GLU A 17 -2.449 -1.150 8.421 1.00 0.00 C ATOM 237 CG GLU A 17 -3.353 -0.056 9.011 1.00 0.00 C ATOM 238 CD GLU A 17 -3.641 1.060 7.994 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.681 1.694 7.500 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.828 1.320 7.688 1.00 0.00 O ATOM 0 H GLU A 17 -0.756 -2.127 10.548 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.432 -2.715 9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.440 -0.755 8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.809 -1.415 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.293 -0.500 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.877 0.371 9.894 1.00 0.00 H new ATOM 247 N GLY A 18 -1.830 -4.793 9.203 1.00 0.00 N ATOM 248 CA GLY A 18 -1.335 -6.038 8.628 1.00 0.00 C ATOM 249 C GLY A 18 0.106 -6.280 9.050 1.00 0.00 C ATOM 250 O GLY A 18 0.537 -5.793 10.098 1.00 0.00 O ATOM 0 H GLY A 18 -2.294 -4.917 10.103 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.960 -6.870 8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.400 -5.995 7.541 1.00 0.00 H new ATOM 254 N VAL A 19 0.835 -7.070 8.261 1.00 0.00 N ATOM 255 CA VAL A 19 2.281 -7.200 8.410 1.00 0.00 C ATOM 256 C VAL A 19 2.897 -5.886 7.929 1.00 0.00 C ATOM 257 O VAL A 19 2.569 -5.391 6.845 1.00 0.00 O ATOM 258 CB VAL A 19 2.833 -8.414 7.628 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.364 -8.534 7.754 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.211 -9.722 8.145 1.00 0.00 C ATOM 0 H VAL A 19 0.442 -7.633 7.507 1.00 0.00 H new ATOM 0 HA VAL A 19 2.542 -7.384 9.452 1.00 0.00 H new ATOM 0 HB VAL A 19 2.570 -8.252 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.709 -9.400 7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.833 -7.633 7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.634 -8.654 8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.613 -10.564 7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.450 -9.846 9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.129 -9.685 8.019 1.00 0.00 H new ATOM 270 N VAL A 20 3.819 -5.345 8.717 1.00 0.00 N ATOM 271 CA VAL A 20 4.529 -4.109 8.446 1.00 0.00 C ATOM 272 C VAL A 20 5.991 -4.379 8.795 1.00 0.00 C ATOM 273 O VAL A 20 6.277 -5.147 9.714 1.00 0.00 O ATOM 274 CB VAL A 20 3.902 -2.962 9.273 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.565 -1.608 8.968 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.386 -2.846 8.997 1.00 0.00 C ATOM 0 H VAL A 20 4.101 -5.776 9.597 1.00 0.00 H new ATOM 0 HA VAL A 20 4.460 -3.794 7.405 1.00 0.00 H new ATOM 0 HB VAL A 20 4.068 -3.208 10.322 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.096 -0.829 9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.627 -1.661 9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.443 -1.373 7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.969 -2.032 9.591 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.223 -2.643 7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.894 -3.781 9.267 1.00 0.00 H new ATOM 286 N LEU A 21 6.925 -3.768 8.070 1.00 0.00 N ATOM 287 CA LEU A 21 8.353 -3.989 8.253 1.00 0.00 C ATOM 288 C LEU A 21 8.986 -2.612 8.412 1.00 0.00 C ATOM 289 O LEU A 21 9.119 -1.846 7.457 1.00 0.00 O ATOM 290 CB LEU A 21 8.880 -4.853 7.094 1.00 0.00 C ATOM 291 CG LEU A 21 10.266 -5.477 7.341 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.596 -6.447 6.199 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.390 -4.447 7.473 1.00 0.00 C ATOM 0 H LEU A 21 6.707 -3.099 7.332 1.00 0.00 H new ATOM 0 HA LEU A 21 8.610 -4.559 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.165 -5.653 6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.927 -4.241 6.193 1.00 0.00 H new ATOM 0 HG LEU A 21 10.208 -5.998 8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.577 -6.891 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.843 -7.234 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.603 -5.906 5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.336 -4.961 7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.457 -3.862 6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.179 -3.784 8.312 1.00 0.00 H new ATOM 305 N ALA A 22 9.264 -2.246 9.658 1.00 0.00 N ATOM 306 CA ALA A 22 9.858 -0.971 9.990 1.00 0.00 C ATOM 307 C ALA A 22 11.369 -1.052 9.789 1.00 0.00 C ATOM 308 O ALA A 22 11.974 -2.084 10.082 1.00 0.00 O ATOM 309 CB ALA A 22 9.536 -0.621 11.437 1.00 0.00 C ATOM 0 H ALA A 22 9.079 -2.837 10.469 1.00 0.00 H new ATOM 0 HA ALA A 22 9.453 -0.194 9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.984 0.341 11.687 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.455 -0.562 11.565 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.938 -1.391 12.096 1.00 0.00 H new ATOM 315 N ASP A 23 11.972 0.056 9.371 1.00 0.00 N ATOM 316 CA ASP A 23 13.385 0.193 9.042 1.00 0.00 C ATOM 317 C ASP A 23 13.943 1.330 9.888 1.00 0.00 C ATOM 318 O ASP A 23 13.779 2.512 9.575 1.00 0.00 O ATOM 319 CB ASP A 23 13.572 0.441 7.539 1.00 0.00 C ATOM 320 CG ASP A 23 15.020 0.850 7.205 1.00 0.00 C ATOM 321 OD1 ASP A 23 15.965 0.240 7.751 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.203 1.755 6.360 1.00 0.00 O ATOM 0 H ASP A 23 11.460 0.929 9.246 1.00 0.00 H new ATOM 0 HA ASP A 23 13.928 -0.725 9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.312 -0.462 6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.888 1.224 7.211 1.00 0.00 H new ATOM 327 N PHE A 24 14.510 0.949 11.030 1.00 0.00 N ATOM 328 CA PHE A 24 15.192 1.824 11.960 1.00 0.00 C ATOM 329 C PHE A 24 16.531 2.159 11.318 1.00 0.00 C ATOM 330 O PHE A 24 17.381 1.275 11.137 1.00 0.00 O ATOM 331 CB PHE A 24 15.348 1.130 13.326 1.00 0.00 C ATOM 332 CG PHE A 24 14.047 1.029 14.106 1.00 0.00 C ATOM 333 CD1 PHE A 24 13.005 0.195 13.654 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.851 1.812 15.261 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.766 0.192 14.313 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.608 1.810 15.916 1.00 0.00 C ATOM 337 CZ PHE A 24 11.558 1.017 15.428 1.00 0.00 C ATOM 0 H PHE A 24 14.502 -0.023 11.340 1.00 0.00 H new ATOM 0 HA PHE A 24 14.633 2.739 12.154 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.749 0.128 13.172 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.078 1.678 13.922 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.160 -0.444 12.797 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.660 2.416 15.644 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.970 -0.448 13.961 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.460 2.419 16.796 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.592 1.042 15.910 1.00 0.00 H new ATOM 347 N TRP A 25 16.688 3.430 10.942 1.00 0.00 N ATOM 348 CA TRP A 25 17.831 3.938 10.203 1.00 0.00 C ATOM 349 C TRP A 25 18.063 5.399 10.606 1.00 0.00 C ATOM 350 O TRP A 25 17.373 5.907 11.486 1.00 0.00 O ATOM 351 CB TRP A 25 17.600 3.728 8.686 1.00 0.00 C ATOM 352 CG TRP A 25 17.432 4.944 7.822 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.358 5.449 6.973 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.315 5.882 7.784 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.850 6.577 6.359 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.619 6.924 6.863 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.091 5.977 8.471 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.753 8.002 6.630 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.217 7.061 8.260 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.545 8.072 7.340 1.00 0.00 C ATOM 0 H TRP A 25 15.998 4.151 11.153 1.00 0.00 H new ATOM 0 HA TRP A 25 18.744 3.394 10.445 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.442 3.156 8.296 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.711 3.109 8.567 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.341 5.034 6.803 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.330 7.091 5.620 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.816 5.204 9.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 16.012 8.768 5.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.288 7.116 8.809 1.00 0.00 H new ATOM 0 HH2 TRP A 25 13.870 8.900 7.180 1.00 0.00 H new ATOM 371 N ALA A 26 19.038 6.073 9.996 1.00 0.00 N ATOM 372 CA ALA A 26 19.228 7.514 10.076 1.00 0.00 C ATOM 373 C ALA A 26 20.001 7.914 8.815 1.00 0.00 C ATOM 374 O ALA A 26 20.829 7.118 8.366 1.00 0.00 O ATOM 375 CB ALA A 26 20.031 7.868 11.327 1.00 0.00 C ATOM 0 H ALA A 26 19.738 5.612 9.415 1.00 0.00 H new ATOM 0 HA ALA A 26 18.276 8.040 10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.168 8.948 11.378 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.494 7.528 12.212 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.005 7.380 11.284 1.00 0.00 H new ATOM 381 N PRO A 27 19.803 9.103 8.222 1.00 0.00 N ATOM 382 CA PRO A 27 20.508 9.481 7.000 1.00 0.00 C ATOM 383 C PRO A 27 22.037 9.526 7.097 1.00 0.00 C ATOM 384 O PRO A 27 22.694 9.470 6.057 1.00 0.00 O ATOM 385 CB PRO A 27 19.942 10.835 6.573 1.00 0.00 C ATOM 386 CG PRO A 27 18.573 10.887 7.253 1.00 0.00 C ATOM 387 CD PRO A 27 18.770 10.078 8.536 1.00 0.00 C ATOM 0 HA PRO A 27 20.336 8.699 6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.581 11.656 6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 27 19.854 10.908 5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.273 11.912 7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.797 10.454 6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.074 10.720 9.363 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.845 9.587 8.837 1.00 0.00 H new ATOM 395 N TRP A 28 22.629 9.593 8.296 1.00 0.00 N ATOM 396 CA TRP A 28 24.084 9.500 8.436 1.00 0.00 C ATOM 397 C TRP A 28 24.603 8.089 8.114 1.00 0.00 C ATOM 398 O TRP A 28 25.794 7.922 7.845 1.00 0.00 O ATOM 399 CB TRP A 28 24.534 9.933 9.840 1.00 0.00 C ATOM 400 CG TRP A 28 24.148 9.040 10.986 1.00 0.00 C ATOM 401 CD1 TRP A 28 23.089 9.231 11.800 1.00 0.00 C ATOM 402 CD2 TRP A 28 24.802 7.824 11.479 1.00 0.00 C ATOM 403 NE1 TRP A 28 23.043 8.241 12.759 1.00 0.00 N ATOM 404 CE2 TRP A 28 24.057 7.325 12.590 1.00 0.00 C ATOM 405 CE3 TRP A 28 25.947 7.087 11.101 1.00 0.00 C ATOM 406 CZ2 TRP A 28 24.411 6.148 13.268 1.00 0.00 C ATOM 407 CZ3 TRP A 28 26.310 5.903 11.770 1.00 0.00 C ATOM 408 CH2 TRP A 28 25.542 5.428 12.849 1.00 0.00 C ATOM 0 H TRP A 28 22.126 9.710 9.176 1.00 0.00 H new ATOM 0 HA TRP A 28 24.518 10.185 7.708 1.00 0.00 H new ATOM 0 HB2 TRP A 28 25.620 10.026 9.834 1.00 0.00 H new ATOM 0 HB3 TRP A 28 24.130 10.927 10.034 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.380 10.041 11.713 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.345 8.193 13.501 1.00 0.00 H new ATOM 0 HE3 TRP A 28 26.556 7.440 10.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 23.820 5.800 14.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 27.185 5.355 11.453 1.00 0.00 H new ATOM 0 HH2 TRP A 28 25.821 4.514 13.353 1.00 0.00 H new ATOM 419 N CYS A 29 23.726 7.081 8.174 1.00 0.00 N ATOM 420 CA CYS A 29 24.063 5.674 8.054 1.00 0.00 C ATOM 421 C CYS A 29 24.736 5.378 6.709 1.00 0.00 C ATOM 422 O CYS A 29 24.385 5.975 5.687 1.00 0.00 O ATOM 423 CB CYS A 29 22.773 4.863 8.194 1.00 0.00 C ATOM 424 SG CYS A 29 22.990 3.074 8.336 1.00 0.00 S ATOM 0 H CYS A 29 22.728 7.237 8.313 1.00 0.00 H new ATOM 0 HA CYS A 29 24.771 5.400 8.836 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.235 5.217 9.074 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.140 5.067 7.330 1.00 0.00 H new ATOM 429 N GLY A 30 25.639 4.397 6.703 1.00 0.00 N ATOM 430 CA GLY A 30 26.253 3.855 5.496 1.00 0.00 C ATOM 431 C GLY A 30 25.545 2.575 5.049 1.00 0.00 C ATOM 432 O GLY A 30 24.912 2.594 3.993 1.00 0.00 O ATOM 0 H GLY A 30 25.970 3.949 7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 30 26.211 4.596 4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.307 3.646 5.682 1.00 0.00 H new ATOM 436 N PRO A 31 25.550 1.480 5.838 1.00 0.00 N ATOM 437 CA PRO A 31 24.981 0.204 5.400 1.00 0.00 C ATOM 438 C PRO A 31 23.476 0.268 5.109 1.00 0.00 C ATOM 439 O PRO A 31 22.989 -0.471 4.253 1.00 0.00 O ATOM 440 CB PRO A 31 25.335 -0.823 6.483 1.00 0.00 C ATOM 441 CG PRO A 31 25.716 0.015 7.703 1.00 0.00 C ATOM 442 CD PRO A 31 26.263 1.303 7.097 1.00 0.00 C ATOM 0 HA PRO A 31 25.407 -0.083 4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.490 -1.477 6.700 1.00 0.00 H new ATOM 0 HB3 PRO A 31 26.160 -1.462 6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.854 0.207 8.342 1.00 0.00 H new ATOM 0 HG3 PRO A 31 26.463 -0.488 8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 31 26.098 2.150 7.763 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.338 1.232 6.932 1.00 0.00 H new ATOM 450 N CYS A 32 22.739 1.188 5.742 1.00 0.00 N ATOM 451 CA CYS A 32 21.324 1.415 5.455 1.00 0.00 C ATOM 452 C CYS A 32 21.098 1.762 3.977 1.00 0.00 C ATOM 453 O CYS A 32 20.099 1.355 3.384 1.00 0.00 O ATOM 454 CB CYS A 32 20.769 2.543 6.334 1.00 0.00 C ATOM 455 SG CYS A 32 21.084 2.415 8.120 1.00 0.00 S ATOM 0 H CYS A 32 23.112 1.797 6.470 1.00 0.00 H new ATOM 0 HA CYS A 32 20.796 0.488 5.678 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.186 3.486 5.981 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.691 2.595 6.181 1.00 0.00 H new ATOM 460 N LYS A 33 22.035 2.486 3.356 1.00 0.00 N ATOM 461 CA LYS A 33 21.933 2.887 1.957 1.00 0.00 C ATOM 462 C LYS A 33 22.030 1.674 1.030 1.00 0.00 C ATOM 463 O LYS A 33 21.507 1.730 -0.081 1.00 0.00 O ATOM 464 CB LYS A 33 23.019 3.928 1.613 1.00 0.00 C ATOM 465 CG LYS A 33 23.127 5.115 2.593 1.00 0.00 C ATOM 466 CD LYS A 33 21.905 6.055 2.603 1.00 0.00 C ATOM 467 CE LYS A 33 21.931 7.060 3.772 1.00 0.00 C ATOM 468 NZ LYS A 33 23.210 7.802 3.883 1.00 0.00 N ATOM 0 H LYS A 33 22.887 2.809 3.815 1.00 0.00 H new ATOM 0 HA LYS A 33 20.956 3.346 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.984 3.423 1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.822 4.319 0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.277 4.725 3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 33 24.014 5.697 2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.866 6.602 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.995 5.459 2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.116 7.773 3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.747 6.526 4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.077 8.633 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.936 7.182 4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.515 8.112 2.938 1.00 0.00 H new ATOM 482 N MET A 34 22.669 0.580 1.467 1.00 0.00 N ATOM 483 CA MET A 34 22.760 -0.647 0.687 1.00 0.00 C ATOM 484 C MET A 34 21.403 -1.343 0.629 1.00 0.00 C ATOM 485 O MET A 34 21.007 -1.819 -0.432 1.00 0.00 O ATOM 486 CB MET A 34 23.794 -1.623 1.273 1.00 0.00 C ATOM 487 CG MET A 34 25.181 -1.008 1.493 1.00 0.00 C ATOM 488 SD MET A 34 26.478 -2.181 1.997 1.00 0.00 S ATOM 489 CE MET A 34 25.666 -3.076 3.354 1.00 0.00 C ATOM 0 H MET A 34 23.135 0.528 2.373 1.00 0.00 H new ATOM 0 HA MET A 34 23.079 -0.363 -0.316 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.421 -2.002 2.225 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.890 -2.479 0.605 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.494 -0.519 0.571 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.100 -0.232 2.254 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.405 -3.670 3.892 1.00 0.00 H new ATOM 0 HE2 MET A 34 25.207 -2.362 4.038 1.00 0.00 H new ATOM 0 HE3 MET A 34 24.898 -3.734 2.948 1.00 0.00 H new ATOM 499 N ILE A 35 20.692 -1.415 1.760 1.00 0.00 N ATOM 500 CA ILE A 35 19.436 -2.153 1.856 1.00 0.00 C ATOM 501 C ILE A 35 18.243 -1.310 1.379 1.00 0.00 C ATOM 502 O ILE A 35 17.255 -1.885 0.938 1.00 0.00 O ATOM 503 CB ILE A 35 19.264 -2.773 3.266 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.157 -3.851 3.260 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.052 -1.708 4.353 1.00 0.00 C ATOM 506 CD1 ILE A 35 17.995 -4.593 4.593 1.00 0.00 C ATOM 0 H ILE A 35 20.974 -0.963 2.630 1.00 0.00 H new ATOM 0 HA ILE A 35 19.471 -2.997 1.167 1.00 0.00 H new ATOM 0 HB ILE A 35 20.199 -3.270 3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.208 -3.380 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.377 -4.577 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 35 18.937 -2.195 5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 35 19.914 -1.041 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.155 -1.132 4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.198 -5.332 4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 35 18.929 -5.095 4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.743 -3.880 5.378 1.00 0.00 H new ATOM 518 N ALA A 36 18.321 0.026 1.395 1.00 0.00 N ATOM 519 CA ALA A 36 17.243 0.902 0.928 1.00 0.00 C ATOM 520 C ALA A 36 16.678 0.522 -0.462 1.00 0.00 C ATOM 521 O ALA A 36 15.463 0.327 -0.561 1.00 0.00 O ATOM 522 CB ALA A 36 17.693 2.367 0.996 1.00 0.00 C ATOM 0 H ALA A 36 19.139 0.531 1.735 1.00 0.00 H new ATOM 0 HA ALA A 36 16.401 0.760 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.886 3.012 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.943 2.623 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.570 2.508 0.364 1.00 0.00 H new ATOM 528 N PRO A 37 17.486 0.337 -1.528 1.00 0.00 N ATOM 529 CA PRO A 37 16.950 -0.087 -2.819 1.00 0.00 C ATOM 530 C PRO A 37 16.382 -1.510 -2.771 1.00 0.00 C ATOM 531 O PRO A 37 15.431 -1.812 -3.488 1.00 0.00 O ATOM 532 CB PRO A 37 18.099 0.046 -3.823 1.00 0.00 C ATOM 533 CG PRO A 37 19.350 -0.056 -2.954 1.00 0.00 C ATOM 534 CD PRO A 37 18.912 0.604 -1.648 1.00 0.00 C ATOM 0 HA PRO A 37 16.106 0.536 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.068 -0.743 -4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.058 0.996 -4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.653 -1.092 -2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.198 0.461 -3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.460 0.194 -0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.109 1.676 -1.666 1.00 0.00 H new ATOM 542 N VAL A 38 16.917 -2.379 -1.911 1.00 0.00 N ATOM 543 CA VAL A 38 16.387 -3.719 -1.715 1.00 0.00 C ATOM 544 C VAL A 38 14.992 -3.625 -1.082 1.00 0.00 C ATOM 545 O VAL A 38 14.100 -4.356 -1.502 1.00 0.00 O ATOM 546 CB VAL A 38 17.356 -4.595 -0.888 1.00 0.00 C ATOM 547 CG1 VAL A 38 16.969 -6.074 -0.989 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.816 -4.477 -1.359 1.00 0.00 C ATOM 0 H VAL A 38 17.730 -2.168 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 38 16.289 -4.214 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 38 17.277 -4.231 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.664 -6.673 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.957 -6.212 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.011 -6.391 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.450 -5.114 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.889 -4.792 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.145 -3.442 -1.269 1.00 0.00 H new ATOM 558 N LEU A 39 14.765 -2.713 -0.127 1.00 0.00 N ATOM 559 CA LEU A 39 13.448 -2.467 0.453 1.00 0.00 C ATOM 560 C LEU A 39 12.489 -1.909 -0.594 1.00 0.00 C ATOM 561 O LEU A 39 11.326 -2.299 -0.601 1.00 0.00 O ATOM 562 CB LEU A 39 13.533 -1.513 1.658 1.00 0.00 C ATOM 563 CG LEU A 39 14.219 -2.140 2.883 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.586 -1.049 3.893 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.340 -3.191 3.575 1.00 0.00 C ATOM 0 H LEU A 39 15.499 -2.123 0.264 1.00 0.00 H new ATOM 0 HA LEU A 39 13.063 -3.424 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.078 -0.616 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.527 -1.198 1.935 1.00 0.00 H new ATOM 0 HG LEU A 39 15.117 -2.642 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 39 15.071 -1.502 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.266 -0.336 3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.682 -0.532 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.872 -3.602 4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.413 -2.726 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.110 -3.992 2.873 1.00 0.00 H new ATOM 577 N GLU A 40 12.950 -1.037 -1.496 1.00 0.00 N ATOM 578 CA GLU A 40 12.130 -0.579 -2.616 1.00 0.00 C ATOM 579 C GLU A 40 11.734 -1.748 -3.525 1.00 0.00 C ATOM 580 O GLU A 40 10.577 -1.857 -3.938 1.00 0.00 O ATOM 581 CB GLU A 40 12.828 0.536 -3.411 1.00 0.00 C ATOM 582 CG GLU A 40 12.895 1.854 -2.628 1.00 0.00 C ATOM 583 CD GLU A 40 13.549 2.973 -3.459 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.843 3.646 -4.244 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.771 3.208 -3.324 1.00 0.00 O ATOM 0 H GLU A 40 13.887 -0.635 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 40 11.216 -0.155 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.838 0.218 -3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.296 0.699 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.889 2.157 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.461 1.704 -1.709 1.00 0.00 H new ATOM 592 N GLU A 41 12.669 -2.641 -3.839 1.00 0.00 N ATOM 593 CA GLU A 41 12.374 -3.839 -4.619 1.00 0.00 C ATOM 594 C GLU A 41 11.377 -4.729 -3.867 1.00 0.00 C ATOM 595 O GLU A 41 10.458 -5.271 -4.476 1.00 0.00 O ATOM 596 CB GLU A 41 13.665 -4.593 -4.977 1.00 0.00 C ATOM 597 CG GLU A 41 14.439 -3.879 -6.095 1.00 0.00 C ATOM 598 CD GLU A 41 15.762 -4.593 -6.422 1.00 0.00 C ATOM 599 OE1 GLU A 41 15.722 -5.695 -7.013 1.00 0.00 O ATOM 600 OE2 GLU A 41 16.850 -4.049 -6.126 1.00 0.00 O ATOM 0 H GLU A 41 13.647 -2.555 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 41 11.909 -3.542 -5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.296 -4.678 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.420 -5.607 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.821 -3.831 -6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.645 -2.852 -5.795 1.00 0.00 H new ATOM 607 N LEU A 42 11.511 -4.827 -2.544 1.00 0.00 N ATOM 608 CA LEU A 42 10.607 -5.583 -1.685 1.00 0.00 C ATOM 609 C LEU A 42 9.201 -4.995 -1.745 1.00 0.00 C ATOM 610 O LEU A 42 8.228 -5.733 -1.890 1.00 0.00 O ATOM 611 CB LEU A 42 11.129 -5.589 -0.231 1.00 0.00 C ATOM 612 CG LEU A 42 11.134 -6.962 0.451 1.00 0.00 C ATOM 613 CD1 LEU A 42 9.752 -7.612 0.500 1.00 0.00 C ATOM 614 CD2 LEU A 42 12.121 -7.903 -0.244 1.00 0.00 C ATOM 0 H LEU A 42 12.267 -4.373 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 42 10.566 -6.612 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.145 -5.193 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.517 -4.908 0.361 1.00 0.00 H new ATOM 0 HG LEU A 42 11.446 -6.790 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.823 -8.581 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.068 -6.970 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.378 -7.749 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.111 -8.873 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.832 -8.028 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.124 -7.480 -0.194 1.00 0.00 H new ATOM 626 N ASP A 43 9.087 -3.668 -1.678 1.00 0.00 N ATOM 627 CA ASP A 43 7.812 -2.971 -1.768 1.00 0.00 C ATOM 628 C ASP A 43 7.130 -3.256 -3.097 1.00 0.00 C ATOM 629 O ASP A 43 5.931 -3.522 -3.147 1.00 0.00 O ATOM 630 CB ASP A 43 8.007 -1.460 -1.636 1.00 0.00 C ATOM 631 CG ASP A 43 6.641 -0.774 -1.509 1.00 0.00 C ATOM 632 OD1 ASP A 43 5.944 -1.035 -0.504 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.282 0.033 -2.395 1.00 0.00 O ATOM 0 H ASP A 43 9.886 -3.045 -1.559 1.00 0.00 H new ATOM 0 HA ASP A 43 7.188 -3.333 -0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.620 -1.237 -0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.539 -1.075 -2.506 1.00 0.00 H new ATOM 638 N GLN A 44 7.911 -3.257 -4.176 1.00 0.00 N ATOM 639 CA GLN A 44 7.408 -3.493 -5.521 1.00 0.00 C ATOM 640 C GLN A 44 7.008 -4.964 -5.753 1.00 0.00 C ATOM 641 O GLN A 44 6.349 -5.260 -6.751 1.00 0.00 O ATOM 642 CB GLN A 44 8.445 -2.991 -6.534 1.00 0.00 C ATOM 643 CG GLN A 44 8.548 -1.456 -6.492 1.00 0.00 C ATOM 644 CD GLN A 44 9.756 -0.964 -7.287 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.663 -0.619 -8.463 1.00 0.00 O ATOM 646 NE2 GLN A 44 10.919 -0.933 -6.657 1.00 0.00 N ATOM 0 H GLN A 44 8.917 -3.093 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 44 6.485 -2.930 -5.658 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.418 -3.432 -6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.167 -3.314 -7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.637 -1.016 -6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.629 -1.122 -5.458 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.978 -1.223 -5.681 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.756 -0.619 -7.147 1.00 0.00 H new ATOM 655 N GLU A 45 7.356 -5.877 -4.840 1.00 0.00 N ATOM 656 CA GLU A 45 7.059 -7.301 -4.920 1.00 0.00 C ATOM 657 C GLU A 45 5.955 -7.702 -3.943 1.00 0.00 C ATOM 658 O GLU A 45 5.150 -8.574 -4.272 1.00 0.00 O ATOM 659 CB GLU A 45 8.343 -8.097 -4.631 1.00 0.00 C ATOM 660 CG GLU A 45 9.339 -8.053 -5.799 1.00 0.00 C ATOM 661 CD GLU A 45 8.877 -8.890 -7.006 1.00 0.00 C ATOM 662 OE1 GLU A 45 9.090 -10.125 -7.017 1.00 0.00 O ATOM 663 OE2 GLU A 45 8.317 -8.325 -7.973 1.00 0.00 O ATOM 0 H GLU A 45 7.871 -5.629 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 45 6.699 -7.526 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.820 -7.698 -3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.083 -9.134 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.480 -7.018 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.308 -8.418 -5.459 1.00 0.00 H new ATOM 670 N MET A 46 5.872 -7.043 -2.783 1.00 0.00 N ATOM 671 CA MET A 46 5.034 -7.485 -1.670 1.00 0.00 C ATOM 672 C MET A 46 4.072 -6.409 -1.185 1.00 0.00 C ATOM 673 O MET A 46 3.253 -6.706 -0.321 1.00 0.00 O ATOM 674 CB MET A 46 5.921 -7.955 -0.504 1.00 0.00 C ATOM 675 CG MET A 46 6.943 -9.027 -0.911 1.00 0.00 C ATOM 676 SD MET A 46 6.280 -10.533 -1.673 1.00 0.00 S ATOM 677 CE MET A 46 5.587 -11.313 -0.201 1.00 0.00 C ATOM 0 H MET A 46 6.388 -6.184 -2.591 1.00 0.00 H new ATOM 0 HA MET A 46 4.426 -8.311 -2.040 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.451 -7.097 -0.091 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.287 -8.350 0.289 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.651 -8.576 -1.607 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.507 -9.314 -0.024 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.129 -12.264 -0.474 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.380 -11.488 0.526 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.832 -10.659 0.236 1.00 0.00 H new ATOM 687 N GLY A 47 4.120 -5.186 -1.718 1.00 0.00 N ATOM 688 CA GLY A 47 3.304 -4.053 -1.271 1.00 0.00 C ATOM 689 C GLY A 47 1.790 -4.283 -1.342 1.00 0.00 C ATOM 690 O GLY A 47 1.027 -3.507 -0.770 1.00 0.00 O ATOM 0 H GLY A 47 4.742 -4.950 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.573 -3.813 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.554 -3.182 -1.877 1.00 0.00 H new ATOM 694 N ASP A 48 1.341 -5.348 -2.004 1.00 0.00 N ATOM 695 CA ASP A 48 -0.051 -5.794 -2.005 1.00 0.00 C ATOM 696 C ASP A 48 -0.498 -6.274 -0.616 1.00 0.00 C ATOM 697 O ASP A 48 -1.674 -6.165 -0.265 1.00 0.00 O ATOM 698 CB ASP A 48 -0.220 -6.919 -3.032 1.00 0.00 C ATOM 699 CG ASP A 48 -1.666 -7.432 -3.060 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.537 -6.773 -3.673 1.00 0.00 O ATOM 701 OD2 ASP A 48 -1.929 -8.509 -2.482 1.00 0.00 O ATOM 0 H ASP A 48 1.951 -5.939 -2.569 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.681 -4.946 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.059 -6.557 -4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.455 -7.740 -2.791 1.00 0.00 H new ATOM 706 N LYS A 49 0.445 -6.769 0.194 1.00 0.00 N ATOM 707 CA LYS A 49 0.235 -7.265 1.555 1.00 0.00 C ATOM 708 C LYS A 49 1.081 -6.500 2.576 1.00 0.00 C ATOM 709 O LYS A 49 0.715 -6.463 3.750 1.00 0.00 O ATOM 710 CB LYS A 49 0.621 -8.756 1.606 1.00 0.00 C ATOM 711 CG LYS A 49 -0.212 -9.697 0.717 1.00 0.00 C ATOM 712 CD LYS A 49 -1.569 -10.117 1.319 1.00 0.00 C ATOM 713 CE LYS A 49 -2.713 -9.102 1.159 1.00 0.00 C ATOM 714 NZ LYS A 49 -3.322 -9.123 -0.191 1.00 0.00 N ATOM 0 H LYS A 49 1.420 -6.837 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.815 -7.122 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.669 -8.850 1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.541 -9.097 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.390 -9.207 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.373 -10.594 0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.875 -11.056 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.429 -10.314 2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.483 -9.311 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.334 -8.101 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.108 -8.443 -0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.606 -8.863 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.680 -10.078 -0.395 1.00 0.00 H new ATOM 728 N LEU A 50 2.198 -5.907 2.151 1.00 0.00 N ATOM 729 CA LEU A 50 3.207 -5.333 3.034 1.00 0.00 C ATOM 730 C LEU A 50 3.098 -3.808 3.074 1.00 0.00 C ATOM 731 O LEU A 50 2.604 -3.177 2.139 1.00 0.00 O ATOM 732 CB LEU A 50 4.593 -5.771 2.510 1.00 0.00 C ATOM 733 CG LEU A 50 5.810 -5.363 3.364 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.737 -5.942 4.782 1.00 0.00 C ATOM 735 CD2 LEU A 50 7.092 -5.838 2.679 1.00 0.00 C ATOM 0 H LEU A 50 2.428 -5.812 1.162 1.00 0.00 H new ATOM 0 HA LEU A 50 3.058 -5.688 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.593 -6.857 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.725 -5.360 1.509 1.00 0.00 H new ATOM 0 HG LEU A 50 5.808 -4.277 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.614 -5.629 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.837 -5.579 5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.708 -7.030 4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.954 -5.551 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.068 -6.923 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.169 -5.380 1.693 1.00 0.00 H new ATOM 747 N LYS A 51 3.618 -3.212 4.142 1.00 0.00 N ATOM 748 CA LYS A 51 3.882 -1.785 4.285 1.00 0.00 C ATOM 749 C LYS A 51 5.291 -1.728 4.870 1.00 0.00 C ATOM 750 O LYS A 51 5.639 -2.587 5.686 1.00 0.00 O ATOM 751 CB LYS A 51 2.840 -1.141 5.217 1.00 0.00 C ATOM 752 CG LYS A 51 3.062 0.373 5.409 1.00 0.00 C ATOM 753 CD LYS A 51 2.268 0.955 6.583 1.00 0.00 C ATOM 754 CE LYS A 51 0.753 0.931 6.347 1.00 0.00 C ATOM 755 NZ LYS A 51 0.046 1.590 7.461 1.00 0.00 N ATOM 0 H LYS A 51 3.880 -3.739 4.975 1.00 0.00 H new ATOM 0 HA LYS A 51 3.814 -1.234 3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.843 -1.308 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.874 -1.634 6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.124 0.561 5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.780 0.894 4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.499 0.391 7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.587 1.982 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.517 1.435 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.410 -0.099 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.981 1.505 7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.310 1.134 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.309 2.596 7.493 1.00 0.00 H new ATOM 769 N ILE A 52 6.093 -0.740 4.489 1.00 0.00 N ATOM 770 CA ILE A 52 7.445 -0.571 5.013 1.00 0.00 C ATOM 771 C ILE A 52 7.449 0.788 5.709 1.00 0.00 C ATOM 772 O ILE A 52 6.819 1.718 5.212 1.00 0.00 O ATOM 773 CB ILE A 52 8.487 -0.731 3.879 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.403 -2.154 3.273 1.00 0.00 C ATOM 775 CG2 ILE A 52 9.917 -0.420 4.362 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.387 -2.431 2.130 1.00 0.00 C ATOM 0 H ILE A 52 5.824 -0.031 3.806 1.00 0.00 H new ATOM 0 HA ILE A 52 7.730 -1.335 5.736 1.00 0.00 H new ATOM 0 HB ILE A 52 8.249 -0.004 3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.577 -2.881 4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.389 -2.318 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.616 -0.545 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.963 0.607 4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.185 -1.102 5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.251 -3.452 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.202 -1.733 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.408 -2.305 2.490 1.00 0.00 H new ATOM 788 N VAL A 53 8.112 0.920 6.859 1.00 0.00 N ATOM 789 CA VAL A 53 7.996 2.119 7.696 1.00 0.00 C ATOM 790 C VAL A 53 9.399 2.570 8.111 1.00 0.00 C ATOM 791 O VAL A 53 9.979 2.036 9.055 1.00 0.00 O ATOM 792 CB VAL A 53 7.024 1.836 8.872 1.00 0.00 C ATOM 793 CG1 VAL A 53 6.966 2.998 9.876 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.589 1.610 8.369 1.00 0.00 C ATOM 0 H VAL A 53 8.738 0.208 7.235 1.00 0.00 H new ATOM 0 HA VAL A 53 7.558 2.956 7.152 1.00 0.00 H new ATOM 0 HB VAL A 53 7.413 0.942 9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.272 2.750 10.679 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.958 3.168 10.293 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.626 3.901 9.368 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.933 1.414 9.217 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.244 2.499 7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.571 0.756 7.692 1.00 0.00 H new ATOM 804 N LYS A 54 9.979 3.541 7.400 1.00 0.00 N ATOM 805 CA LYS A 54 11.293 4.079 7.755 1.00 0.00 C ATOM 806 C LYS A 54 11.118 4.966 8.986 1.00 0.00 C ATOM 807 O LYS A 54 10.210 5.805 9.014 1.00 0.00 O ATOM 808 CB LYS A 54 11.913 4.861 6.578 1.00 0.00 C ATOM 809 CG LYS A 54 11.996 4.022 5.290 1.00 0.00 C ATOM 810 CD LYS A 54 12.774 4.723 4.168 1.00 0.00 C ATOM 811 CE LYS A 54 12.087 6.016 3.701 1.00 0.00 C ATOM 812 NZ LYS A 54 12.808 6.660 2.573 1.00 0.00 N ATOM 0 H LYS A 54 9.559 3.970 6.576 1.00 0.00 H new ATOM 0 HA LYS A 54 11.983 3.266 7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.319 5.755 6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.913 5.195 6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.473 3.068 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.987 3.800 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.780 4.955 4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.878 4.044 3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.065 5.792 3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.025 6.714 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.308 7.528 2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.776 6.898 2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.845 6.005 1.766 1.00 0.00 H new ATOM 826 N ILE A 55 11.992 4.830 9.984 1.00 0.00 N ATOM 827 CA ILE A 55 11.961 5.641 11.197 1.00 0.00 C ATOM 828 C ILE A 55 13.399 6.040 11.557 1.00 0.00 C ATOM 829 O ILE A 55 14.309 5.205 11.604 1.00 0.00 O ATOM 830 CB ILE A 55 11.160 4.930 12.315 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.046 5.861 13.542 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.711 3.540 12.685 1.00 0.00 C ATOM 833 CD1 ILE A 55 10.032 5.384 14.587 1.00 0.00 C ATOM 0 H ILE A 55 12.748 4.146 9.971 1.00 0.00 H new ATOM 0 HA ILE A 55 11.417 6.573 11.042 1.00 0.00 H new ATOM 0 HB ILE A 55 10.162 4.731 11.926 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.025 5.948 14.013 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.764 6.859 13.205 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.099 3.104 13.474 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.686 2.893 11.808 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.739 3.637 13.035 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.008 6.088 15.419 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.043 5.324 14.133 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.323 4.400 14.954 1.00 0.00 H new ATOM 845 N ASP A 56 13.589 7.353 11.729 1.00 0.00 N ATOM 846 CA ASP A 56 14.896 7.980 11.901 1.00 0.00 C ATOM 847 C ASP A 56 15.245 7.966 13.383 1.00 0.00 C ATOM 848 O ASP A 56 14.669 8.732 14.161 1.00 0.00 O ATOM 849 CB ASP A 56 14.896 9.414 11.351 1.00 0.00 C ATOM 850 CG ASP A 56 16.252 10.130 11.524 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.207 9.549 12.084 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.355 11.290 11.062 1.00 0.00 O ATOM 0 H ASP A 56 12.818 8.021 11.752 1.00 0.00 H new ATOM 0 HA ASP A 56 15.646 7.422 11.341 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.637 9.391 10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.121 9.990 11.856 1.00 0.00 H new ATOM 857 N VAL A 57 16.140 7.069 13.793 1.00 0.00 N ATOM 858 CA VAL A 57 16.479 6.863 15.196 1.00 0.00 C ATOM 859 C VAL A 57 17.078 8.118 15.837 1.00 0.00 C ATOM 860 O VAL A 57 16.966 8.273 17.051 1.00 0.00 O ATOM 861 CB VAL A 57 17.389 5.626 15.376 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.711 4.372 14.808 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.786 5.764 14.750 1.00 0.00 C ATOM 0 H VAL A 57 16.653 6.461 13.154 1.00 0.00 H new ATOM 0 HA VAL A 57 15.549 6.663 15.728 1.00 0.00 H new ATOM 0 HB VAL A 57 17.535 5.539 16.453 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.366 3.511 14.943 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.771 4.198 15.331 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.514 4.514 13.745 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.355 4.851 14.925 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.689 5.932 13.677 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.306 6.608 15.204 1.00 0.00 H new ATOM 873 N ASP A 58 17.658 9.040 15.055 1.00 0.00 N ATOM 874 CA ASP A 58 18.257 10.262 15.595 1.00 0.00 C ATOM 875 C ASP A 58 17.202 11.173 16.230 1.00 0.00 C ATOM 876 O ASP A 58 17.525 11.952 17.126 1.00 0.00 O ATOM 877 CB ASP A 58 19.020 11.024 14.507 1.00 0.00 C ATOM 878 CG ASP A 58 19.744 12.250 15.088 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.710 12.075 15.865 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.390 13.397 14.731 1.00 0.00 O ATOM 0 H ASP A 58 17.723 8.958 14.040 1.00 0.00 H new ATOM 0 HA ASP A 58 18.959 9.961 16.373 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.745 10.360 14.035 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.327 11.343 13.729 1.00 0.00 H new ATOM 885 N GLU A 59 15.934 11.027 15.832 1.00 0.00 N ATOM 886 CA GLU A 59 14.803 11.812 16.331 1.00 0.00 C ATOM 887 C GLU A 59 13.775 10.919 17.048 1.00 0.00 C ATOM 888 O GLU A 59 12.744 11.410 17.508 1.00 0.00 O ATOM 889 CB GLU A 59 14.155 12.585 15.169 1.00 0.00 C ATOM 890 CG GLU A 59 15.103 13.617 14.540 1.00 0.00 C ATOM 891 CD GLU A 59 14.352 14.575 13.597 1.00 0.00 C ATOM 892 OE1 GLU A 59 14.024 14.191 12.451 1.00 0.00 O ATOM 893 OE2 GLU A 59 14.090 15.736 13.987 1.00 0.00 O ATOM 0 H GLU A 59 15.659 10.338 15.132 1.00 0.00 H new ATOM 0 HA GLU A 59 15.172 12.528 17.065 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.834 11.879 14.403 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.260 13.092 15.530 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.592 14.190 15.328 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.888 13.101 13.986 1.00 0.00 H new ATOM 900 N ASN A 60 14.044 9.611 17.154 1.00 0.00 N ATOM 901 CA ASN A 60 13.111 8.594 17.652 1.00 0.00 C ATOM 902 C ASN A 60 13.879 7.613 18.540 1.00 0.00 C ATOM 903 O ASN A 60 13.739 6.392 18.432 1.00 0.00 O ATOM 904 CB ASN A 60 12.385 7.899 16.488 1.00 0.00 C ATOM 905 CG ASN A 60 11.494 8.868 15.723 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.392 9.192 16.152 1.00 0.00 O ATOM 907 ND2 ASN A 60 11.952 9.365 14.586 1.00 0.00 N ATOM 0 H ASN A 60 14.947 9.220 16.886 1.00 0.00 H new ATOM 0 HA ASN A 60 12.333 9.062 18.255 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.119 7.465 15.809 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.782 7.077 16.874 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.387 10.027 14.054 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.871 9.087 14.241 1.00 0.00 H new ATOM 914 N GLN A 61 14.745 8.168 19.393 1.00 0.00 N ATOM 915 CA GLN A 61 15.641 7.408 20.256 1.00 0.00 C ATOM 916 C GLN A 61 14.823 6.520 21.202 1.00 0.00 C ATOM 917 O GLN A 61 15.222 5.395 21.500 1.00 0.00 O ATOM 918 CB GLN A 61 16.575 8.330 21.072 1.00 0.00 C ATOM 919 CG GLN A 61 17.043 9.640 20.399 1.00 0.00 C ATOM 920 CD GLN A 61 16.000 10.768 20.437 1.00 0.00 C ATOM 921 OE1 GLN A 61 15.061 10.760 21.228 1.00 0.00 O ATOM 922 NE2 GLN A 61 16.093 11.748 19.556 1.00 0.00 N ATOM 0 H GLN A 61 14.841 9.178 19.502 1.00 0.00 H new ATOM 0 HA GLN A 61 16.268 6.786 19.618 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.065 8.591 21.999 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.461 7.756 21.345 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.953 9.984 20.890 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.300 9.431 19.361 1.00 0.00 H new ATOM 0 HE21 GLN A 61 16.868 11.766 18.893 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.390 12.486 19.538 1.00 0.00 H new ATOM 931 N GLU A 62 13.663 7.014 21.647 1.00 0.00 N ATOM 932 CA GLU A 62 12.765 6.290 22.535 1.00 0.00 C ATOM 933 C GLU A 62 12.257 5.020 21.852 1.00 0.00 C ATOM 934 O GLU A 62 12.272 3.959 22.469 1.00 0.00 O ATOM 935 CB GLU A 62 11.584 7.187 22.949 1.00 0.00 C ATOM 936 CG GLU A 62 11.996 8.404 23.794 1.00 0.00 C ATOM 937 CD GLU A 62 12.600 8.005 25.153 1.00 0.00 C ATOM 938 OE1 GLU A 62 11.838 7.677 26.091 1.00 0.00 O ATOM 939 OE2 GLU A 62 13.841 8.036 25.310 1.00 0.00 O ATOM 0 H GLU A 62 13.322 7.941 21.393 1.00 0.00 H new ATOM 0 HA GLU A 62 13.315 6.006 23.432 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.073 7.536 22.052 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.867 6.591 23.513 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.722 8.998 23.239 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.125 9.038 23.960 1.00 0.00 H new ATOM 946 N THR A 63 11.854 5.096 20.581 1.00 0.00 N ATOM 947 CA THR A 63 11.313 3.963 19.840 1.00 0.00 C ATOM 948 C THR A 63 12.400 2.908 19.626 1.00 0.00 C ATOM 949 O THR A 63 12.149 1.719 19.784 1.00 0.00 O ATOM 950 CB THR A 63 10.754 4.440 18.491 1.00 0.00 C ATOM 951 OG1 THR A 63 10.270 5.759 18.594 1.00 0.00 O ATOM 952 CG2 THR A 63 9.627 3.561 17.946 1.00 0.00 C ATOM 0 H THR A 63 11.896 5.957 20.035 1.00 0.00 H new ATOM 0 HA THR A 63 10.503 3.514 20.415 1.00 0.00 H new ATOM 0 HB THR A 63 11.591 4.380 17.796 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.787 5.865 19.440 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.283 3.960 16.992 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.995 2.545 17.803 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.799 3.551 18.654 1.00 0.00 H new ATOM 960 N ALA A 64 13.626 3.331 19.312 1.00 0.00 N ATOM 961 CA ALA A 64 14.772 2.437 19.226 1.00 0.00 C ATOM 962 C ALA A 64 14.997 1.740 20.572 1.00 0.00 C ATOM 963 O ALA A 64 15.052 0.509 20.631 1.00 0.00 O ATOM 964 CB ALA A 64 16.001 3.239 18.769 1.00 0.00 C ATOM 0 H ALA A 64 13.848 4.306 19.111 1.00 0.00 H new ATOM 0 HA ALA A 64 14.589 1.654 18.490 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.864 2.576 18.702 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.805 3.679 17.791 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.207 4.031 19.489 1.00 0.00 H new ATOM 970 N GLY A 65 15.039 2.505 21.666 1.00 0.00 N ATOM 971 CA GLY A 65 15.169 1.972 23.019 1.00 0.00 C ATOM 972 C GLY A 65 14.037 1.006 23.381 1.00 0.00 C ATOM 973 O GLY A 65 14.259 0.055 24.131 1.00 0.00 O ATOM 0 H GLY A 65 14.983 3.523 21.634 1.00 0.00 H new ATOM 0 HA2 GLY A 65 16.125 1.457 23.113 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.180 2.797 23.731 1.00 0.00 H new ATOM 977 N LYS A 66 12.845 1.200 22.805 1.00 0.00 N ATOM 978 CA LYS A 66 11.640 0.409 23.048 1.00 0.00 C ATOM 979 C LYS A 66 11.856 -1.074 22.739 1.00 0.00 C ATOM 980 O LYS A 66 11.210 -1.913 23.369 1.00 0.00 O ATOM 981 CB LYS A 66 10.483 1.008 22.220 1.00 0.00 C ATOM 982 CG LYS A 66 9.101 0.882 22.888 1.00 0.00 C ATOM 983 CD LYS A 66 8.180 2.079 22.579 1.00 0.00 C ATOM 984 CE LYS A 66 7.771 2.180 21.101 1.00 0.00 C ATOM 985 NZ LYS A 66 6.988 3.412 20.811 1.00 0.00 N ATOM 0 H LYS A 66 12.691 1.946 22.127 1.00 0.00 H new ATOM 0 HA LYS A 66 11.387 0.456 24.107 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.691 2.062 22.035 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.452 0.514 21.249 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.621 -0.037 22.551 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.230 0.797 23.967 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.281 2.002 23.191 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.686 3.000 22.870 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.665 2.166 20.478 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.180 1.305 20.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.354 3.239 20.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.424 3.669 21.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.638 4.190 20.579 1.00 0.00 H new ATOM 999 N TYR A 67 12.791 -1.397 21.836 1.00 0.00 N ATOM 1000 CA TYR A 67 13.154 -2.778 21.491 1.00 0.00 C ATOM 1001 C TYR A 67 14.653 -3.045 21.693 1.00 0.00 C ATOM 1002 O TYR A 67 15.160 -4.076 21.245 1.00 0.00 O ATOM 1003 CB TYR A 67 12.717 -3.107 20.052 1.00 0.00 C ATOM 1004 CG TYR A 67 11.455 -2.401 19.606 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.196 -2.806 20.089 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.569 -1.251 18.808 1.00 0.00 C ATOM 1007 CE1 TYR A 67 9.052 -2.044 19.792 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.437 -0.482 18.522 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.171 -0.865 19.019 1.00 0.00 C ATOM 1010 OH TYR A 67 8.086 -0.076 18.791 1.00 0.00 O ATOM 0 H TYR A 67 13.323 -0.698 21.318 1.00 0.00 H new ATOM 0 HA TYR A 67 12.620 -3.441 22.173 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.526 -2.844 19.370 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.566 -4.183 19.968 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.109 -3.701 20.687 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.532 -0.960 18.415 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.084 -2.358 20.153 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.531 0.409 17.919 1.00 0.00 H new ATOM 0 HH TYR A 67 7.860 -0.098 17.838 1.00 0.00 H new ATOM 1020 N GLY A 68 15.378 -2.128 22.343 1.00 0.00 N ATOM 1021 CA GLY A 68 16.819 -2.235 22.547 1.00 0.00 C ATOM 1022 C GLY A 68 17.611 -2.156 21.237 1.00 0.00 C ATOM 1023 O GLY A 68 18.682 -2.756 21.138 1.00 0.00 O ATOM 0 H GLY A 68 14.972 -1.283 22.745 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.147 -1.438 23.214 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.042 -3.179 23.045 1.00 0.00 H new ATOM 1027 N VAL A 69 17.096 -1.452 20.224 1.00 0.00 N ATOM 1028 CA VAL A 69 17.842 -1.132 19.013 1.00 0.00 C ATOM 1029 C VAL A 69 18.985 -0.196 19.431 1.00 0.00 C ATOM 1030 O VAL A 69 18.741 0.841 20.055 1.00 0.00 O ATOM 1031 CB VAL A 69 16.908 -0.495 17.957 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.655 -0.180 16.654 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.688 -1.377 17.640 1.00 0.00 C ATOM 0 H VAL A 69 16.143 -1.088 20.226 1.00 0.00 H new ATOM 0 HA VAL A 69 18.255 -2.025 18.545 1.00 0.00 H new ATOM 0 HB VAL A 69 16.553 0.435 18.401 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.965 0.266 15.938 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.466 0.518 16.859 1.00 0.00 H new ATOM 0 HG13 VAL A 69 18.065 -1.100 16.238 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.066 -0.883 16.894 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.025 -2.339 17.253 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.107 -1.535 18.549 1.00 0.00 H new ATOM 1043 N MET A 70 20.224 -0.563 19.095 1.00 0.00 N ATOM 1044 CA MET A 70 21.439 0.193 19.424 1.00 0.00 C ATOM 1045 C MET A 70 22.388 0.291 18.215 1.00 0.00 C ATOM 1046 O MET A 70 23.474 0.866 18.325 1.00 0.00 O ATOM 1047 CB MET A 70 22.150 -0.463 20.622 1.00 0.00 C ATOM 1048 CG MET A 70 21.344 -0.359 21.924 1.00 0.00 C ATOM 1049 SD MET A 70 22.123 -1.108 23.385 1.00 0.00 S ATOM 1050 CE MET A 70 23.499 0.042 23.667 1.00 0.00 C ATOM 0 H MET A 70 20.417 -1.417 18.572 1.00 0.00 H new ATOM 0 HA MET A 70 21.149 1.209 19.692 1.00 0.00 H new ATOM 0 HB2 MET A 70 22.335 -1.514 20.398 1.00 0.00 H new ATOM 0 HB3 MET A 70 23.122 0.009 20.764 1.00 0.00 H new ATOM 0 HG2 MET A 70 21.157 0.694 22.133 1.00 0.00 H new ATOM 0 HG3 MET A 70 20.373 -0.830 21.769 1.00 0.00 H new ATOM 0 HE1 MET A 70 23.998 -0.210 24.602 1.00 0.00 H new ATOM 0 HE2 MET A 70 24.210 -0.033 22.844 1.00 0.00 H new ATOM 0 HE3 MET A 70 23.116 1.061 23.724 1.00 0.00 H new ATOM 1060 N SER A 71 21.971 -0.235 17.061 1.00 0.00 N ATOM 1061 CA SER A 71 22.693 -0.240 15.801 1.00 0.00 C ATOM 1062 C SER A 71 21.669 -0.072 14.676 1.00 0.00 C ATOM 1063 O SER A 71 20.477 -0.316 14.890 1.00 0.00 O ATOM 1064 CB SER A 71 23.461 -1.564 15.638 1.00 0.00 C ATOM 1065 OG SER A 71 24.325 -1.817 16.739 1.00 0.00 O ATOM 0 H SER A 71 21.064 -0.695 16.984 1.00 0.00 H new ATOM 0 HA SER A 71 23.419 0.573 15.772 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.751 -2.385 15.538 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.045 -1.534 14.718 1.00 0.00 H new ATOM 0 HG SER A 71 24.793 -2.667 16.599 1.00 0.00 H new ATOM 1071 N ILE A 72 22.120 0.314 13.482 1.00 0.00 N ATOM 1072 CA ILE A 72 21.290 0.447 12.286 1.00 0.00 C ATOM 1073 C ILE A 72 22.104 -0.031 11.063 1.00 0.00 C ATOM 1074 O ILE A 72 23.337 0.028 11.120 1.00 0.00 O ATOM 1075 CB ILE A 72 20.764 1.896 12.126 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.887 2.958 12.089 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.731 2.231 13.222 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.385 4.349 11.686 1.00 0.00 C ATOM 0 H ILE A 72 23.099 0.549 13.316 1.00 0.00 H new ATOM 0 HA ILE A 72 20.403 -0.181 12.376 1.00 0.00 H new ATOM 0 HB ILE A 72 20.275 1.934 11.152 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.355 3.018 13.072 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.658 2.639 11.387 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.377 3.253 13.088 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.889 1.543 13.151 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.197 2.134 14.203 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.220 5.049 11.679 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.942 4.302 10.691 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.635 4.686 12.401 1.00 0.00 H new ATOM 1090 N PRO A 73 21.475 -0.500 9.963 1.00 0.00 N ATOM 1091 CA PRO A 73 20.037 -0.679 9.797 1.00 0.00 C ATOM 1092 C PRO A 73 19.530 -1.793 10.709 1.00 0.00 C ATOM 1093 O PRO A 73 20.178 -2.835 10.845 1.00 0.00 O ATOM 1094 CB PRO A 73 19.829 -1.043 8.321 1.00 0.00 C ATOM 1095 CG PRO A 73 21.146 -1.702 7.921 1.00 0.00 C ATOM 1096 CD PRO A 73 22.179 -0.976 8.780 1.00 0.00 C ATOM 0 HA PRO A 73 19.484 0.222 10.064 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.986 -1.722 8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.623 -0.160 7.716 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.137 -2.773 8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.350 -1.579 6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 73 22.993 -1.646 9.057 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.623 -0.145 8.232 1.00 0.00 H new ATOM 1104 N THR A 74 18.358 -1.581 11.300 1.00 0.00 N ATOM 1105 CA THR A 74 17.677 -2.594 12.092 1.00 0.00 C ATOM 1106 C THR A 74 16.230 -2.635 11.615 1.00 0.00 C ATOM 1107 O THR A 74 15.656 -1.611 11.243 1.00 0.00 O ATOM 1108 CB THR A 74 17.858 -2.294 13.590 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.219 -2.468 13.926 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.043 -3.229 14.489 1.00 0.00 C ATOM 0 H THR A 74 17.853 -0.697 11.241 1.00 0.00 H new ATOM 0 HA THR A 74 18.097 -3.591 11.958 1.00 0.00 H new ATOM 0 HB THR A 74 17.513 -1.273 13.754 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.644 -1.592 14.035 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.212 -2.968 15.534 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.983 -3.125 14.256 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.353 -4.260 14.318 1.00 0.00 H new ATOM 1118 N LEU A 75 15.649 -3.830 11.586 1.00 0.00 N ATOM 1119 CA LEU A 75 14.369 -4.100 10.963 1.00 0.00 C ATOM 1120 C LEU A 75 13.483 -4.714 12.030 1.00 0.00 C ATOM 1121 O LEU A 75 13.876 -5.699 12.658 1.00 0.00 O ATOM 1122 CB LEU A 75 14.538 -5.069 9.780 1.00 0.00 C ATOM 1123 CG LEU A 75 15.480 -4.598 8.654 1.00 0.00 C ATOM 1124 CD1 LEU A 75 15.571 -5.692 7.587 1.00 0.00 C ATOM 1125 CD2 LEU A 75 15.046 -3.281 8.005 1.00 0.00 C ATOM 0 H LEU A 75 16.072 -4.657 12.008 1.00 0.00 H new ATOM 0 HA LEU A 75 13.927 -3.184 10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.909 -6.019 10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.555 -5.261 9.349 1.00 0.00 H new ATOM 0 HG LEU A 75 16.453 -4.412 9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.236 -5.366 6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.963 -6.605 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.579 -5.885 7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.754 -3.010 7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.053 -3.399 7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.021 -2.495 8.759 1.00 0.00 H new ATOM 1137 N LEU A 76 12.296 -4.151 12.237 1.00 0.00 N ATOM 1138 CA LEU A 76 11.323 -4.669 13.195 1.00 0.00 C ATOM 1139 C LEU A 76 10.161 -5.080 12.318 1.00 0.00 C ATOM 1140 O LEU A 76 9.646 -4.259 11.561 1.00 0.00 O ATOM 1141 CB LEU A 76 10.910 -3.597 14.231 1.00 0.00 C ATOM 1142 CG LEU A 76 11.831 -3.379 15.454 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.709 -4.547 16.435 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.304 -3.195 15.080 1.00 0.00 C ATOM 0 H LEU A 76 11.980 -3.317 11.742 1.00 0.00 H new ATOM 0 HA LEU A 76 11.714 -5.491 13.795 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.818 -2.645 13.708 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.918 -3.855 14.601 1.00 0.00 H new ATOM 0 HG LEU A 76 11.492 -2.453 15.919 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.365 -4.375 17.289 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.678 -4.627 16.779 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.997 -5.472 15.937 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.893 -3.047 15.985 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.660 -4.082 14.556 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.409 -2.325 14.432 1.00 0.00 H new ATOM 1156 N VAL A 77 9.775 -6.347 12.371 1.00 0.00 N ATOM 1157 CA VAL A 77 8.600 -6.821 11.664 1.00 0.00 C ATOM 1158 C VAL A 77 7.499 -6.736 12.703 1.00 0.00 C ATOM 1159 O VAL A 77 7.667 -7.241 13.818 1.00 0.00 O ATOM 1160 CB VAL A 77 8.779 -8.259 11.143 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.701 -8.593 10.098 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.156 -8.512 10.513 1.00 0.00 C ATOM 0 H VAL A 77 10.265 -7.068 12.901 1.00 0.00 H new ATOM 0 HA VAL A 77 8.386 -6.232 10.772 1.00 0.00 H new ATOM 0 HB VAL A 77 8.686 -8.902 12.018 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.844 -9.613 9.741 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.714 -8.502 10.551 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.780 -7.901 9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.214 -9.544 10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.299 -7.838 9.668 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.934 -8.334 11.255 1.00 0.00 H new ATOM 1172 N LEU A 78 6.382 -6.108 12.361 1.00 0.00 N ATOM 1173 CA LEU A 78 5.235 -5.966 13.233 1.00 0.00 C ATOM 1174 C LEU A 78 4.046 -6.568 12.511 1.00 0.00 C ATOM 1175 O LEU A 78 4.019 -6.620 11.280 1.00 0.00 O ATOM 1176 CB LEU A 78 4.983 -4.492 13.608 1.00 0.00 C ATOM 1177 CG LEU A 78 6.150 -3.855 14.393 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.092 -3.068 13.474 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.644 -2.944 15.515 1.00 0.00 C ATOM 0 H LEU A 78 6.250 -5.675 11.447 1.00 0.00 H new ATOM 0 HA LEU A 78 5.411 -6.486 14.175 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.809 -3.917 12.698 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.074 -4.426 14.205 1.00 0.00 H new ATOM 0 HG LEU A 78 6.709 -4.679 14.837 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.899 -2.636 14.065 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.511 -3.738 12.723 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.536 -2.271 12.980 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.494 -2.514 16.045 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.039 -2.144 15.089 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.039 -3.525 16.211 1.00 0.00 H new ATOM 1191 N LYS A 79 3.052 -7.011 13.272 1.00 0.00 N ATOM 1192 CA LYS A 79 1.800 -7.497 12.727 1.00 0.00 C ATOM 1193 C LYS A 79 0.694 -6.950 13.605 1.00 0.00 C ATOM 1194 O LYS A 79 0.703 -7.169 14.815 1.00 0.00 O ATOM 1195 CB LYS A 79 1.812 -9.032 12.642 1.00 0.00 C ATOM 1196 CG LYS A 79 0.545 -9.557 11.957 1.00 0.00 C ATOM 1197 CD LYS A 79 0.619 -11.062 11.672 1.00 0.00 C ATOM 1198 CE LYS A 79 -0.660 -11.510 10.952 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.589 -12.922 10.503 1.00 0.00 N ATOM 0 H LYS A 79 3.097 -7.041 14.291 1.00 0.00 H new ATOM 0 HA LYS A 79 1.640 -7.154 11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.691 -9.362 12.089 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.889 -9.454 13.644 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.319 -9.351 12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.391 -9.019 11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.492 -11.284 11.058 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.737 -11.614 12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.512 -11.386 11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.834 -10.866 10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.475 -13.178 10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.208 -13.037 9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.450 -13.542 11.327 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.240 -6.231 12.982 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.435 -5.674 13.617 1.00 0.00 C ATOM 1215 C ASP A 80 -1.113 -4.896 14.909 1.00 0.00 C ATOM 1216 O ASP A 80 -1.840 -4.957 15.902 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.496 -6.775 13.793 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.854 -6.223 14.265 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.330 -5.208 13.707 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.487 -6.839 15.152 1.00 0.00 O ATOM 0 H ASP A 80 -0.184 -6.013 11.987 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.863 -4.920 12.956 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.631 -7.299 12.846 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.136 -7.508 14.515 1.00 0.00 H new ATOM 1225 N GLY A 81 0.015 -4.178 14.903 1.00 0.00 N ATOM 1226 CA GLY A 81 0.365 -3.198 15.926 1.00 0.00 C ATOM 1227 C GLY A 81 1.441 -3.644 16.916 1.00 0.00 C ATOM 1228 O GLY A 81 1.842 -2.827 17.747 1.00 0.00 O ATOM 0 H GLY A 81 0.721 -4.266 14.172 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.704 -2.287 15.432 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.536 -2.942 16.484 1.00 0.00 H new ATOM 1232 N GLU A 82 1.930 -4.889 16.859 1.00 0.00 N ATOM 1233 CA GLU A 82 2.915 -5.406 17.806 1.00 0.00 C ATOM 1234 C GLU A 82 4.056 -6.098 17.062 1.00 0.00 C ATOM 1235 O GLU A 82 3.850 -6.615 15.963 1.00 0.00 O ATOM 1236 CB GLU A 82 2.205 -6.328 18.809 1.00 0.00 C ATOM 1237 CG GLU A 82 1.763 -7.694 18.260 1.00 0.00 C ATOM 1238 CD GLU A 82 1.049 -8.525 19.340 1.00 0.00 C ATOM 1239 OE1 GLU A 82 -0.192 -8.427 19.476 1.00 0.00 O ATOM 1240 OE2 GLU A 82 1.718 -9.300 20.062 1.00 0.00 O ATOM 0 H GLU A 82 1.650 -5.566 16.150 1.00 0.00 H new ATOM 0 HA GLU A 82 3.369 -4.590 18.369 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.871 -6.495 19.655 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.326 -5.809 19.192 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.096 -7.548 17.410 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.632 -8.240 17.893 1.00 0.00 H new ATOM 1247 N VAL A 83 5.263 -6.092 17.636 1.00 0.00 N ATOM 1248 CA VAL A 83 6.427 -6.743 17.044 1.00 0.00 C ATOM 1249 C VAL A 83 6.144 -8.238 16.946 1.00 0.00 C ATOM 1250 O VAL A 83 5.708 -8.874 17.910 1.00 0.00 O ATOM 1251 CB VAL A 83 7.714 -6.426 17.837 1.00 0.00 C ATOM 1252 CG1 VAL A 83 8.955 -7.034 17.160 1.00 0.00 C ATOM 1253 CG2 VAL A 83 7.941 -4.911 17.956 1.00 0.00 C ATOM 0 H VAL A 83 5.457 -5.633 18.526 1.00 0.00 H new ATOM 0 HA VAL A 83 6.603 -6.357 16.040 1.00 0.00 H new ATOM 0 HB VAL A 83 7.577 -6.862 18.827 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.843 -6.792 17.744 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.843 -8.117 17.101 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.059 -6.624 16.155 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.855 -4.723 18.520 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.033 -4.478 16.960 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.096 -4.456 18.473 1.00 0.00 H new ATOM 1263 N VAL A 84 6.422 -8.783 15.768 1.00 0.00 N ATOM 1264 CA VAL A 84 6.244 -10.177 15.426 1.00 0.00 C ATOM 1265 C VAL A 84 7.597 -10.794 15.012 1.00 0.00 C ATOM 1266 O VAL A 84 7.752 -12.005 15.165 1.00 0.00 O ATOM 1267 CB VAL A 84 5.095 -10.274 14.390 1.00 0.00 C ATOM 1268 CG1 VAL A 84 5.544 -10.018 12.946 1.00 0.00 C ATOM 1269 CG2 VAL A 84 4.337 -11.600 14.497 1.00 0.00 C ATOM 0 H VAL A 84 6.795 -8.234 14.993 1.00 0.00 H new ATOM 0 HA VAL A 84 5.931 -10.785 16.275 1.00 0.00 H new ATOM 0 HB VAL A 84 4.411 -9.466 14.648 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.687 -10.103 12.278 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.967 -9.016 12.869 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.298 -10.753 12.664 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.541 -11.625 13.753 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.024 -12.427 14.321 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.905 -11.693 15.494 1.00 0.00 H new ATOM 1279 N GLU A 85 8.600 -10.001 14.587 1.00 0.00 N ATOM 1280 CA GLU A 85 9.955 -10.498 14.297 1.00 0.00 C ATOM 1281 C GLU A 85 10.957 -9.333 14.330 1.00 0.00 C ATOM 1282 O GLU A 85 10.569 -8.168 14.439 1.00 0.00 O ATOM 1283 CB GLU A 85 10.006 -11.219 12.927 1.00 0.00 C ATOM 1284 CG GLU A 85 10.294 -12.728 13.000 1.00 0.00 C ATOM 1285 CD GLU A 85 11.732 -13.111 13.376 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.338 -12.473 14.265 1.00 0.00 O ATOM 1287 OE2 GLU A 85 12.229 -14.111 12.807 1.00 0.00 O ATOM 0 H GLU A 85 8.491 -8.998 14.436 1.00 0.00 H new ATOM 0 HA GLU A 85 10.226 -11.224 15.064 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.053 -11.070 12.419 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.773 -10.747 12.313 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.616 -13.174 13.728 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.060 -13.172 12.032 1.00 0.00 H new ATOM 1294 N THR A 86 12.257 -9.618 14.246 1.00 0.00 N ATOM 1295 CA THR A 86 13.327 -8.623 14.220 1.00 0.00 C ATOM 1296 C THR A 86 14.475 -9.136 13.334 1.00 0.00 C ATOM 1297 O THR A 86 14.678 -10.346 13.206 1.00 0.00 O ATOM 1298 CB THR A 86 13.783 -8.352 15.668 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.669 -8.050 16.491 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.783 -7.198 15.804 1.00 0.00 C ATOM 0 H THR A 86 12.603 -10.576 14.193 1.00 0.00 H new ATOM 0 HA THR A 86 12.979 -7.682 13.793 1.00 0.00 H new ATOM 0 HB THR A 86 14.281 -9.269 15.981 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.975 -7.882 17.407 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.053 -7.072 16.852 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.678 -7.421 15.223 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.330 -6.278 15.433 1.00 0.00 H new ATOM 1308 N SER A 87 15.230 -8.225 12.718 1.00 0.00 N ATOM 1309 CA SER A 87 16.477 -8.497 12.006 1.00 0.00 C ATOM 1310 C SER A 87 17.414 -7.296 12.158 1.00 0.00 C ATOM 1311 O SER A 87 16.962 -6.182 12.417 1.00 0.00 O ATOM 1312 CB SER A 87 16.176 -8.793 10.533 1.00 0.00 C ATOM 1313 OG SER A 87 15.782 -10.145 10.393 1.00 0.00 O ATOM 0 H SER A 87 14.978 -7.237 12.702 1.00 0.00 H new ATOM 0 HA SER A 87 16.970 -9.373 12.428 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.386 -8.134 10.173 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.058 -8.595 9.924 1.00 0.00 H new ATOM 0 HG SER A 87 15.388 -10.460 11.233 1.00 0.00 H new ATOM 1319 N VAL A 88 18.721 -7.512 12.006 1.00 0.00 N ATOM 1320 CA VAL A 88 19.748 -6.484 12.161 1.00 0.00 C ATOM 1321 C VAL A 88 20.718 -6.631 10.983 1.00 0.00 C ATOM 1322 O VAL A 88 21.012 -7.754 10.561 1.00 0.00 O ATOM 1323 CB VAL A 88 20.450 -6.639 13.532 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.440 -5.494 13.798 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.456 -6.694 14.707 1.00 0.00 C ATOM 0 H VAL A 88 19.102 -8.427 11.766 1.00 0.00 H new ATOM 0 HA VAL A 88 19.321 -5.481 12.149 1.00 0.00 H new ATOM 0 HB VAL A 88 20.983 -7.588 13.473 1.00 0.00 H new ATOM 0 HG11 VAL A 88 21.912 -5.639 14.770 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.204 -5.486 13.021 1.00 0.00 H new ATOM 0 HG13 VAL A 88 20.907 -4.543 13.792 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.004 -6.803 15.643 1.00 0.00 H new ATOM 0 HG22 VAL A 88 18.873 -5.774 14.734 1.00 0.00 H new ATOM 0 HG23 VAL A 88 18.786 -7.544 14.578 1.00 0.00 H new ATOM 1335 N GLY A 89 21.225 -5.510 10.465 1.00 0.00 N ATOM 1336 CA GLY A 89 22.159 -5.497 9.348 1.00 0.00 C ATOM 1337 C GLY A 89 21.456 -5.761 8.014 1.00 0.00 C ATOM 1338 O GLY A 89 20.225 -5.805 7.931 1.00 0.00 O ATOM 0 H GLY A 89 20.994 -4.580 10.815 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.664 -4.532 9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.928 -6.252 9.509 1.00 0.00 H new ATOM 1342 N PHE A 90 22.257 -5.892 6.955 1.00 0.00 N ATOM 1343 CA PHE A 90 21.770 -6.158 5.605 1.00 0.00 C ATOM 1344 C PHE A 90 21.069 -7.524 5.535 1.00 0.00 C ATOM 1345 O PHE A 90 21.467 -8.472 6.219 1.00 0.00 O ATOM 1346 CB PHE A 90 22.953 -6.095 4.624 1.00 0.00 C ATOM 1347 CG PHE A 90 22.567 -6.258 3.163 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.204 -5.132 2.400 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.558 -7.536 2.568 1.00 0.00 C ATOM 1350 CE1 PHE A 90 21.820 -5.283 1.056 1.00 0.00 C ATOM 1351 CE2 PHE A 90 22.169 -7.687 1.226 1.00 0.00 C ATOM 1352 CZ PHE A 90 21.798 -6.561 0.469 1.00 0.00 C ATOM 0 H PHE A 90 23.272 -5.815 7.014 1.00 0.00 H new ATOM 0 HA PHE A 90 21.035 -5.401 5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.462 -5.139 4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.669 -6.874 4.887 1.00 0.00 H new ATOM 0 HD1 PHE A 90 22.221 -4.150 2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.851 -8.401 3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 90 21.542 -4.417 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 90 22.155 -8.668 0.776 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.497 -6.678 -0.562 1.00 0.00 H new ATOM 1362 N LYS A 91 20.075 -7.644 4.650 1.00 0.00 N ATOM 1363 CA LYS A 91 19.441 -8.898 4.246 1.00 0.00 C ATOM 1364 C LYS A 91 19.095 -8.750 2.759 1.00 0.00 C ATOM 1365 O LYS A 91 18.603 -7.685 2.378 1.00 0.00 O ATOM 1366 CB LYS A 91 18.166 -9.188 5.059 1.00 0.00 C ATOM 1367 CG LYS A 91 18.430 -10.138 6.238 1.00 0.00 C ATOM 1368 CD LYS A 91 17.109 -10.682 6.803 1.00 0.00 C ATOM 1369 CE LYS A 91 17.314 -11.900 7.723 1.00 0.00 C ATOM 1370 NZ LYS A 91 17.875 -11.556 9.051 1.00 0.00 N ATOM 0 H LYS A 91 19.675 -6.834 4.177 1.00 0.00 H new ATOM 0 HA LYS A 91 20.117 -9.734 4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.757 -8.251 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.412 -9.625 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 91 19.060 -10.965 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.977 -9.612 7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.604 -9.892 7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.453 -10.961 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.358 -12.404 7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.979 -12.609 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.144 -12.428 9.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.714 -10.954 8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 17.161 -11.044 9.608 1.00 0.00 H new ATOM 1384 N PRO A 92 19.333 -9.776 1.923 1.00 0.00 N ATOM 1385 CA PRO A 92 18.925 -9.752 0.524 1.00 0.00 C ATOM 1386 C PRO A 92 17.400 -9.855 0.415 1.00 0.00 C ATOM 1387 O PRO A 92 16.727 -10.323 1.337 1.00 0.00 O ATOM 1388 CB PRO A 92 19.634 -10.948 -0.123 1.00 0.00 C ATOM 1389 CG PRO A 92 19.780 -11.942 1.028 1.00 0.00 C ATOM 1390 CD PRO A 92 19.990 -11.037 2.242 1.00 0.00 C ATOM 0 HA PRO A 92 19.197 -8.823 0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 92 19.049 -11.366 -0.942 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.603 -10.665 -0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.892 -12.565 1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.624 -12.614 0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.562 -11.483 3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 92 21.052 -10.885 2.436 1.00 0.00 H new ATOM 1398 N LYS A 93 16.848 -9.467 -0.739 1.00 0.00 N ATOM 1399 CA LYS A 93 15.400 -9.458 -0.967 1.00 0.00 C ATOM 1400 C LYS A 93 14.747 -10.823 -0.804 1.00 0.00 C ATOM 1401 O LYS A 93 13.578 -10.882 -0.437 1.00 0.00 O ATOM 1402 CB LYS A 93 15.039 -8.840 -2.328 1.00 0.00 C ATOM 1403 CG LYS A 93 15.812 -9.390 -3.535 1.00 0.00 C ATOM 1404 CD LYS A 93 15.475 -8.560 -4.780 1.00 0.00 C ATOM 1405 CE LYS A 93 16.229 -9.105 -6.001 1.00 0.00 C ATOM 1406 NZ LYS A 93 15.808 -8.439 -7.256 1.00 0.00 N ATOM 0 H LYS A 93 17.393 -9.150 -1.541 1.00 0.00 H new ATOM 0 HA LYS A 93 14.990 -8.825 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.974 -8.990 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.205 -7.764 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.884 -9.355 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.552 -10.436 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.401 -8.588 -4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.743 -7.517 -4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.300 -8.965 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.056 -10.178 -6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.556 -8.542 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.932 -8.878 -7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.640 -7.429 -7.074 1.00 0.00 H new ATOM 1420 N GLU A 94 15.459 -11.913 -1.072 1.00 0.00 N ATOM 1421 CA GLU A 94 14.936 -13.253 -0.839 1.00 0.00 C ATOM 1422 C GLU A 94 14.713 -13.468 0.663 1.00 0.00 C ATOM 1423 O GLU A 94 13.617 -13.846 1.076 1.00 0.00 O ATOM 1424 CB GLU A 94 15.894 -14.291 -1.444 1.00 0.00 C ATOM 1425 CG GLU A 94 15.348 -15.721 -1.331 1.00 0.00 C ATOM 1426 CD GLU A 94 16.275 -16.735 -2.025 1.00 0.00 C ATOM 1427 OE1 GLU A 94 17.215 -17.253 -1.379 1.00 0.00 O ATOM 1428 OE2 GLU A 94 16.065 -17.041 -3.222 1.00 0.00 O ATOM 0 H GLU A 94 16.405 -11.893 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 94 13.970 -13.373 -1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.069 -14.053 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.858 -14.231 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.238 -15.987 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.355 -15.769 -1.778 1.00 0.00 H new ATOM 1435 N ALA A 95 15.720 -13.169 1.491 1.00 0.00 N ATOM 1436 CA ALA A 95 15.626 -13.330 2.936 1.00 0.00 C ATOM 1437 C ALA A 95 14.555 -12.407 3.517 1.00 0.00 C ATOM 1438 O ALA A 95 13.802 -12.811 4.400 1.00 0.00 O ATOM 1439 CB ALA A 95 16.987 -13.059 3.588 1.00 0.00 C ATOM 0 H ALA A 95 16.620 -12.809 1.173 1.00 0.00 H new ATOM 0 HA ALA A 95 15.336 -14.358 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.904 -13.182 4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.724 -13.761 3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.302 -12.040 3.362 1.00 0.00 H new ATOM 1445 N LEU A 96 14.462 -11.179 3.005 1.00 0.00 N ATOM 1446 CA LEU A 96 13.439 -10.227 3.412 1.00 0.00 C ATOM 1447 C LEU A 96 12.044 -10.729 3.056 1.00 0.00 C ATOM 1448 O LEU A 96 11.145 -10.654 3.887 1.00 0.00 O ATOM 1449 CB LEU A 96 13.684 -8.866 2.754 1.00 0.00 C ATOM 1450 CG LEU A 96 14.905 -8.081 3.262 1.00 0.00 C ATOM 1451 CD1 LEU A 96 15.031 -6.786 2.456 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.807 -7.761 4.757 1.00 0.00 C ATOM 0 H LEU A 96 15.099 -10.820 2.294 1.00 0.00 H new ATOM 0 HA LEU A 96 13.499 -10.118 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.796 -9.019 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.796 -8.250 2.897 1.00 0.00 H new ATOM 0 HG LEU A 96 15.790 -8.702 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.894 -6.221 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.160 -7.025 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 96 14.129 -6.188 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.692 -7.206 5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.917 -7.159 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.742 -8.689 5.324 1.00 0.00 H new ATOM 1464 N GLN A 97 11.845 -11.263 1.851 1.00 0.00 N ATOM 1465 CA GLN A 97 10.558 -11.833 1.474 1.00 0.00 C ATOM 1466 C GLN A 97 10.208 -12.997 2.385 1.00 0.00 C ATOM 1467 O GLN A 97 9.055 -13.107 2.782 1.00 0.00 O ATOM 1468 CB GLN A 97 10.555 -12.295 0.009 1.00 0.00 C ATOM 1469 CG GLN A 97 10.121 -11.160 -0.918 1.00 0.00 C ATOM 1470 CD GLN A 97 10.501 -11.436 -2.370 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.667 -11.782 -3.204 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.776 -11.298 -2.697 1.00 0.00 N ATOM 0 H GLN A 97 12.558 -11.311 1.123 1.00 0.00 H new ATOM 0 HA GLN A 97 9.806 -11.052 1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.551 -12.638 -0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.881 -13.144 -0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 97 9.042 -11.023 -0.845 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.583 -10.228 -0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.455 -11.010 -1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.080 -11.480 -3.654 1.00 0.00 H new ATOM 1481 N GLU A 98 11.171 -13.835 2.756 1.00 0.00 N ATOM 1482 CA GLU A 98 10.908 -14.955 3.652 1.00 0.00 C ATOM 1483 C GLU A 98 10.506 -14.446 5.042 1.00 0.00 C ATOM 1484 O GLU A 98 9.565 -14.964 5.642 1.00 0.00 O ATOM 1485 CB GLU A 98 12.124 -15.893 3.726 1.00 0.00 C ATOM 1486 CG GLU A 98 12.306 -16.749 2.463 1.00 0.00 C ATOM 1487 CD GLU A 98 11.221 -17.834 2.328 1.00 0.00 C ATOM 1488 OE1 GLU A 98 11.382 -18.934 2.905 1.00 0.00 O ATOM 1489 OE2 GLU A 98 10.206 -17.607 1.632 1.00 0.00 O ATOM 0 H GLU A 98 12.141 -13.759 2.450 1.00 0.00 H new ATOM 0 HA GLU A 98 10.074 -15.531 3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.024 -15.299 3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.016 -16.549 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.283 -16.105 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.288 -17.222 2.486 1.00 0.00 H new ATOM 1496 N LEU A 99 11.170 -13.394 5.524 1.00 0.00 N ATOM 1497 CA LEU A 99 10.906 -12.735 6.790 1.00 0.00 C ATOM 1498 C LEU A 99 9.499 -12.116 6.819 1.00 0.00 C ATOM 1499 O LEU A 99 8.842 -12.152 7.856 1.00 0.00 O ATOM 1500 CB LEU A 99 12.026 -11.702 6.982 1.00 0.00 C ATOM 1501 CG LEU A 99 11.910 -10.844 8.241 1.00 0.00 C ATOM 1502 CD1 LEU A 99 12.002 -11.694 9.512 1.00 0.00 C ATOM 1503 CD2 LEU A 99 13.026 -9.794 8.230 1.00 0.00 C ATOM 0 H LEU A 99 11.941 -12.964 5.013 1.00 0.00 H new ATOM 0 HA LEU A 99 10.911 -13.442 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.982 -12.226 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 99 12.044 -11.044 6.113 1.00 0.00 H new ATOM 0 HG LEU A 99 10.935 -10.357 8.243 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.916 -11.050 10.387 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.195 -12.426 9.519 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.961 -12.211 9.535 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.953 -9.176 9.125 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.995 -10.293 8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.925 -9.165 7.345 1.00 0.00 H new ATOM 1515 N VAL A 100 9.008 -11.587 5.695 1.00 0.00 N ATOM 1516 CA VAL A 100 7.617 -11.171 5.537 1.00 0.00 C ATOM 1517 C VAL A 100 6.706 -12.411 5.525 1.00 0.00 C ATOM 1518 O VAL A 100 5.728 -12.494 6.269 1.00 0.00 O ATOM 1519 CB VAL A 100 7.486 -10.346 4.231 1.00 0.00 C ATOM 1520 CG1 VAL A 100 6.036 -9.975 3.891 1.00 0.00 C ATOM 1521 CG2 VAL A 100 8.310 -9.050 4.267 1.00 0.00 C ATOM 0 H VAL A 100 9.574 -11.435 4.861 1.00 0.00 H new ATOM 0 HA VAL A 100 7.307 -10.543 6.372 1.00 0.00 H new ATOM 0 HB VAL A 100 7.874 -11.009 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.015 -9.399 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.448 -10.884 3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.614 -9.378 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.182 -8.511 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.970 -8.425 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.364 -9.292 4.405 1.00 0.00 H new ATOM 1531 N ASN A 101 7.045 -13.389 4.682 1.00 0.00 N ATOM 1532 CA ASN A 101 6.220 -14.540 4.326 1.00 0.00 C ATOM 1533 C ASN A 101 5.831 -15.367 5.543 1.00 0.00 C ATOM 1534 O ASN A 101 4.683 -15.798 5.643 1.00 0.00 O ATOM 1535 CB ASN A 101 6.964 -15.407 3.301 1.00 0.00 C ATOM 1536 CG ASN A 101 6.124 -16.574 2.801 1.00 0.00 C ATOM 1537 OD1 ASN A 101 5.956 -17.585 3.475 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.602 -16.463 1.592 1.00 0.00 N ATOM 0 H ASN A 101 7.948 -13.398 4.207 1.00 0.00 H new ATOM 0 HA ASN A 101 5.294 -14.167 3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.260 -14.788 2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.880 -15.790 3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 101 5.048 -17.226 1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.753 -15.614 1.047 1.00 0.00 H new ATOM 1545 N LYS A 102 6.750 -15.528 6.499 1.00 0.00 N ATOM 1546 CA LYS A 102 6.512 -16.316 7.712 1.00 0.00 C ATOM 1547 C LYS A 102 5.420 -15.725 8.619 1.00 0.00 C ATOM 1548 O LYS A 102 5.026 -16.390 9.579 1.00 0.00 O ATOM 1549 CB LYS A 102 7.833 -16.580 8.459 1.00 0.00 C ATOM 1550 CG LYS A 102 8.552 -15.307 8.927 1.00 0.00 C ATOM 1551 CD LYS A 102 9.862 -15.558 9.690 1.00 0.00 C ATOM 1552 CE LYS A 102 9.617 -16.155 11.084 1.00 0.00 C ATOM 1553 NZ LYS A 102 10.880 -16.368 11.836 1.00 0.00 N ATOM 0 H LYS A 102 7.682 -15.115 6.454 1.00 0.00 H new ATOM 0 HA LYS A 102 6.114 -17.280 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.629 -17.209 9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.501 -17.143 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.766 -14.686 8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.877 -14.738 9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.493 -16.234 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.408 -14.620 9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.966 -15.490 11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.092 -17.105 10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.684 -16.923 12.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.558 -16.882 11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.284 -15.448 12.104 1.00 0.00 H new ATOM 1567 N HIS A 103 4.907 -14.526 8.318 1.00 0.00 N ATOM 1568 CA HIS A 103 3.820 -13.882 9.058 1.00 0.00 C ATOM 1569 C HIS A 103 2.618 -13.525 8.179 1.00 0.00 C ATOM 1570 O HIS A 103 1.598 -13.087 8.719 1.00 0.00 O ATOM 1571 CB HIS A 103 4.355 -12.635 9.774 1.00 0.00 C ATOM 1572 CG HIS A 103 5.421 -12.973 10.777 1.00 0.00 C ATOM 1573 ND1 HIS A 103 5.255 -13.718 11.925 1.00 0.00 N ATOM 1574 CD2 HIS A 103 6.753 -12.696 10.658 1.00 0.00 C ATOM 1575 CE1 HIS A 103 6.462 -13.880 12.486 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.409 -13.279 11.748 1.00 0.00 N ATOM 0 H HIS A 103 5.245 -13.966 7.535 1.00 0.00 H new ATOM 0 HA HIS A 103 3.455 -14.604 9.788 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.758 -11.940 9.038 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.533 -12.126 10.277 1.00 0.00 H new ATOM 0 HD1 HIS A 103 4.372 -14.081 12.284 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.217 -12.129 9.865 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.647 -14.419 13.404 1.00 0.00 H new ATOM 1584 N LEU A 104 2.698 -13.704 6.856 1.00 0.00 N ATOM 1585 CA LEU A 104 1.552 -13.537 5.973 1.00 0.00 C ATOM 1586 C LEU A 104 0.482 -14.560 6.340 1.00 0.00 C ATOM 1587 O LEU A 104 -0.706 -14.185 6.376 1.00 0.00 O ATOM 1588 CB LEU A 104 1.954 -13.683 4.496 1.00 0.00 C ATOM 1589 CG LEU A 104 2.826 -12.545 3.936 1.00 0.00 C ATOM 1590 CD1 LEU A 104 3.098 -12.799 2.451 1.00 0.00 C ATOM 1591 CD2 LEU A 104 2.186 -11.160 4.100 1.00 0.00 C ATOM 1592 OXT LEU A 104 0.822 -15.743 6.560 1.00 0.00 O ATOM 0 H LEU A 104 3.558 -13.968 6.375 1.00 0.00 H new ATOM 0 HA LEU A 104 1.155 -12.530 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.491 -14.624 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.047 -13.753 3.895 1.00 0.00 H new ATOM 0 HG LEU A 104 3.753 -12.542 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.715 -11.995 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.619 -13.749 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.153 -12.835 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.850 -10.401 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.232 -11.135 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.021 -10.959 5.158 1.00 0.00 H new TER 1604 LEU A 104