USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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 2 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0252) USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= -0.0241 (180deg=-0.152) USER MOD Single : A 9 THR OG1 : rot -13:sc= 0.73 USER MOD Single : A 11 CYS SG : rot 109:sc= 0.432 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.891 USER MOD Single : A 19 TYR OH : rot 11:sc= 1.22 USER MOD Single : A 20 MET CE :methyl 159:sc= -0.11 (180deg=-0.667) USER MOD Single : A 23 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= -0.0559 (180deg=-0.385) USER MOD Single : A 30 LYS NZ :NH3+ -171:sc=-0.00394 (180deg=-0.0777) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc=-0.00739 (180deg=-0.141) USER MOD Single : A 32 MET CE :methyl -156:sc= -0.22 (180deg=-0.871) USER MOD Single : A 34 ASN : amide:sc= -0.0101 K(o=-0.01,f=-5.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.977! C(o=-0.98!,f=-8.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.12 K(o=1.1,f=-0.96) USER MOD Single : A 51 THR OG1 : rot -12:sc= 0.879 USER MOD Single : A 53 LYS NZ :NH3+ -124:sc= 0.515 (180deg=-0.192) USER MOD Single : A 56 ASN : amide:sc= 1.18 K(o=1.2,f=-0.098) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.304 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -2.36! C(o=-4.7!,f=-2.4!) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= 1.21 (180deg=0.873) USER MOD Single : A 78 LYS NZ :NH3+ 145:sc= 1.24 (180deg=0.717) USER MOD Single : A 86 SER OG : rot 180:sc= 0.0909 USER MOD Single : A 90 LYS NZ :NH3+ 129:sc= -0.0588 (180deg=-0.426) USER MOD Single : A 94 LYS NZ :NH3+ 155:sc= 1.24 (180deg=0.778) USER MOD Single : A 97 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -14.327 1.659 -8.014 1.00 0.00 N ATOM 21 CA LYS A 2 -12.888 1.578 -7.827 1.00 0.00 C ATOM 22 C LYS A 2 -12.432 2.540 -6.741 1.00 0.00 C ATOM 23 O LYS A 2 -12.323 3.744 -6.976 1.00 0.00 O ATOM 24 CB LYS A 2 -12.149 1.890 -9.131 1.00 0.00 C ATOM 25 CG LYS A 2 -12.473 0.936 -10.271 1.00 0.00 C ATOM 26 CD LYS A 2 -11.559 1.167 -11.464 1.00 0.00 C ATOM 27 CE LYS A 2 -11.747 2.551 -12.069 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.062 2.695 -12.747 1.00 0.00 N ATOM 0 HA LYS A 2 -12.651 0.559 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.394 2.906 -9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.076 1.864 -8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.371 -0.093 -9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.511 1.069 -10.575 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.521 1.045 -11.154 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.756 0.410 -12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.661 3.303 -11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.948 2.744 -12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.105 3.615 -13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.178 1.932 -13.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.824 2.639 -12.042 1.00 0.00 H new ATOM 42 N ARG A 3 -12.182 2.015 -5.552 1.00 0.00 N ATOM 43 CA ARG A 3 -11.692 2.836 -4.456 1.00 0.00 C ATOM 44 C ARG A 3 -10.220 3.170 -4.697 1.00 0.00 C ATOM 45 O ARG A 3 -9.461 2.335 -5.194 1.00 0.00 O ATOM 46 CB ARG A 3 -11.863 2.111 -3.115 1.00 0.00 C ATOM 47 CG ARG A 3 -11.925 3.048 -1.919 1.00 0.00 C ATOM 48 CD ARG A 3 -13.253 3.791 -1.863 1.00 0.00 C ATOM 49 NE ARG A 3 -13.231 4.880 -0.885 1.00 0.00 N ATOM 50 CZ ARG A 3 -14.200 5.130 -0.002 1.00 0.00 C ATOM 51 NH1 ARG A 3 -15.286 4.365 0.047 1.00 0.00 N ATOM 52 NH2 ARG A 3 -14.073 6.149 0.839 1.00 0.00 N ATOM 0 H ARG A 3 -12.309 1.030 -5.322 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.272 3.758 -4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.776 1.516 -3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.034 1.416 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.787 2.478 -1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.107 3.766 -1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.485 4.194 -2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.049 3.092 -1.609 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.415 5.493 -0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.385 3.578 -0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.021 4.565 0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.239 6.735 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.810 6.346 1.516 1.00 0.00 H new ATOM 66 N LYS A 4 -9.830 4.392 -4.369 1.00 0.00 N ATOM 67 CA LYS A 4 -8.470 4.860 -4.613 1.00 0.00 C ATOM 68 C LYS A 4 -7.583 4.576 -3.405 1.00 0.00 C ATOM 69 O LYS A 4 -7.789 5.144 -2.333 1.00 0.00 O ATOM 70 CB LYS A 4 -8.485 6.362 -4.894 1.00 0.00 C ATOM 71 CG LYS A 4 -9.572 6.799 -5.863 1.00 0.00 C ATOM 72 CD LYS A 4 -9.346 6.258 -7.265 1.00 0.00 C ATOM 73 CE LYS A 4 -10.552 6.513 -8.158 1.00 0.00 C ATOM 74 NZ LYS A 4 -10.972 7.939 -8.142 1.00 0.00 N ATOM 0 H LYS A 4 -10.439 5.083 -3.930 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.068 4.330 -5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.615 6.896 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.515 6.656 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.541 6.459 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.609 7.888 -5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.463 6.727 -7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.147 5.187 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.314 6.218 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.383 5.888 -7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.669 8.104 -8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.399 8.165 -7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.143 8.547 -8.297 1.00 0.00 H new ATOM 88 N ILE A 5 -6.602 3.701 -3.573 1.00 0.00 N ATOM 89 CA ILE A 5 -5.727 3.315 -2.470 1.00 0.00 C ATOM 90 C ILE A 5 -4.265 3.311 -2.913 1.00 0.00 C ATOM 91 O ILE A 5 -3.952 2.905 -4.029 1.00 0.00 O ATOM 92 CB ILE A 5 -6.099 1.905 -1.936 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.572 1.859 -1.512 1.00 0.00 C ATOM 94 CG2 ILE A 5 -5.199 1.511 -0.768 1.00 0.00 C ATOM 95 CD1 ILE A 5 -8.057 0.476 -1.128 1.00 0.00 C ATOM 0 H ILE A 5 -6.390 3.244 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.861 4.048 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.947 1.188 -2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.718 2.532 -0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.187 2.235 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.479 0.520 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.160 1.498 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.314 2.233 0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -9.107 0.526 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.945 -0.198 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.468 0.104 -0.289 1.00 0.00 H new ATOM 107 N ILE A 6 -3.375 3.786 -2.051 1.00 0.00 N ATOM 108 CA ILE A 6 -1.942 3.671 -2.296 1.00 0.00 C ATOM 109 C ILE A 6 -1.310 2.835 -1.190 1.00 0.00 C ATOM 110 O ILE A 6 -1.759 2.870 -0.047 1.00 0.00 O ATOM 111 CB ILE A 6 -1.208 5.041 -2.407 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.306 5.864 -1.110 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.750 5.838 -3.586 1.00 0.00 C ATOM 114 CD1 ILE A 6 -2.621 6.588 -0.928 1.00 0.00 C ATOM 0 H ILE A 6 -3.619 4.254 -1.178 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.828 3.188 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.152 4.829 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.150 5.200 -0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.498 6.595 -1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.228 6.793 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.595 5.276 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.816 6.017 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.604 7.142 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.773 7.280 -1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.435 5.864 -0.907 1.00 0.00 H new ATOM 126 N ALA A 7 -0.292 2.068 -1.529 1.00 0.00 N ATOM 127 CA ALA A 7 0.331 1.174 -0.568 1.00 0.00 C ATOM 128 C ALA A 7 1.829 1.093 -0.803 1.00 0.00 C ATOM 129 O ALA A 7 2.272 0.919 -1.932 1.00 0.00 O ATOM 130 CB ALA A 7 -0.294 -0.211 -0.655 1.00 0.00 C ATOM 0 H ALA A 7 0.122 2.045 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 7 0.163 1.573 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.182 -0.871 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.360 -0.143 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.152 -0.612 -1.659 1.00 0.00 H new ATOM 136 N VAL A 8 2.603 1.227 0.261 1.00 0.00 N ATOM 137 CA VAL A 8 4.049 1.157 0.153 1.00 0.00 C ATOM 138 C VAL A 8 4.571 -0.167 0.701 1.00 0.00 C ATOM 139 O VAL A 8 4.195 -0.594 1.795 1.00 0.00 O ATOM 140 CB VAL A 8 4.734 2.320 0.897 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.242 2.267 0.700 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.179 3.657 0.432 1.00 0.00 C ATOM 0 H VAL A 8 2.255 1.384 1.207 1.00 0.00 H new ATOM 0 HA VAL A 8 4.291 1.233 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 8 4.524 2.216 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.708 3.096 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.627 1.324 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.473 2.343 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.676 4.464 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.354 3.772 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.108 3.695 0.630 1.00 0.00 H new ATOM 152 N THR A 9 5.422 -0.813 -0.077 1.00 0.00 N ATOM 153 CA THR A 9 6.071 -2.046 0.328 1.00 0.00 C ATOM 154 C THR A 9 7.583 -1.849 0.341 1.00 0.00 C ATOM 155 O THR A 9 8.165 -1.401 -0.650 1.00 0.00 O ATOM 156 CB THR A 9 5.702 -3.210 -0.620 1.00 0.00 C ATOM 157 OG1 THR A 9 5.883 -2.813 -1.991 1.00 0.00 O ATOM 158 CG2 THR A 9 4.262 -3.656 -0.403 1.00 0.00 C ATOM 0 H THR A 9 5.683 -0.495 -1.011 1.00 0.00 H new ATOM 0 HA THR A 9 5.725 -2.302 1.329 1.00 0.00 H new ATOM 0 HB THR A 9 6.363 -4.047 -0.396 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.992 -1.840 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.029 -4.476 -1.082 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.136 -3.991 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.589 -2.821 -0.598 1.00 0.00 H new ATOM 166 N ALA A 10 8.221 -2.160 1.460 1.00 0.00 N ATOM 167 CA ALA A 10 9.653 -1.945 1.590 1.00 0.00 C ATOM 168 C ALA A 10 10.277 -2.912 2.585 1.00 0.00 C ATOM 169 O ALA A 10 9.821 -3.036 3.721 1.00 0.00 O ATOM 170 CB ALA A 10 9.930 -0.509 2.010 1.00 0.00 C ATOM 0 H ALA A 10 7.773 -2.559 2.285 1.00 0.00 H new ATOM 0 HA ALA A 10 10.108 -2.131 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.005 -0.359 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.533 0.173 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.450 -0.311 2.969 1.00 0.00 H new ATOM 176 N CYS A 11 11.323 -3.589 2.151 1.00 0.00 N ATOM 177 CA CYS A 11 12.085 -4.475 3.014 1.00 0.00 C ATOM 178 C CYS A 11 13.535 -4.488 2.545 1.00 0.00 C ATOM 179 O CYS A 11 13.801 -4.330 1.353 1.00 0.00 O ATOM 180 CB CYS A 11 11.498 -5.893 2.993 1.00 0.00 C ATOM 181 SG CYS A 11 12.234 -7.024 4.197 1.00 0.00 S ATOM 0 H CYS A 11 11.669 -3.541 1.193 1.00 0.00 H new ATOM 0 HA CYS A 11 12.035 -4.113 4.041 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.426 -5.832 3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.626 -6.311 1.995 1.00 0.00 H new ATOM 0 HG CYS A 11 11.377 -7.268 5.144 1.00 0.00 H new ATOM 187 N ALA A 12 14.466 -4.644 3.478 1.00 0.00 N ATOM 188 CA ALA A 12 15.885 -4.624 3.147 1.00 0.00 C ATOM 189 C ALA A 12 16.396 -6.033 2.868 1.00 0.00 C ATOM 190 O ALA A 12 16.618 -6.411 1.718 1.00 0.00 O ATOM 191 CB ALA A 12 16.684 -3.975 4.269 1.00 0.00 C ATOM 0 H ALA A 12 14.264 -4.785 4.468 1.00 0.00 H new ATOM 0 HA ALA A 12 16.017 -4.031 2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 12 17.742 -3.968 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.340 -2.951 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 12 16.543 -4.540 5.190 1.00 0.00 H new ATOM 197 N THR A 13 16.574 -6.809 3.923 1.00 0.00 N ATOM 198 CA THR A 13 17.017 -8.180 3.789 1.00 0.00 C ATOM 199 C THR A 13 15.824 -9.130 3.790 1.00 0.00 C ATOM 200 O THR A 13 15.323 -9.528 4.844 1.00 0.00 O ATOM 201 CB THR A 13 17.995 -8.544 4.917 1.00 0.00 C ATOM 202 OG1 THR A 13 17.570 -7.922 6.137 1.00 0.00 O ATOM 203 CG2 THR A 13 19.407 -8.093 4.577 1.00 0.00 C ATOM 0 H THR A 13 16.417 -6.508 4.885 1.00 0.00 H new ATOM 0 HA THR A 13 17.537 -8.281 2.837 1.00 0.00 H new ATOM 0 HB THR A 13 18.000 -9.627 5.037 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.192 -8.155 6.857 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.081 -8.362 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 13 19.734 -8.581 3.659 1.00 0.00 H new ATOM 0 HG23 THR A 13 19.420 -7.012 4.437 1.00 0.00 H new ATOM 211 N GLY A 14 15.363 -9.466 2.596 1.00 0.00 N ATOM 212 CA GLY A 14 14.177 -10.281 2.450 1.00 0.00 C ATOM 213 C GLY A 14 13.200 -9.648 1.486 1.00 0.00 C ATOM 214 O GLY A 14 12.003 -9.546 1.772 1.00 0.00 O ATOM 0 H GLY A 14 15.795 -9.185 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.455 -11.273 2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.701 -10.414 3.421 1.00 0.00 H new ATOM 218 N VAL A 15 13.713 -9.230 0.330 1.00 0.00 N ATOM 219 CA VAL A 15 12.915 -8.531 -0.665 1.00 0.00 C ATOM 220 C VAL A 15 11.850 -9.437 -1.272 1.00 0.00 C ATOM 221 O VAL A 15 10.920 -8.955 -1.924 1.00 0.00 O ATOM 222 CB VAL A 15 13.794 -7.946 -1.789 1.00 0.00 C ATOM 223 CG1 VAL A 15 14.763 -6.915 -1.229 1.00 0.00 C ATOM 224 CG2 VAL A 15 14.543 -9.044 -2.529 1.00 0.00 C ATOM 0 H VAL A 15 14.687 -9.367 0.062 1.00 0.00 H new ATOM 0 HA VAL A 15 12.420 -7.712 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 15 13.139 -7.449 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 15 15.374 -6.514 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.203 -6.105 -0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 15 15.407 -7.386 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 15 15.154 -8.601 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.184 -9.581 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 15 13.828 -9.737 -2.972 1.00 0.00 H new ATOM 234 N ALA A 16 11.982 -10.744 -1.052 1.00 0.00 N ATOM 235 CA ALA A 16 10.974 -11.698 -1.496 1.00 0.00 C ATOM 236 C ALA A 16 9.620 -11.342 -0.894 1.00 0.00 C ATOM 237 O ALA A 16 8.582 -11.533 -1.523 1.00 0.00 O ATOM 238 CB ALA A 16 11.372 -13.118 -1.122 1.00 0.00 C ATOM 0 H ALA A 16 12.777 -11.164 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 16 10.899 -11.646 -2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.605 -13.813 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.322 -13.366 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.475 -13.194 -0.039 1.00 0.00 H new ATOM 244 N HIS A 17 9.648 -10.799 0.321 1.00 0.00 N ATOM 245 CA HIS A 17 8.441 -10.293 0.962 1.00 0.00 C ATOM 246 C HIS A 17 7.875 -9.125 0.167 1.00 0.00 C ATOM 247 O HIS A 17 6.705 -9.127 -0.208 1.00 0.00 O ATOM 248 CB HIS A 17 8.728 -9.829 2.393 1.00 0.00 C ATOM 249 CG HIS A 17 8.970 -10.935 3.371 1.00 0.00 C ATOM 250 ND1 HIS A 17 10.134 -11.058 4.096 1.00 0.00 N ATOM 251 CD2 HIS A 17 8.172 -11.952 3.770 1.00 0.00 C ATOM 252 CE1 HIS A 17 10.039 -12.099 4.897 1.00 0.00 C ATOM 253 NE2 HIS A 17 8.858 -12.660 4.722 1.00 0.00 N ATOM 0 H HIS A 17 10.495 -10.699 0.880 1.00 0.00 H new ATOM 0 HA HIS A 17 7.717 -11.107 0.993 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.600 -9.176 2.381 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.886 -9.231 2.742 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.178 -12.166 3.406 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.801 -12.437 5.583 1.00 0.00 H new ATOM 0 HE2 HIS A 17 8.513 -13.484 5.214 1.00 0.00 H new ATOM 262 N THR A 18 8.732 -8.142 -0.090 1.00 0.00 N ATOM 263 CA THR A 18 8.348 -6.914 -0.775 1.00 0.00 C ATOM 264 C THR A 18 7.652 -7.203 -2.105 1.00 0.00 C ATOM 265 O THR A 18 6.539 -6.736 -2.350 1.00 0.00 O ATOM 266 CB THR A 18 9.590 -6.042 -1.044 1.00 0.00 C ATOM 267 OG1 THR A 18 10.428 -6.016 0.119 1.00 0.00 O ATOM 268 CG2 THR A 18 9.192 -4.621 -1.410 1.00 0.00 C ATOM 0 H THR A 18 9.717 -8.176 0.173 1.00 0.00 H new ATOM 0 HA THR A 18 7.652 -6.386 -0.123 1.00 0.00 H new ATOM 0 HB THR A 18 10.134 -6.477 -1.882 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.217 -5.462 -0.058 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.088 -4.028 -1.594 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.575 -4.636 -2.309 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.627 -4.179 -0.590 1.00 0.00 H new ATOM 276 N TYR A 19 8.309 -7.988 -2.951 1.00 0.00 N ATOM 277 CA TYR A 19 7.791 -8.267 -4.281 1.00 0.00 C ATOM 278 C TYR A 19 6.521 -9.104 -4.221 1.00 0.00 C ATOM 279 O TYR A 19 5.533 -8.779 -4.879 1.00 0.00 O ATOM 280 CB TYR A 19 8.852 -8.958 -5.140 1.00 0.00 C ATOM 281 CG TYR A 19 9.982 -8.038 -5.546 1.00 0.00 C ATOM 282 CD1 TYR A 19 9.872 -7.238 -6.675 1.00 0.00 C ATOM 283 CD2 TYR A 19 11.147 -7.957 -4.795 1.00 0.00 C ATOM 284 CE1 TYR A 19 10.895 -6.388 -7.049 1.00 0.00 C ATOM 285 CE2 TYR A 19 12.174 -7.110 -5.163 1.00 0.00 C ATOM 286 CZ TYR A 19 12.042 -6.325 -6.287 1.00 0.00 C ATOM 287 OH TYR A 19 13.062 -5.475 -6.652 1.00 0.00 O ATOM 0 H TYR A 19 9.198 -8.440 -2.739 1.00 0.00 H new ATOM 0 HA TYR A 19 7.537 -7.313 -4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.262 -9.805 -4.589 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.379 -9.360 -6.036 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.972 -7.281 -7.271 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.252 -8.566 -3.909 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.797 -5.776 -7.934 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.077 -7.063 -4.572 1.00 0.00 H new ATOM 0 HH TYR A 19 12.748 -4.872 -7.358 1.00 0.00 H new ATOM 297 N MET A 20 6.537 -10.161 -3.418 1.00 0.00 N ATOM 298 CA MET A 20 5.388 -11.054 -3.318 1.00 0.00 C ATOM 299 C MET A 20 4.165 -10.306 -2.800 1.00 0.00 C ATOM 300 O MET A 20 3.056 -10.483 -3.308 1.00 0.00 O ATOM 301 CB MET A 20 5.706 -12.242 -2.407 1.00 0.00 C ATOM 302 CG MET A 20 4.587 -13.267 -2.331 1.00 0.00 C ATOM 303 SD MET A 20 4.226 -14.028 -3.929 1.00 0.00 S ATOM 304 CE MET A 20 5.807 -14.778 -4.314 1.00 0.00 C ATOM 0 H MET A 20 7.328 -10.420 -2.829 1.00 0.00 H new ATOM 0 HA MET A 20 5.165 -11.430 -4.316 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.612 -12.731 -2.765 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.918 -11.873 -1.404 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.860 -14.044 -1.617 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.686 -12.787 -1.950 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.664 -15.573 -5.046 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.477 -14.023 -4.725 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.243 -15.195 -3.406 1.00 0.00 H new ATOM 314 N ALA A 21 4.375 -9.454 -1.804 1.00 0.00 N ATOM 315 CA ALA A 21 3.294 -8.658 -1.243 1.00 0.00 C ATOM 316 C ALA A 21 2.726 -7.714 -2.291 1.00 0.00 C ATOM 317 O ALA A 21 1.515 -7.639 -2.476 1.00 0.00 O ATOM 318 CB ALA A 21 3.781 -7.878 -0.033 1.00 0.00 C ATOM 0 H ALA A 21 5.284 -9.298 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 21 2.501 -9.333 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.960 -7.288 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.141 -8.572 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.592 -7.214 -0.331 1.00 0.00 H new ATOM 324 N ALA A 22 3.613 -7.017 -2.992 1.00 0.00 N ATOM 325 CA ALA A 22 3.212 -6.068 -4.023 1.00 0.00 C ATOM 326 C ALA A 22 2.447 -6.762 -5.148 1.00 0.00 C ATOM 327 O ALA A 22 1.566 -6.166 -5.766 1.00 0.00 O ATOM 328 CB ALA A 22 4.434 -5.352 -4.578 1.00 0.00 C ATOM 0 H ALA A 22 4.622 -7.093 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 22 2.545 -5.335 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.123 -4.645 -5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.937 -4.815 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.118 -6.082 -5.011 1.00 0.00 H new ATOM 334 N GLN A 23 2.783 -8.022 -5.413 1.00 0.00 N ATOM 335 CA GLN A 23 2.106 -8.778 -6.461 1.00 0.00 C ATOM 336 C GLN A 23 0.731 -9.236 -5.991 1.00 0.00 C ATOM 337 O GLN A 23 -0.273 -8.981 -6.657 1.00 0.00 O ATOM 338 CB GLN A 23 2.923 -9.998 -6.903 1.00 0.00 C ATOM 339 CG GLN A 23 4.295 -9.671 -7.478 1.00 0.00 C ATOM 340 CD GLN A 23 4.273 -8.549 -8.502 1.00 0.00 C ATOM 341 OE1 GLN A 23 4.053 -8.776 -9.693 1.00 0.00 O ATOM 342 NE2 GLN A 23 4.540 -7.333 -8.048 1.00 0.00 N ATOM 0 H GLN A 23 3.513 -8.537 -4.921 1.00 0.00 H new ATOM 0 HA GLN A 23 1.997 -8.110 -7.315 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.051 -10.662 -6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.353 -10.549 -7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.965 -9.395 -6.664 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.708 -10.567 -7.941 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.717 -7.187 -7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.569 -6.543 -8.693 1.00 0.00 H new ATOM 351 N ALA A 24 0.691 -9.903 -4.840 1.00 0.00 N ATOM 352 CA ALA A 24 -0.557 -10.443 -4.309 1.00 0.00 C ATOM 353 C ALA A 24 -1.553 -9.328 -4.006 1.00 0.00 C ATOM 354 O ALA A 24 -2.738 -9.431 -4.330 1.00 0.00 O ATOM 355 CB ALA A 24 -0.284 -11.271 -3.062 1.00 0.00 C ATOM 0 H ALA A 24 1.509 -10.082 -4.257 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.999 -11.088 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.223 -11.668 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.383 -12.096 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.184 -10.643 -2.304 1.00 0.00 H new ATOM 361 N LEU A 25 -1.054 -8.260 -3.401 1.00 0.00 N ATOM 362 CA LEU A 25 -1.871 -7.099 -3.073 1.00 0.00 C ATOM 363 C LEU A 25 -2.462 -6.480 -4.339 1.00 0.00 C ATOM 364 O LEU A 25 -3.637 -6.112 -4.375 1.00 0.00 O ATOM 365 CB LEU A 25 -1.017 -6.071 -2.328 1.00 0.00 C ATOM 366 CG LEU A 25 -1.715 -4.771 -1.934 1.00 0.00 C ATOM 367 CD1 LEU A 25 -2.817 -5.034 -0.914 1.00 0.00 C ATOM 368 CD2 LEU A 25 -0.692 -3.789 -1.385 1.00 0.00 C ATOM 0 H LEU A 25 -0.076 -8.173 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.696 -7.415 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.629 -6.539 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.158 -5.823 -2.952 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.181 -4.338 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.299 -4.093 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.555 -5.712 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.386 -5.485 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.192 -2.862 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.208 -4.220 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.058 -3.580 -2.148 1.00 0.00 H new ATOM 380 N LYS A 26 -1.637 -6.389 -5.379 1.00 0.00 N ATOM 381 CA LYS A 26 -2.058 -5.818 -6.654 1.00 0.00 C ATOM 382 C LYS A 26 -3.141 -6.684 -7.290 1.00 0.00 C ATOM 383 O LYS A 26 -4.162 -6.177 -7.761 1.00 0.00 O ATOM 384 CB LYS A 26 -0.855 -5.706 -7.595 1.00 0.00 C ATOM 385 CG LYS A 26 -1.077 -4.785 -8.783 1.00 0.00 C ATOM 386 CD LYS A 26 0.114 -4.800 -9.732 1.00 0.00 C ATOM 387 CE LYS A 26 1.423 -4.501 -9.011 1.00 0.00 C ATOM 388 NZ LYS A 26 2.569 -4.409 -9.956 1.00 0.00 N ATOM 0 H LYS A 26 -0.668 -6.706 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.467 -4.823 -6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.004 -5.348 -7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.602 -6.700 -7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.975 -5.092 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.249 -3.768 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.181 -5.775 -10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.042 -4.064 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.329 -3.564 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.620 -5.282 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.440 -4.205 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.675 -5.311 -10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.394 -3.647 -10.641 1.00 0.00 H new ATOM 402 N LYS A 27 -2.912 -7.995 -7.284 1.00 0.00 N ATOM 403 CA LYS A 27 -3.865 -8.952 -7.837 1.00 0.00 C ATOM 404 C LYS A 27 -5.210 -8.857 -7.128 1.00 0.00 C ATOM 405 O LYS A 27 -6.261 -8.789 -7.773 1.00 0.00 O ATOM 406 CB LYS A 27 -3.324 -10.377 -7.713 1.00 0.00 C ATOM 407 CG LYS A 27 -2.208 -10.706 -8.692 1.00 0.00 C ATOM 408 CD LYS A 27 -1.682 -12.117 -8.477 1.00 0.00 C ATOM 409 CE LYS A 27 -0.718 -12.537 -9.578 1.00 0.00 C ATOM 410 NZ LYS A 27 -1.375 -12.566 -10.912 1.00 0.00 N ATOM 0 H LYS A 27 -2.068 -8.420 -6.899 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.006 -8.709 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.958 -10.528 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.144 -11.080 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.575 -10.604 -9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.394 -9.990 -8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.178 -12.174 -7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.519 -12.815 -8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.125 -11.847 -9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.315 -13.524 -9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.802 -13.133 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.321 -12.989 -10.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.462 -11.596 -11.277 1.00 0.00 H new ATOM 424 N GLY A 28 -5.165 -8.850 -5.802 1.00 0.00 N ATOM 425 CA GLY A 28 -6.376 -8.774 -5.007 1.00 0.00 C ATOM 426 C GLY A 28 -7.148 -7.490 -5.241 1.00 0.00 C ATOM 427 O GLY A 28 -8.367 -7.514 -5.411 1.00 0.00 O ATOM 0 H GLY A 28 -4.303 -8.896 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.015 -9.625 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.118 -8.851 -3.951 1.00 0.00 H new ATOM 431 N ALA A 29 -6.439 -6.367 -5.263 1.00 0.00 N ATOM 432 CA ALA A 29 -7.071 -5.067 -5.468 1.00 0.00 C ATOM 433 C ALA A 29 -7.731 -4.989 -6.839 1.00 0.00 C ATOM 434 O ALA A 29 -8.828 -4.442 -6.985 1.00 0.00 O ATOM 435 CB ALA A 29 -6.054 -3.950 -5.303 1.00 0.00 C ATOM 0 H ALA A 29 -5.427 -6.330 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.847 -4.946 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.542 -2.988 -5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.635 -3.985 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.255 -4.075 -6.034 1.00 0.00 H new ATOM 441 N LYS A 30 -7.065 -5.553 -7.836 1.00 0.00 N ATOM 442 CA LYS A 30 -7.597 -5.584 -9.190 1.00 0.00 C ATOM 443 C LYS A 30 -8.808 -6.509 -9.268 1.00 0.00 C ATOM 444 O LYS A 30 -9.789 -6.206 -9.946 1.00 0.00 O ATOM 445 CB LYS A 30 -6.519 -6.047 -10.175 1.00 0.00 C ATOM 446 CG LYS A 30 -6.964 -6.004 -11.627 1.00 0.00 C ATOM 447 CD LYS A 30 -7.220 -4.579 -12.091 1.00 0.00 C ATOM 448 CE LYS A 30 -7.865 -4.544 -13.466 1.00 0.00 C ATOM 449 NZ LYS A 30 -7.051 -5.249 -14.490 1.00 0.00 N ATOM 0 H LYS A 30 -6.152 -5.997 -7.732 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.910 -4.575 -9.459 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.636 -5.420 -10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.223 -7.066 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.200 -6.461 -12.256 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.872 -6.595 -11.748 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.865 -4.073 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.279 -4.030 -12.116 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.853 -5.001 -13.413 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.009 -3.507 -13.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.449 -5.070 -15.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.072 -4.900 -14.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.061 -6.271 -14.298 1.00 0.00 H new ATOM 463 N LYS A 31 -8.735 -7.628 -8.555 1.00 0.00 N ATOM 464 CA LYS A 31 -9.818 -8.608 -8.534 1.00 0.00 C ATOM 465 C LYS A 31 -11.073 -8.008 -7.911 1.00 0.00 C ATOM 466 O LYS A 31 -12.195 -8.275 -8.351 1.00 0.00 O ATOM 467 CB LYS A 31 -9.388 -9.846 -7.746 1.00 0.00 C ATOM 468 CG LYS A 31 -10.357 -11.012 -7.861 1.00 0.00 C ATOM 469 CD LYS A 31 -10.495 -11.487 -9.300 1.00 0.00 C ATOM 470 CE LYS A 31 -11.418 -12.691 -9.407 1.00 0.00 C ATOM 471 NZ LYS A 31 -12.800 -12.382 -8.953 1.00 0.00 N ATOM 0 H LYS A 31 -7.932 -7.881 -7.980 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.043 -8.896 -9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.406 -10.165 -8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.280 -9.577 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.011 -11.836 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.334 -10.713 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.882 -10.675 -9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.512 -11.745 -9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.446 -13.035 -10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.016 -13.509 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.431 -13.171 -9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.804 -12.244 -7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.133 -11.514 -9.420 1.00 0.00 H new ATOM 485 N MET A 32 -10.873 -7.193 -6.887 1.00 0.00 N ATOM 486 CA MET A 32 -11.974 -6.524 -6.210 1.00 0.00 C ATOM 487 C MET A 32 -12.517 -5.381 -7.065 1.00 0.00 C ATOM 488 O MET A 32 -13.654 -4.942 -6.885 1.00 0.00 O ATOM 489 CB MET A 32 -11.510 -5.994 -4.852 1.00 0.00 C ATOM 490 CG MET A 32 -11.077 -7.079 -3.876 1.00 0.00 C ATOM 491 SD MET A 32 -12.451 -8.078 -3.270 1.00 0.00 S ATOM 492 CE MET A 32 -13.420 -6.834 -2.418 1.00 0.00 C ATOM 0 H MET A 32 -9.952 -6.978 -6.504 1.00 0.00 H new ATOM 0 HA MET A 32 -12.775 -7.247 -6.054 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.678 -5.307 -5.007 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.319 -5.418 -4.403 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.351 -7.729 -4.364 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.571 -6.616 -3.029 1.00 0.00 H new ATOM 0 HE1 MET A 32 -14.037 -7.312 -1.657 1.00 0.00 H new ATOM 0 HE2 MET A 32 -12.752 -6.114 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 32 -14.061 -6.319 -3.134 1.00 0.00 H new ATOM 502 N GLY A 33 -11.695 -4.906 -7.993 1.00 0.00 N ATOM 503 CA GLY A 33 -12.116 -3.854 -8.897 1.00 0.00 C ATOM 504 C GLY A 33 -11.847 -2.468 -8.349 1.00 0.00 C ATOM 505 O GLY A 33 -12.744 -1.630 -8.308 1.00 0.00 O ATOM 0 H GLY A 33 -10.739 -5.233 -8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.598 -3.970 -9.849 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.182 -3.960 -9.099 1.00 0.00 H new ATOM 509 N ASN A 34 -10.612 -2.224 -7.927 1.00 0.00 N ATOM 510 CA ASN A 34 -10.238 -0.926 -7.374 1.00 0.00 C ATOM 511 C ASN A 34 -9.021 -0.366 -8.097 1.00 0.00 C ATOM 512 O ASN A 34 -8.515 -0.975 -9.044 1.00 0.00 O ATOM 513 CB ASN A 34 -9.940 -1.032 -5.874 1.00 0.00 C ATOM 514 CG ASN A 34 -11.130 -1.510 -5.068 1.00 0.00 C ATOM 515 OD1 ASN A 34 -11.965 -0.718 -4.637 1.00 0.00 O ATOM 516 ND2 ASN A 34 -11.208 -2.813 -4.848 1.00 0.00 N ATOM 0 H ASN A 34 -9.854 -2.905 -7.957 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.082 -0.251 -7.517 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.106 -1.717 -5.722 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.624 -0.058 -5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.982 -3.193 -4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.494 -3.437 -5.223 1.00 0.00 H new ATOM 523 N LEU A 35 -8.559 0.796 -7.650 1.00 0.00 N ATOM 524 CA LEU A 35 -7.366 1.420 -8.204 1.00 0.00 C ATOM 525 C LEU A 35 -6.327 1.601 -7.113 1.00 0.00 C ATOM 526 O LEU A 35 -6.499 2.421 -6.210 1.00 0.00 O ATOM 527 CB LEU A 35 -7.696 2.775 -8.836 1.00 0.00 C ATOM 528 CG LEU A 35 -8.562 2.716 -10.095 1.00 0.00 C ATOM 529 CD1 LEU A 35 -8.847 4.117 -10.610 1.00 0.00 C ATOM 530 CD2 LEU A 35 -7.882 1.880 -11.170 1.00 0.00 C ATOM 0 H LEU A 35 -8.998 1.328 -6.899 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.969 0.768 -8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.205 3.389 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.762 3.280 -9.081 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.511 2.243 -9.840 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.464 4.057 -11.506 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.374 4.686 -9.844 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.907 4.615 -10.850 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.512 1.848 -12.059 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.920 2.325 -11.423 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.727 0.867 -10.799 1.00 0.00 H new ATOM 542 N ILE A 36 -5.254 0.836 -7.195 1.00 0.00 N ATOM 543 CA ILE A 36 -4.240 0.853 -6.161 1.00 0.00 C ATOM 544 C ILE A 36 -2.879 1.248 -6.730 1.00 0.00 C ATOM 545 O ILE A 36 -2.541 0.908 -7.865 1.00 0.00 O ATOM 546 CB ILE A 36 -4.145 -0.517 -5.444 1.00 0.00 C ATOM 547 CG1 ILE A 36 -3.245 -0.415 -4.209 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.632 -1.595 -6.393 1.00 0.00 C ATOM 549 CD1 ILE A 36 -3.175 -1.691 -3.398 1.00 0.00 C ATOM 0 H ILE A 36 -5.064 0.196 -7.966 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.537 1.603 -5.427 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.147 -0.800 -5.120 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.239 -0.141 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.609 0.391 -3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.575 -2.547 -5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.313 -1.689 -7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.641 -1.320 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.519 -1.541 -2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.173 -1.956 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.782 -2.496 -4.019 1.00 0.00 H new ATOM 561 N LYS A 37 -2.124 1.992 -5.943 1.00 0.00 N ATOM 562 CA LYS A 37 -0.768 2.376 -6.299 1.00 0.00 C ATOM 563 C LYS A 37 0.206 1.749 -5.315 1.00 0.00 C ATOM 564 O LYS A 37 0.331 2.203 -4.178 1.00 0.00 O ATOM 565 CB LYS A 37 -0.622 3.901 -6.278 1.00 0.00 C ATOM 566 CG LYS A 37 -1.286 4.609 -7.446 1.00 0.00 C ATOM 567 CD LYS A 37 -0.476 4.455 -8.722 1.00 0.00 C ATOM 568 CE LYS A 37 -1.069 5.270 -9.857 1.00 0.00 C ATOM 569 NZ LYS A 37 -0.190 5.273 -11.056 1.00 0.00 N ATOM 0 H LYS A 37 -2.432 2.348 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.549 2.022 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.046 4.282 -5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.439 4.153 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.287 4.204 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.403 5.667 -7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.551 4.772 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.440 3.404 -9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.045 4.865 -10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.230 6.295 -9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.631 5.840 -11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.733 5.683 -10.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.057 4.298 -11.391 1.00 0.00 H new ATOM 583 N VAL A 38 0.869 0.684 -5.740 1.00 0.00 N ATOM 584 CA VAL A 38 1.794 -0.026 -4.871 1.00 0.00 C ATOM 585 C VAL A 38 3.224 0.437 -5.118 1.00 0.00 C ATOM 586 O VAL A 38 3.768 0.262 -6.209 1.00 0.00 O ATOM 587 CB VAL A 38 1.711 -1.557 -5.066 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.569 -2.275 -4.037 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.267 -2.035 -4.987 1.00 0.00 C ATOM 0 H VAL A 38 0.784 0.294 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 38 1.506 0.204 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 38 2.094 -1.794 -6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.497 -3.352 -4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.607 -1.961 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.219 -2.028 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.233 -3.115 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.147 -1.783 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.320 -1.550 -5.767 1.00 0.00 H new ATOM 599 N GLU A 39 3.823 1.027 -4.099 1.00 0.00 N ATOM 600 CA GLU A 39 5.189 1.507 -4.182 1.00 0.00 C ATOM 601 C GLU A 39 6.135 0.442 -3.650 1.00 0.00 C ATOM 602 O GLU A 39 5.896 -0.143 -2.595 1.00 0.00 O ATOM 603 CB GLU A 39 5.335 2.808 -3.386 1.00 0.00 C ATOM 604 CG GLU A 39 6.740 3.389 -3.402 1.00 0.00 C ATOM 605 CD GLU A 39 6.790 4.813 -2.887 1.00 0.00 C ATOM 606 OE1 GLU A 39 6.443 5.735 -3.657 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.197 5.018 -1.727 1.00 0.00 O ATOM 0 H GLU A 39 3.378 1.186 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 39 5.441 1.712 -5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.643 3.548 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.041 2.625 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.394 2.764 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.129 3.361 -4.420 1.00 0.00 H new ATOM 614 N THR A 40 7.195 0.172 -4.389 1.00 0.00 N ATOM 615 CA THR A 40 8.126 -0.874 -4.019 1.00 0.00 C ATOM 616 C THR A 40 9.519 -0.300 -3.779 1.00 0.00 C ATOM 617 O THR A 40 10.157 0.212 -4.700 1.00 0.00 O ATOM 618 CB THR A 40 8.186 -1.961 -5.111 1.00 0.00 C ATOM 619 OG1 THR A 40 6.866 -2.468 -5.357 1.00 0.00 O ATOM 620 CG2 THR A 40 9.103 -3.104 -4.699 1.00 0.00 C ATOM 0 H THR A 40 7.432 0.664 -5.250 1.00 0.00 H new ATOM 0 HA THR A 40 7.771 -1.326 -3.093 1.00 0.00 H new ATOM 0 HB THR A 40 8.587 -1.512 -6.020 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.905 -3.158 -6.052 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.125 -3.855 -5.488 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.110 -2.721 -4.534 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.731 -3.555 -3.779 1.00 0.00 H new ATOM 628 N GLN A 41 9.968 -0.358 -2.534 1.00 0.00 N ATOM 629 CA GLN A 41 11.313 0.070 -2.189 1.00 0.00 C ATOM 630 C GLN A 41 12.218 -1.129 -1.967 1.00 0.00 C ATOM 631 O GLN A 41 12.009 -1.919 -1.042 1.00 0.00 O ATOM 632 CB GLN A 41 11.318 0.943 -0.932 1.00 0.00 C ATOM 633 CG GLN A 41 10.877 2.376 -1.164 1.00 0.00 C ATOM 634 CD GLN A 41 11.060 3.245 0.069 1.00 0.00 C ATOM 635 OE1 GLN A 41 10.343 4.222 0.270 1.00 0.00 O ATOM 636 NE2 GLN A 41 12.025 2.892 0.908 1.00 0.00 N ATOM 0 H GLN A 41 9.418 -0.698 -1.745 1.00 0.00 H new ATOM 0 HA GLN A 41 11.687 0.659 -3.026 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.664 0.490 -0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.324 0.948 -0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.447 2.799 -1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.828 2.387 -1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.601 2.074 0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.191 3.438 1.753 1.00 0.00 H new ATOM 645 N GLY A 42 13.221 -1.262 -2.819 1.00 0.00 N ATOM 646 CA GLY A 42 14.254 -2.250 -2.603 1.00 0.00 C ATOM 647 C GLY A 42 15.243 -1.756 -1.574 1.00 0.00 C ATOM 648 O GLY A 42 16.412 -1.516 -1.889 1.00 0.00 O ATOM 0 H GLY A 42 13.338 -0.699 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.807 -3.186 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.768 -2.460 -3.541 1.00 0.00 H new ATOM 652 N ALA A 43 14.738 -1.570 -0.354 1.00 0.00 N ATOM 653 CA ALA A 43 15.492 -1.013 0.770 1.00 0.00 C ATOM 654 C ALA A 43 15.654 0.496 0.612 1.00 0.00 C ATOM 655 O ALA A 43 14.996 1.270 1.304 1.00 0.00 O ATOM 656 CB ALA A 43 16.842 -1.701 0.947 1.00 0.00 C ATOM 0 H ALA A 43 13.775 -1.807 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 43 14.920 -1.202 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.369 -1.257 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.687 -2.764 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.436 -1.575 0.042 1.00 0.00 H new ATOM 662 N THR A 44 16.509 0.912 -0.309 1.00 0.00 N ATOM 663 CA THR A 44 16.696 2.328 -0.579 1.00 0.00 C ATOM 664 C THR A 44 16.187 2.682 -1.976 1.00 0.00 C ATOM 665 O THR A 44 15.658 3.771 -2.202 1.00 0.00 O ATOM 666 CB THR A 44 18.179 2.728 -0.447 1.00 0.00 C ATOM 667 OG1 THR A 44 18.693 2.275 0.813 1.00 0.00 O ATOM 668 CG2 THR A 44 18.351 4.236 -0.550 1.00 0.00 C ATOM 0 H THR A 44 17.082 0.291 -0.880 1.00 0.00 H new ATOM 0 HA THR A 44 16.120 2.884 0.161 1.00 0.00 H new ATOM 0 HB THR A 44 18.731 2.260 -1.263 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.636 2.530 0.892 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.407 4.489 -0.453 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.982 4.579 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.787 4.722 0.246 1.00 0.00 H new ATOM 676 N GLY A 45 16.330 1.743 -2.904 1.00 0.00 N ATOM 677 CA GLY A 45 15.934 1.982 -4.277 1.00 0.00 C ATOM 678 C GLY A 45 14.442 1.861 -4.484 1.00 0.00 C ATOM 679 O GLY A 45 13.884 0.770 -4.395 1.00 0.00 O ATOM 0 H GLY A 45 16.716 0.815 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.258 2.979 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.445 1.272 -4.927 1.00 0.00 H new ATOM 683 N ILE A 46 13.797 2.980 -4.763 1.00 0.00 N ATOM 684 CA ILE A 46 12.364 2.994 -4.999 1.00 0.00 C ATOM 685 C ILE A 46 12.085 2.667 -6.464 1.00 0.00 C ATOM 686 O ILE A 46 12.552 3.370 -7.361 1.00 0.00 O ATOM 687 CB ILE A 46 11.748 4.368 -4.657 1.00 0.00 C ATOM 688 CG1 ILE A 46 12.187 4.819 -3.259 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.230 4.301 -4.747 1.00 0.00 C ATOM 690 CD1 ILE A 46 11.691 6.199 -2.875 1.00 0.00 C ATOM 0 H ILE A 46 14.245 3.894 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 46 11.908 2.245 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 46 12.105 5.101 -5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.827 4.097 -2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 46 13.276 4.808 -3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.808 5.276 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.938 4.021 -5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.856 3.558 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.043 6.446 -1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.072 6.933 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.601 6.211 -2.890 1.00 0.00 H new ATOM 702 N GLU A 47 11.332 1.605 -6.711 1.00 0.00 N ATOM 703 CA GLU A 47 11.113 1.138 -8.075 1.00 0.00 C ATOM 704 C GLU A 47 9.805 1.670 -8.649 1.00 0.00 C ATOM 705 O GLU A 47 9.594 1.646 -9.858 1.00 0.00 O ATOM 706 CB GLU A 47 11.127 -0.384 -8.119 1.00 0.00 C ATOM 707 CG GLU A 47 12.381 -0.984 -7.517 1.00 0.00 C ATOM 708 CD GLU A 47 12.603 -2.407 -7.961 1.00 0.00 C ATOM 709 OE1 GLU A 47 11.891 -3.305 -7.476 1.00 0.00 O ATOM 710 OE2 GLU A 47 13.490 -2.628 -8.813 1.00 0.00 O ATOM 0 H GLU A 47 10.865 1.053 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 47 11.926 1.522 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.257 -0.765 -7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.035 -0.713 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.243 -0.379 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.311 -0.951 -6.430 1.00 0.00 H new ATOM 717 N ASN A 48 8.930 2.146 -7.783 1.00 0.00 N ATOM 718 CA ASN A 48 7.680 2.753 -8.224 1.00 0.00 C ATOM 719 C ASN A 48 7.371 3.959 -7.359 1.00 0.00 C ATOM 720 O ASN A 48 6.626 3.862 -6.392 1.00 0.00 O ATOM 721 CB ASN A 48 6.520 1.752 -8.163 1.00 0.00 C ATOM 722 CG ASN A 48 5.262 2.274 -8.842 1.00 0.00 C ATOM 723 OD1 ASN A 48 5.333 3.024 -9.813 1.00 0.00 O ATOM 724 ND2 ASN A 48 4.104 1.881 -8.339 1.00 0.00 N ATOM 0 H ASN A 48 9.058 2.126 -6.771 1.00 0.00 H new ATOM 0 HA ASN A 48 7.797 3.064 -9.262 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.824 0.819 -8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.298 1.522 -7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.231 2.201 -8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.084 1.258 -7.532 1.00 0.00 H new ATOM 731 N GLU A 49 7.982 5.082 -7.695 1.00 0.00 N ATOM 732 CA GLU A 49 7.869 6.285 -6.883 1.00 0.00 C ATOM 733 C GLU A 49 6.520 6.960 -7.083 1.00 0.00 C ATOM 734 O GLU A 49 6.234 7.499 -8.157 1.00 0.00 O ATOM 735 CB GLU A 49 8.995 7.263 -7.225 1.00 0.00 C ATOM 736 CG GLU A 49 8.947 8.549 -6.418 1.00 0.00 C ATOM 737 CD GLU A 49 9.958 9.566 -6.889 1.00 0.00 C ATOM 738 OE1 GLU A 49 9.636 10.343 -7.811 1.00 0.00 O ATOM 739 OE2 GLU A 49 11.079 9.595 -6.342 1.00 0.00 O ATOM 0 H GLU A 49 8.563 5.188 -8.526 1.00 0.00 H new ATOM 0 HA GLU A 49 7.953 5.991 -5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.954 6.773 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.944 7.507 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.947 8.978 -6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.128 8.322 -5.367 1.00 0.00 H new ATOM 746 N LEU A 50 5.699 6.932 -6.047 1.00 0.00 N ATOM 747 CA LEU A 50 4.403 7.586 -6.088 1.00 0.00 C ATOM 748 C LEU A 50 4.558 9.071 -5.793 1.00 0.00 C ATOM 749 O LEU A 50 4.991 9.462 -4.707 1.00 0.00 O ATOM 750 CB LEU A 50 3.447 6.946 -5.079 1.00 0.00 C ATOM 751 CG LEU A 50 3.259 5.436 -5.229 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.289 4.918 -4.182 1.00 0.00 C ATOM 753 CD2 LEU A 50 2.772 5.091 -6.630 1.00 0.00 C ATOM 0 H LEU A 50 5.908 6.462 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 50 3.984 7.465 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.814 7.152 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.473 7.428 -5.168 1.00 0.00 H new ATOM 0 HG LEU A 50 4.223 4.952 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.165 3.842 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.680 5.130 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.324 5.410 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.645 4.012 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.818 5.585 -6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.504 5.429 -7.363 1.00 0.00 H new ATOM 765 N THR A 51 4.212 9.899 -6.764 1.00 0.00 N ATOM 766 CA THR A 51 4.348 11.337 -6.609 1.00 0.00 C ATOM 767 C THR A 51 3.161 11.912 -5.847 1.00 0.00 C ATOM 768 O THR A 51 2.222 11.186 -5.508 1.00 0.00 O ATOM 769 CB THR A 51 4.477 12.045 -7.973 1.00 0.00 C ATOM 770 OG1 THR A 51 3.377 11.700 -8.825 1.00 0.00 O ATOM 771 CG2 THR A 51 5.780 11.672 -8.653 1.00 0.00 C ATOM 0 H THR A 51 3.836 9.602 -7.665 1.00 0.00 H new ATOM 0 HA THR A 51 5.261 11.514 -6.041 1.00 0.00 H new ATOM 0 HB THR A 51 4.468 13.120 -7.793 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.886 10.946 -8.436 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.849 12.183 -9.613 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.618 11.970 -8.022 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.811 10.594 -8.813 1.00 0.00 H new ATOM 779 N GLU A 52 3.208 13.213 -5.583 1.00 0.00 N ATOM 780 CA GLU A 52 2.127 13.903 -4.888 1.00 0.00 C ATOM 781 C GLU A 52 0.800 13.653 -5.587 1.00 0.00 C ATOM 782 O GLU A 52 -0.222 13.441 -4.937 1.00 0.00 O ATOM 783 CB GLU A 52 2.403 15.410 -4.817 1.00 0.00 C ATOM 784 CG GLU A 52 3.495 15.805 -3.829 1.00 0.00 C ATOM 785 CD GLU A 52 4.798 15.063 -4.049 1.00 0.00 C ATOM 786 OE1 GLU A 52 5.367 15.153 -5.162 1.00 0.00 O ATOM 787 OE2 GLU A 52 5.247 14.370 -3.119 1.00 0.00 O ATOM 0 H GLU A 52 3.989 13.815 -5.842 1.00 0.00 H new ATOM 0 HA GLU A 52 2.072 13.509 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.683 15.763 -5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.481 15.923 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.677 16.877 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.144 15.616 -2.815 1.00 0.00 H new ATOM 794 N LYS A 53 0.836 13.664 -6.912 1.00 0.00 N ATOM 795 CA LYS A 53 -0.338 13.372 -7.722 1.00 0.00 C ATOM 796 C LYS A 53 -0.971 12.040 -7.322 1.00 0.00 C ATOM 797 O LYS A 53 -2.144 11.984 -6.960 1.00 0.00 O ATOM 798 CB LYS A 53 0.053 13.342 -9.202 1.00 0.00 C ATOM 799 CG LYS A 53 -1.059 12.862 -10.121 1.00 0.00 C ATOM 800 CD LYS A 53 -0.615 12.840 -11.574 1.00 0.00 C ATOM 801 CE LYS A 53 0.546 11.882 -11.809 1.00 0.00 C ATOM 802 NZ LYS A 53 0.153 10.457 -11.629 1.00 0.00 N ATOM 0 H LYS A 53 1.675 13.874 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.074 14.158 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.358 14.343 -9.508 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.920 12.693 -9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.373 11.862 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.926 13.514 -10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.456 12.550 -12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.321 13.845 -11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.932 12.025 -12.818 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.356 12.122 -11.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.770 10.014 -10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.835 10.407 -11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.250 9.953 -12.534 1.00 0.00 H new ATOM 816 N ASP A 54 -0.172 10.980 -7.360 1.00 0.00 N ATOM 817 CA ASP A 54 -0.668 9.626 -7.110 1.00 0.00 C ATOM 818 C ASP A 54 -1.130 9.485 -5.670 1.00 0.00 C ATOM 819 O ASP A 54 -2.145 8.848 -5.382 1.00 0.00 O ATOM 820 CB ASP A 54 0.426 8.590 -7.398 1.00 0.00 C ATOM 821 CG ASP A 54 1.126 8.825 -8.719 1.00 0.00 C ATOM 822 OD1 ASP A 54 0.577 8.443 -9.770 1.00 0.00 O ATOM 823 OD2 ASP A 54 2.234 9.403 -8.714 1.00 0.00 O ATOM 0 H ASP A 54 0.827 11.030 -7.562 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.513 9.449 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.161 8.612 -6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.015 7.593 -7.399 1.00 0.00 H new ATOM 828 N VAL A 55 -0.377 10.099 -4.777 1.00 0.00 N ATOM 829 CA VAL A 55 -0.657 10.045 -3.356 1.00 0.00 C ATOM 830 C VAL A 55 -1.945 10.789 -3.008 1.00 0.00 C ATOM 831 O VAL A 55 -2.665 10.398 -2.092 1.00 0.00 O ATOM 832 CB VAL A 55 0.544 10.603 -2.564 1.00 0.00 C ATOM 833 CG1 VAL A 55 0.193 10.887 -1.122 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.681 9.612 -2.614 1.00 0.00 C ATOM 0 H VAL A 55 0.447 10.650 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.808 9.003 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 55 0.836 11.546 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.069 11.278 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.611 11.622 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.133 9.966 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.531 10.004 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.361 8.668 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.974 9.447 -3.651 1.00 0.00 H new ATOM 844 N ASN A 56 -2.247 11.843 -3.749 1.00 0.00 N ATOM 845 CA ASN A 56 -3.484 12.582 -3.531 1.00 0.00 C ATOM 846 C ASN A 56 -4.663 11.868 -4.180 1.00 0.00 C ATOM 847 O ASN A 56 -5.817 12.085 -3.800 1.00 0.00 O ATOM 848 CB ASN A 56 -3.369 14.015 -4.047 1.00 0.00 C ATOM 849 CG ASN A 56 -2.708 14.940 -3.041 1.00 0.00 C ATOM 850 OD1 ASN A 56 -3.379 15.548 -2.207 1.00 0.00 O ATOM 851 ND2 ASN A 56 -1.392 15.056 -3.113 1.00 0.00 N ATOM 0 H ASN A 56 -1.660 12.205 -4.500 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.661 12.626 -2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.795 14.020 -4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.363 14.393 -4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.897 15.667 -2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.872 14.535 -3.819 1.00 0.00 H new ATOM 858 N ILE A 57 -4.376 11.013 -5.155 1.00 0.00 N ATOM 859 CA ILE A 57 -5.409 10.188 -5.765 1.00 0.00 C ATOM 860 C ILE A 57 -5.903 9.150 -4.764 1.00 0.00 C ATOM 861 O ILE A 57 -7.093 9.095 -4.453 1.00 0.00 O ATOM 862 CB ILE A 57 -4.908 9.475 -7.044 1.00 0.00 C ATOM 863 CG1 ILE A 57 -4.532 10.502 -8.116 1.00 0.00 C ATOM 864 CG2 ILE A 57 -5.967 8.513 -7.577 1.00 0.00 C ATOM 865 CD1 ILE A 57 -3.922 9.890 -9.359 1.00 0.00 C ATOM 0 H ILE A 57 -3.441 10.874 -5.538 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.226 10.850 -6.052 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.019 8.898 -6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.423 11.062 -8.398 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.827 11.217 -7.691 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.594 8.023 -8.476 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.190 7.761 -6.820 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.875 9.067 -7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.682 10.678 -10.072 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.012 9.353 -9.091 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.632 9.197 -9.810 1.00 0.00 H new ATOM 877 N GLY A 58 -4.983 8.342 -4.250 1.00 0.00 N ATOM 878 CA GLY A 58 -5.348 7.332 -3.276 1.00 0.00 C ATOM 879 C GLY A 58 -5.668 7.939 -1.925 1.00 0.00 C ATOM 880 O GLY A 58 -4.948 8.813 -1.448 1.00 0.00 O ATOM 0 H GLY A 58 -3.992 8.369 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.212 6.775 -3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.531 6.619 -3.169 1.00 0.00 H new ATOM 884 N GLU A 59 -6.743 7.489 -1.301 1.00 0.00 N ATOM 885 CA GLU A 59 -7.145 8.045 -0.020 1.00 0.00 C ATOM 886 C GLU A 59 -6.502 7.280 1.133 1.00 0.00 C ATOM 887 O GLU A 59 -5.952 7.890 2.047 1.00 0.00 O ATOM 888 CB GLU A 59 -8.674 8.082 0.103 1.00 0.00 C ATOM 889 CG GLU A 59 -9.356 6.750 -0.149 1.00 0.00 C ATOM 890 CD GLU A 59 -10.843 6.899 -0.376 1.00 0.00 C ATOM 891 OE1 GLU A 59 -11.578 7.155 0.597 1.00 0.00 O ATOM 892 OE2 GLU A 59 -11.288 6.762 -1.535 1.00 0.00 O ATOM 0 H GLU A 59 -7.348 6.748 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.788 9.073 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.938 8.428 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.065 8.816 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.904 6.272 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.185 6.090 0.702 1.00 0.00 H new ATOM 899 N VAL A 60 -6.522 5.954 1.064 1.00 0.00 N ATOM 900 CA VAL A 60 -5.932 5.132 2.100 1.00 0.00 C ATOM 901 C VAL A 60 -4.502 4.771 1.736 1.00 0.00 C ATOM 902 O VAL A 60 -4.219 4.407 0.595 1.00 0.00 O ATOM 903 CB VAL A 60 -6.713 3.822 2.307 1.00 0.00 C ATOM 904 CG1 VAL A 60 -6.140 3.058 3.478 1.00 0.00 C ATOM 905 CG2 VAL A 60 -8.194 4.081 2.514 1.00 0.00 C ATOM 0 H VAL A 60 -6.943 5.429 0.297 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.962 5.716 3.020 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.609 3.222 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.699 2.133 3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.093 2.824 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.214 3.665 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.713 3.133 2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.334 4.708 3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.600 4.589 1.639 1.00 0.00 H new ATOM 915 N VAL A 61 -3.610 4.876 2.704 1.00 0.00 N ATOM 916 CA VAL A 61 -2.221 4.505 2.507 1.00 0.00 C ATOM 917 C VAL A 61 -1.894 3.243 3.290 1.00 0.00 C ATOM 918 O VAL A 61 -1.825 3.267 4.512 1.00 0.00 O ATOM 919 CB VAL A 61 -1.256 5.613 2.967 1.00 0.00 C ATOM 920 CG1 VAL A 61 0.167 5.258 2.583 1.00 0.00 C ATOM 921 CG2 VAL A 61 -1.656 6.963 2.398 1.00 0.00 C ATOM 0 H VAL A 61 -3.825 5.218 3.641 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.091 4.341 1.437 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.313 5.689 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.841 6.049 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.449 4.319 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.236 5.151 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.955 7.724 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.639 6.918 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.661 7.217 2.735 1.00 0.00 H new ATOM 931 N ILE A 62 -1.686 2.145 2.598 1.00 0.00 N ATOM 932 CA ILE A 62 -1.345 0.903 3.265 1.00 0.00 C ATOM 933 C ILE A 62 0.167 0.774 3.374 1.00 0.00 C ATOM 934 O ILE A 62 0.885 0.934 2.390 1.00 0.00 O ATOM 935 CB ILE A 62 -1.916 -0.323 2.518 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.440 -0.215 2.405 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.521 -1.614 3.226 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.071 -1.343 1.616 1.00 0.00 C ATOM 0 H ILE A 62 -1.746 2.084 1.582 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.789 0.928 4.260 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.495 -0.343 1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.870 -0.199 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.695 0.734 1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.932 -2.466 2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.434 -1.694 3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.913 -1.606 4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.151 -1.201 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.669 -1.347 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.847 -2.294 2.099 1.00 0.00 H new ATOM 950 N PHE A 63 0.647 0.511 4.573 1.00 0.00 N ATOM 951 CA PHE A 63 2.069 0.350 4.798 1.00 0.00 C ATOM 952 C PHE A 63 2.393 -1.078 5.179 1.00 0.00 C ATOM 953 O PHE A 63 2.067 -1.526 6.277 1.00 0.00 O ATOM 954 CB PHE A 63 2.573 1.306 5.882 1.00 0.00 C ATOM 955 CG PHE A 63 2.788 2.706 5.391 1.00 0.00 C ATOM 956 CD1 PHE A 63 3.831 2.990 4.524 1.00 0.00 C ATOM 957 CD2 PHE A 63 1.955 3.736 5.794 1.00 0.00 C ATOM 958 CE1 PHE A 63 4.039 4.274 4.066 1.00 0.00 C ATOM 959 CE2 PHE A 63 2.160 5.024 5.339 1.00 0.00 C ATOM 960 CZ PHE A 63 3.203 5.292 4.473 1.00 0.00 C ATOM 0 H PHE A 63 0.071 0.404 5.408 1.00 0.00 H new ATOM 0 HA PHE A 63 2.577 0.591 3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.856 1.323 6.702 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.510 0.923 6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.489 2.196 4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.138 3.531 6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.855 4.482 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.506 5.821 5.660 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.363 6.298 4.115 1.00 0.00 H new ATOM 970 N ALA A 64 3.011 -1.792 4.256 1.00 0.00 N ATOM 971 CA ALA A 64 3.499 -3.130 4.521 1.00 0.00 C ATOM 972 C ALA A 64 5.007 -3.143 4.344 1.00 0.00 C ATOM 973 O ALA A 64 5.518 -3.357 3.241 1.00 0.00 O ATOM 974 CB ALA A 64 2.829 -4.139 3.599 1.00 0.00 C ATOM 0 H ALA A 64 3.187 -1.462 3.307 1.00 0.00 H new ATOM 0 HA ALA A 64 3.255 -3.415 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.210 -5.137 3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.751 -4.119 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.046 -3.884 2.562 1.00 0.00 H new ATOM 980 N VAL A 65 5.720 -2.884 5.430 1.00 0.00 N ATOM 981 CA VAL A 65 7.155 -2.658 5.355 1.00 0.00 C ATOM 982 C VAL A 65 7.893 -3.293 6.526 1.00 0.00 C ATOM 983 O VAL A 65 7.331 -3.479 7.607 1.00 0.00 O ATOM 984 CB VAL A 65 7.487 -1.143 5.330 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.935 -0.477 4.079 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.951 -0.451 6.577 1.00 0.00 C ATOM 0 H VAL A 65 5.330 -2.825 6.371 1.00 0.00 H new ATOM 0 HA VAL A 65 7.487 -3.124 4.427 1.00 0.00 H new ATOM 0 HB VAL A 65 8.572 -1.044 5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.184 0.584 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.373 -0.942 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.852 -0.595 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.196 0.610 6.538 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.869 -0.573 6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.405 -0.895 7.463 1.00 0.00 H new ATOM 996 N ASP A 66 9.148 -3.641 6.286 1.00 0.00 N ATOM 997 CA ASP A 66 10.053 -4.050 7.353 1.00 0.00 C ATOM 998 C ASP A 66 11.038 -2.932 7.641 1.00 0.00 C ATOM 999 O ASP A 66 11.649 -2.883 8.708 1.00 0.00 O ATOM 1000 CB ASP A 66 10.833 -5.316 6.987 1.00 0.00 C ATOM 1001 CG ASP A 66 10.072 -6.592 7.277 1.00 0.00 C ATOM 1002 OD1 ASP A 66 9.421 -6.676 8.344 1.00 0.00 O ATOM 1003 OD2 ASP A 66 10.154 -7.531 6.457 1.00 0.00 O ATOM 0 H ASP A 66 9.566 -3.649 5.356 1.00 0.00 H new ATOM 0 HA ASP A 66 9.447 -4.265 8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.086 -5.285 5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.773 -5.328 7.539 1.00 0.00 H new ATOM 1008 N THR A 67 11.183 -2.033 6.677 1.00 0.00 N ATOM 1009 CA THR A 67 12.144 -0.951 6.781 1.00 0.00 C ATOM 1010 C THR A 67 11.450 0.397 6.566 1.00 0.00 C ATOM 1011 O THR A 67 10.223 0.461 6.472 1.00 0.00 O ATOM 1012 CB THR A 67 13.304 -1.138 5.766 1.00 0.00 C ATOM 1013 OG1 THR A 67 14.351 -0.186 6.009 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.814 -0.998 4.331 1.00 0.00 C ATOM 0 H THR A 67 10.643 -2.035 5.812 1.00 0.00 H new ATOM 0 HA THR A 67 12.571 -0.967 7.784 1.00 0.00 H new ATOM 0 HB THR A 67 13.695 -2.146 5.903 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.073 -0.321 5.360 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.651 -1.134 3.646 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.054 -1.753 4.131 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.386 -0.006 4.188 1.00 0.00 H new ATOM 1022 N LYS A 68 12.238 1.456 6.492 1.00 0.00 N ATOM 1023 CA LYS A 68 11.717 2.810 6.378 1.00 0.00 C ATOM 1024 C LYS A 68 11.261 3.122 4.953 1.00 0.00 C ATOM 1025 O LYS A 68 11.653 2.452 3.995 1.00 0.00 O ATOM 1026 CB LYS A 68 12.791 3.812 6.806 1.00 0.00 C ATOM 1027 CG LYS A 68 14.045 3.749 5.948 1.00 0.00 C ATOM 1028 CD LYS A 68 15.152 4.632 6.492 1.00 0.00 C ATOM 1029 CE LYS A 68 16.396 4.549 5.625 1.00 0.00 C ATOM 1030 NZ LYS A 68 17.529 5.296 6.221 1.00 0.00 N ATOM 0 H LYS A 68 13.256 1.403 6.509 1.00 0.00 H new ATOM 0 HA LYS A 68 10.849 2.891 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.378 4.820 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.060 3.625 7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.396 2.719 5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.804 4.056 4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.807 5.665 6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.395 4.330 7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.678 3.505 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.177 4.949 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.361 5.217 5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.268 6.297 6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.754 4.898 7.155 1.00 0.00 H new ATOM 1044 N VAL A 69 10.438 4.153 4.831 1.00 0.00 N ATOM 1045 CA VAL A 69 9.950 4.617 3.542 1.00 0.00 C ATOM 1046 C VAL A 69 10.491 6.021 3.276 1.00 0.00 C ATOM 1047 O VAL A 69 10.636 6.812 4.205 1.00 0.00 O ATOM 1048 CB VAL A 69 8.404 4.639 3.511 1.00 0.00 C ATOM 1049 CG1 VAL A 69 7.887 5.058 2.142 1.00 0.00 C ATOM 1050 CG2 VAL A 69 7.839 3.280 3.900 1.00 0.00 C ATOM 0 H VAL A 69 10.090 4.692 5.624 1.00 0.00 H new ATOM 0 HA VAL A 69 10.296 3.931 2.769 1.00 0.00 H new ATOM 0 HB VAL A 69 8.067 5.377 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.797 5.064 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.254 6.057 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.240 4.354 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.750 3.317 3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.195 2.524 3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.167 3.024 4.907 1.00 0.00 H new ATOM 1060 N ARG A 70 10.806 6.329 2.026 1.00 0.00 N ATOM 1061 CA ARG A 70 11.345 7.641 1.691 1.00 0.00 C ATOM 1062 C ARG A 70 10.233 8.602 1.291 1.00 0.00 C ATOM 1063 O ARG A 70 10.234 9.769 1.684 1.00 0.00 O ATOM 1064 CB ARG A 70 12.380 7.542 0.570 1.00 0.00 C ATOM 1065 CG ARG A 70 13.573 6.664 0.911 1.00 0.00 C ATOM 1066 CD ARG A 70 14.777 7.016 0.053 1.00 0.00 C ATOM 1067 NE ARG A 70 15.291 8.350 0.367 1.00 0.00 N ATOM 1068 CZ ARG A 70 16.020 9.092 -0.467 1.00 0.00 C ATOM 1069 NH1 ARG A 70 16.309 8.652 -1.687 1.00 0.00 N ATOM 1070 NH2 ARG A 70 16.457 10.284 -0.079 1.00 0.00 N ATOM 0 H ARG A 70 10.699 5.696 1.233 1.00 0.00 H new ATOM 0 HA ARG A 70 11.837 8.030 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.896 7.150 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.736 8.543 0.327 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.826 6.783 1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.311 5.616 0.763 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.563 6.277 0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.500 6.971 -1.000 1.00 0.00 H new ATOM 0 HE ARG A 70 15.077 8.738 1.286 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.972 7.739 -1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.867 9.227 -2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 70 16.235 10.630 0.855 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.015 10.854 -0.714 1.00 0.00 H new ATOM 1084 N ASN A 71 9.271 8.107 0.526 1.00 0.00 N ATOM 1085 CA ASN A 71 8.171 8.941 0.051 1.00 0.00 C ATOM 1086 C ASN A 71 7.121 9.139 1.132 1.00 0.00 C ATOM 1087 O ASN A 71 6.181 9.910 0.950 1.00 0.00 O ATOM 1088 CB ASN A 71 7.529 8.356 -1.209 1.00 0.00 C ATOM 1089 CG ASN A 71 8.434 8.484 -2.420 1.00 0.00 C ATOM 1090 OD1 ASN A 71 8.291 7.578 -3.369 1.00 0.00 O flip ATOM 1091 ND2 ASN A 71 9.256 9.399 -2.504 1.00 0.00 N flip ATOM 0 H ASN A 71 9.228 7.135 0.220 1.00 0.00 H new ATOM 0 HA ASN A 71 8.593 9.914 -0.201 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.294 7.305 -1.042 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.586 8.866 -1.406 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.338 10.081 -1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.854 9.474 -3.327 1.00 0.00 H new ATOM 1098 N LYS A 72 7.297 8.445 2.259 1.00 0.00 N ATOM 1099 CA LYS A 72 6.343 8.480 3.374 1.00 0.00 C ATOM 1100 C LYS A 72 5.950 9.910 3.750 1.00 0.00 C ATOM 1101 O LYS A 72 4.874 10.131 4.292 1.00 0.00 O ATOM 1102 CB LYS A 72 6.924 7.772 4.602 1.00 0.00 C ATOM 1103 CG LYS A 72 8.127 8.477 5.210 1.00 0.00 C ATOM 1104 CD LYS A 72 8.602 7.773 6.470 1.00 0.00 C ATOM 1105 CE LYS A 72 9.726 8.541 7.148 1.00 0.00 C ATOM 1106 NZ LYS A 72 9.289 9.884 7.609 1.00 0.00 N ATOM 0 H LYS A 72 8.103 7.843 2.426 1.00 0.00 H new ATOM 0 HA LYS A 72 5.446 7.959 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.146 7.684 5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.212 6.759 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.938 8.510 4.482 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.866 9.509 5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.767 7.661 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.945 6.769 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.093 7.968 7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.559 8.650 6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.749 10.107 8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.555 10.598 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.257 9.889 7.734 1.00 0.00 H new ATOM 1120 N GLU A 73 6.824 10.867 3.445 1.00 0.00 N ATOM 1121 CA GLU A 73 6.572 12.279 3.724 1.00 0.00 C ATOM 1122 C GLU A 73 5.217 12.731 3.176 1.00 0.00 C ATOM 1123 O GLU A 73 4.484 13.456 3.843 1.00 0.00 O ATOM 1124 CB GLU A 73 7.680 13.137 3.110 1.00 0.00 C ATOM 1125 CG GLU A 73 9.079 12.729 3.540 1.00 0.00 C ATOM 1126 CD GLU A 73 9.266 12.790 5.039 1.00 0.00 C ATOM 1127 OE1 GLU A 73 9.531 13.888 5.563 1.00 0.00 O ATOM 1128 OE2 GLU A 73 9.145 11.736 5.699 1.00 0.00 O ATOM 0 H GLU A 73 7.723 10.687 2.999 1.00 0.00 H new ATOM 0 HA GLU A 73 6.559 12.404 4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.612 13.079 2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.515 14.179 3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.281 11.716 3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.808 13.382 3.060 1.00 0.00 H new ATOM 1135 N ARG A 74 4.889 12.301 1.961 1.00 0.00 N ATOM 1136 CA ARG A 74 3.643 12.707 1.322 1.00 0.00 C ATOM 1137 C ARG A 74 2.458 11.879 1.822 1.00 0.00 C ATOM 1138 O ARG A 74 1.319 12.344 1.816 1.00 0.00 O ATOM 1139 CB ARG A 74 3.786 12.584 -0.195 1.00 0.00 C ATOM 1140 CG ARG A 74 4.071 11.168 -0.665 1.00 0.00 C ATOM 1141 CD ARG A 74 4.871 11.167 -1.951 1.00 0.00 C ATOM 1142 NE ARG A 74 6.184 11.794 -1.791 1.00 0.00 N ATOM 1143 CZ ARG A 74 7.083 11.902 -2.774 1.00 0.00 C ATOM 1144 NH1 ARG A 74 6.875 11.306 -3.944 1.00 0.00 N ATOM 1145 NH2 ARG A 74 8.205 12.583 -2.573 1.00 0.00 N ATOM 0 H ARG A 74 5.467 11.674 1.402 1.00 0.00 H new ATOM 0 HA ARG A 74 3.443 13.746 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.870 12.938 -0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.591 13.238 -0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.619 10.629 0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.131 10.637 -0.818 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.001 10.141 -2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.312 11.693 -2.724 1.00 0.00 H new ATOM 0 HE ARG A 74 6.427 12.171 -0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.025 10.762 -4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.565 11.392 -4.690 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.380 13.023 -1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.892 12.666 -3.322 1.00 0.00 H new ATOM 1159 N PHE A 75 2.730 10.651 2.248 1.00 0.00 N ATOM 1160 CA PHE A 75 1.693 9.771 2.770 1.00 0.00 C ATOM 1161 C PHE A 75 1.323 10.155 4.202 1.00 0.00 C ATOM 1162 O PHE A 75 0.190 9.941 4.636 1.00 0.00 O ATOM 1163 CB PHE A 75 2.166 8.316 2.736 1.00 0.00 C ATOM 1164 CG PHE A 75 2.552 7.815 1.369 1.00 0.00 C ATOM 1165 CD1 PHE A 75 1.593 7.345 0.491 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.878 7.793 0.975 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.949 6.861 -0.753 1.00 0.00 C ATOM 1168 CE2 PHE A 75 4.240 7.316 -0.269 1.00 0.00 C ATOM 1169 CZ PHE A 75 3.274 6.848 -1.134 1.00 0.00 C ATOM 0 H PHE A 75 3.664 10.242 2.242 1.00 0.00 H new ATOM 0 HA PHE A 75 0.811 9.879 2.139 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.022 8.210 3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.374 7.681 3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.553 7.356 0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.640 8.154 1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.190 6.493 -1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.279 7.310 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.554 6.472 -2.107 1.00 0.00 H new ATOM 1179 N ASP A 76 2.285 10.713 4.928 1.00 0.00 N ATOM 1180 CA ASP A 76 2.077 11.113 6.317 1.00 0.00 C ATOM 1181 C ASP A 76 1.074 12.257 6.402 1.00 0.00 C ATOM 1182 O ASP A 76 1.206 13.268 5.711 1.00 0.00 O ATOM 1183 CB ASP A 76 3.404 11.525 6.958 1.00 0.00 C ATOM 1184 CG ASP A 76 3.275 11.832 8.438 1.00 0.00 C ATOM 1185 OD1 ASP A 76 3.134 10.882 9.239 1.00 0.00 O ATOM 1186 OD2 ASP A 76 3.333 13.022 8.814 1.00 0.00 O ATOM 0 H ASP A 76 3.224 10.900 4.575 1.00 0.00 H new ATOM 0 HA ASP A 76 1.675 10.259 6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.132 10.725 6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.793 12.403 6.443 1.00 0.00 H new ATOM 1191 N GLY A 77 0.066 12.085 7.244 1.00 0.00 N ATOM 1192 CA GLY A 77 -0.995 13.068 7.347 1.00 0.00 C ATOM 1193 C GLY A 77 -2.258 12.581 6.672 1.00 0.00 C ATOM 1194 O GLY A 77 -3.328 13.179 6.807 1.00 0.00 O ATOM 0 H GLY A 77 -0.037 11.279 7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.199 13.279 8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.673 14.004 6.890 1.00 0.00 H new ATOM 1198 N LYS A 78 -2.122 11.491 5.932 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.249 10.850 5.281 1.00 0.00 C ATOM 1200 C LYS A 78 -3.688 9.642 6.095 1.00 0.00 C ATOM 1201 O LYS A 78 -3.035 9.286 7.074 1.00 0.00 O ATOM 1202 CB LYS A 78 -2.861 10.443 3.858 1.00 0.00 C ATOM 1203 CG LYS A 78 -2.731 11.632 2.917 1.00 0.00 C ATOM 1204 CD LYS A 78 -1.957 11.300 1.649 1.00 0.00 C ATOM 1205 CE LYS A 78 -2.530 10.105 0.903 1.00 0.00 C ATOM 1206 NZ LYS A 78 -4.007 10.185 0.734 1.00 0.00 N ATOM 0 H LYS A 78 -1.228 11.028 5.767 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.085 11.547 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.915 9.902 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.610 9.755 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.726 11.986 2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.232 12.449 3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.959 12.168 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.917 11.097 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.060 10.035 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.279 9.191 1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.274 9.772 -0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.473 9.659 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.307 11.180 0.765 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.781 9.014 5.700 1.00 0.00 N ATOM 1221 CA VAL A 79 -5.302 7.878 6.452 1.00 0.00 C ATOM 1222 C VAL A 79 -4.589 6.599 6.019 1.00 0.00 C ATOM 1223 O VAL A 79 -4.594 6.239 4.841 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.839 7.744 6.305 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -7.247 7.648 4.849 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -7.355 6.549 7.090 1.00 0.00 C ATOM 0 H VAL A 79 -5.323 9.265 4.873 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.104 8.050 7.510 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.291 8.646 6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.331 7.555 4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.926 8.546 4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.778 6.774 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.436 6.475 6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.886 5.639 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.113 6.675 8.145 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.945 5.926 6.964 1.00 0.00 N ATOM 1237 CA VAL A 80 -3.077 4.812 6.620 1.00 0.00 C ATOM 1238 C VAL A 80 -3.503 3.514 7.303 1.00 0.00 C ATOM 1239 O VAL A 80 -4.225 3.517 8.302 1.00 0.00 O ATOM 1240 CB VAL A 80 -1.593 5.103 6.971 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -1.184 6.499 6.520 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -1.330 4.916 8.457 1.00 0.00 C ATOM 0 H VAL A 80 -4.007 6.130 7.962 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.172 4.689 5.541 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.981 4.382 6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.140 6.674 6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.309 6.584 5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.810 7.240 7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.282 5.127 8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.961 5.598 9.027 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.558 3.888 8.740 1.00 0.00 H new ATOM 1252 N LEU A 81 -3.039 2.408 6.740 1.00 0.00 N ATOM 1253 CA LEU A 81 -3.258 1.086 7.299 1.00 0.00 C ATOM 1254 C LEU A 81 -1.912 0.365 7.383 1.00 0.00 C ATOM 1255 O LEU A 81 -1.370 -0.081 6.373 1.00 0.00 O ATOM 1256 CB LEU A 81 -4.269 0.313 6.429 1.00 0.00 C ATOM 1257 CG LEU A 81 -4.790 -1.023 6.994 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -3.815 -2.157 6.717 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -5.060 -0.909 8.489 1.00 0.00 C ATOM 0 H LEU A 81 -2.496 2.405 5.876 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.679 1.156 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.125 0.962 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.805 0.116 5.462 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.728 -1.252 6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.211 -3.086 7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.679 -2.265 5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.855 -1.934 7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.427 -1.864 8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.138 -0.645 9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.809 -0.137 8.666 1.00 0.00 H new ATOM 1271 N GLU A 82 -1.362 0.296 8.586 1.00 0.00 N ATOM 1272 CA GLU A 82 -0.029 -0.258 8.795 1.00 0.00 C ATOM 1273 C GLU A 82 -0.092 -1.742 9.153 1.00 0.00 C ATOM 1274 O GLU A 82 -0.709 -2.118 10.151 1.00 0.00 O ATOM 1275 CB GLU A 82 0.669 0.508 9.917 1.00 0.00 C ATOM 1276 CG GLU A 82 2.132 0.144 10.088 1.00 0.00 C ATOM 1277 CD GLU A 82 2.712 0.679 11.379 1.00 0.00 C ATOM 1278 OE1 GLU A 82 3.077 1.873 11.434 1.00 0.00 O ATOM 1279 OE2 GLU A 82 2.789 -0.093 12.356 1.00 0.00 O ATOM 0 H GLU A 82 -1.820 0.618 9.438 1.00 0.00 H new ATOM 0 HA GLU A 82 0.532 -0.157 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.591 1.577 9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.145 0.319 10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.239 -0.941 10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.702 0.537 9.246 1.00 0.00 H new ATOM 1286 N VAL A 83 0.564 -2.573 8.351 1.00 0.00 N ATOM 1287 CA VAL A 83 0.621 -4.013 8.593 1.00 0.00 C ATOM 1288 C VAL A 83 2.012 -4.555 8.260 1.00 0.00 C ATOM 1289 O VAL A 83 2.806 -3.876 7.612 1.00 0.00 O ATOM 1290 CB VAL A 83 -0.427 -4.788 7.756 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.829 -4.578 8.305 1.00 0.00 C ATOM 1292 CG2 VAL A 83 -0.359 -4.381 6.290 1.00 0.00 C ATOM 0 H VAL A 83 1.070 -2.271 7.518 1.00 0.00 H new ATOM 0 HA VAL A 83 0.399 -4.163 9.650 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.191 -5.850 7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.544 -5.133 7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.874 -4.933 9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.076 -3.517 8.276 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.104 -4.939 5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.558 -3.313 6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.634 -4.600 5.897 1.00 0.00 H new ATOM 1302 N PRO A 84 2.339 -5.772 8.725 1.00 0.00 N ATOM 1303 CA PRO A 84 3.584 -6.447 8.346 1.00 0.00 C ATOM 1304 C PRO A 84 3.624 -6.731 6.847 1.00 0.00 C ATOM 1305 O PRO A 84 2.584 -6.959 6.227 1.00 0.00 O ATOM 1306 CB PRO A 84 3.548 -7.761 9.137 1.00 0.00 C ATOM 1307 CG PRO A 84 2.554 -7.530 10.225 1.00 0.00 C ATOM 1308 CD PRO A 84 1.544 -6.574 9.666 1.00 0.00 C ATOM 0 HA PRO A 84 4.464 -5.842 8.562 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.251 -8.596 8.502 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.530 -8.003 9.544 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.081 -8.465 10.526 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.035 -7.116 11.111 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.728 -7.095 9.164 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.097 -5.957 10.445 1.00 0.00 H new ATOM 1316 N VAL A 85 4.819 -6.728 6.272 1.00 0.00 N ATOM 1317 CA VAL A 85 4.983 -6.930 4.833 1.00 0.00 C ATOM 1318 C VAL A 85 4.524 -8.334 4.417 1.00 0.00 C ATOM 1319 O VAL A 85 4.153 -8.569 3.268 1.00 0.00 O ATOM 1320 CB VAL A 85 6.451 -6.697 4.403 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.371 -7.741 5.010 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.581 -6.677 2.887 1.00 0.00 C ATOM 0 H VAL A 85 5.693 -6.588 6.779 1.00 0.00 H new ATOM 0 HA VAL A 85 4.355 -6.198 4.325 1.00 0.00 H new ATOM 0 HB VAL A 85 6.755 -5.721 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.396 -7.552 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.314 -7.688 6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.064 -8.733 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.623 -6.512 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.246 -7.631 2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.967 -5.874 2.480 1.00 0.00 H new ATOM 1332 N SER A 86 4.543 -9.257 5.367 1.00 0.00 N ATOM 1333 CA SER A 86 4.111 -10.626 5.131 1.00 0.00 C ATOM 1334 C SER A 86 2.585 -10.737 5.038 1.00 0.00 C ATOM 1335 O SER A 86 2.058 -11.700 4.478 1.00 0.00 O ATOM 1336 CB SER A 86 4.647 -11.512 6.252 1.00 0.00 C ATOM 1337 OG SER A 86 4.598 -10.827 7.494 1.00 0.00 O ATOM 0 H SER A 86 4.858 -9.079 6.321 1.00 0.00 H new ATOM 0 HA SER A 86 4.510 -10.956 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.059 -12.428 6.312 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.673 -11.806 6.032 1.00 0.00 H new ATOM 0 HG SER A 86 4.943 -11.409 8.203 1.00 0.00 H new ATOM 1343 N ALA A 87 1.882 -9.741 5.575 1.00 0.00 N ATOM 1344 CA ALA A 87 0.421 -9.784 5.664 1.00 0.00 C ATOM 1345 C ALA A 87 -0.264 -9.813 4.288 1.00 0.00 C ATOM 1346 O ALA A 87 -1.072 -10.706 4.030 1.00 0.00 O ATOM 1347 CB ALA A 87 -0.108 -8.624 6.501 1.00 0.00 C ATOM 0 H ALA A 87 2.300 -8.892 5.956 1.00 0.00 H new ATOM 0 HA ALA A 87 0.171 -10.722 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.195 -8.678 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.306 -8.683 7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.187 -7.680 6.042 1.00 0.00 H new ATOM 1353 N PRO A 88 0.038 -8.858 3.373 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.619 -8.790 2.055 1.00 0.00 C ATOM 1355 C PRO A 88 -0.299 -9.987 1.160 1.00 0.00 C ATOM 1356 O PRO A 88 -0.821 -10.103 0.055 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.069 -7.502 1.428 1.00 0.00 C ATOM 1358 CG PRO A 88 0.519 -6.736 2.561 1.00 0.00 C ATOM 1359 CD PRO A 88 1.012 -7.762 3.534 1.00 0.00 C ATOM 0 HA PRO A 88 -1.704 -8.801 2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.683 -7.723 0.670 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.860 -6.934 0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.334 -6.097 2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.225 -6.086 3.021 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.027 -8.085 3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.025 -7.379 4.554 1.00 0.00 H new ATOM 1367 N ILE A 89 0.561 -10.870 1.637 1.00 0.00 N ATOM 1368 CA ILE A 89 0.888 -12.079 0.902 1.00 0.00 C ATOM 1369 C ILE A 89 -0.161 -13.156 1.163 1.00 0.00 C ATOM 1370 O ILE A 89 -0.636 -13.819 0.239 1.00 0.00 O ATOM 1371 CB ILE A 89 2.290 -12.608 1.290 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.359 -11.563 0.953 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.588 -13.926 0.585 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.756 -11.951 1.393 1.00 0.00 C ATOM 0 H ILE A 89 1.045 -10.772 2.529 1.00 0.00 H new ATOM 0 HA ILE A 89 0.896 -11.833 -0.160 1.00 0.00 H new ATOM 0 HB ILE A 89 2.305 -12.791 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.361 -11.394 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.090 -10.617 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.579 -14.277 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.842 -14.668 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.556 -13.777 -0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.456 -11.162 1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.771 -12.091 2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.047 -12.880 0.903 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.528 -13.316 2.428 1.00 0.00 N ATOM 1387 CA LYS A 90 -1.468 -14.355 2.824 1.00 0.00 C ATOM 1388 C LYS A 90 -2.895 -13.812 2.933 1.00 0.00 C ATOM 1389 O LYS A 90 -3.863 -14.537 2.710 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.031 -14.967 4.161 1.00 0.00 C ATOM 1391 CG LYS A 90 -1.888 -16.141 4.606 1.00 0.00 C ATOM 1392 CD LYS A 90 -1.783 -17.310 3.639 1.00 0.00 C ATOM 1393 CE LYS A 90 -2.784 -18.401 3.979 1.00 0.00 C ATOM 1394 NZ LYS A 90 -4.185 -17.920 3.842 1.00 0.00 N ATOM 0 H LYS A 90 -0.188 -12.739 3.197 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.466 -15.125 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.005 -15.296 4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.060 -14.195 4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.578 -16.462 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.928 -15.824 4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.956 -16.959 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.773 -17.719 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.627 -19.257 3.323 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.615 -18.746 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.724 -18.586 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.624 -17.857 4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.188 -16.981 3.395 1.00 0.00 H new ATOM 1408 N ASP A 91 -3.020 -12.536 3.264 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.326 -11.939 3.532 1.00 0.00 C ATOM 1410 C ASP A 91 -4.519 -10.633 2.771 1.00 0.00 C ATOM 1411 O ASP A 91 -5.036 -9.663 3.323 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.509 -11.694 5.033 1.00 0.00 C ATOM 1413 CG ASP A 91 -5.236 -12.830 5.725 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -6.487 -12.834 5.719 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -4.568 -13.723 6.287 1.00 0.00 O ATOM 0 H ASP A 91 -2.235 -11.891 3.354 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.080 -12.647 3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.532 -11.557 5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.065 -10.768 5.181 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.118 -10.613 1.504 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.200 -9.405 0.683 1.00 0.00 C ATOM 1422 C ALA A 92 -5.602 -8.797 0.701 1.00 0.00 C ATOM 1423 O ALA A 92 -5.764 -7.608 0.976 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.789 -9.717 -0.747 1.00 0.00 C ATOM 0 H ALA A 92 -3.731 -11.423 1.019 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.515 -8.672 1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.854 -8.811 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.764 -10.088 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.454 -10.476 -1.159 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.612 -9.618 0.424 1.00 0.00 N ATOM 1431 CA GLU A 93 -7.999 -9.152 0.405 1.00 0.00 C ATOM 1432 C GLU A 93 -8.396 -8.598 1.771 1.00 0.00 C ATOM 1433 O GLU A 93 -9.182 -7.656 1.872 1.00 0.00 O ATOM 1434 CB GLU A 93 -8.965 -10.283 0.029 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.484 -11.179 -1.101 1.00 0.00 C ATOM 1436 CD GLU A 93 -7.567 -12.283 -0.615 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -8.077 -13.345 -0.199 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -6.336 -12.094 -0.635 1.00 0.00 O ATOM 0 H GLU A 93 -6.498 -10.609 0.210 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.065 -8.366 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.144 -10.898 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.922 -9.846 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.345 -11.621 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.960 -10.575 -1.841 1.00 0.00 H new ATOM 1445 N LYS A 94 -7.834 -9.186 2.817 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.148 -8.794 4.181 1.00 0.00 C ATOM 1447 C LYS A 94 -7.537 -7.428 4.481 1.00 0.00 C ATOM 1448 O LYS A 94 -8.155 -6.588 5.132 1.00 0.00 O ATOM 1449 CB LYS A 94 -7.610 -9.843 5.154 1.00 0.00 C ATOM 1450 CG LYS A 94 -8.312 -9.863 6.500 1.00 0.00 C ATOM 1451 CD LYS A 94 -9.765 -10.298 6.367 1.00 0.00 C ATOM 1452 CE LYS A 94 -9.896 -11.665 5.704 1.00 0.00 C ATOM 1453 NZ LYS A 94 -9.186 -12.733 6.459 1.00 0.00 N ATOM 0 H LYS A 94 -7.153 -9.942 2.745 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.229 -8.726 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.700 -10.828 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.547 -9.662 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.789 -10.541 7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.268 -8.871 6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.226 -10.329 7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.312 -9.558 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.951 -11.925 5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.497 -11.614 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.622 -13.654 6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.185 -12.751 6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.254 -12.541 7.479 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.324 -7.215 3.980 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.635 -5.938 4.129 1.00 0.00 C ATOM 1469 C VAL A 95 -6.403 -4.830 3.411 1.00 0.00 C ATOM 1470 O VAL A 95 -6.508 -3.707 3.908 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.193 -6.010 3.578 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.473 -4.684 3.758 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.417 -7.133 4.251 1.00 0.00 C ATOM 0 H VAL A 95 -5.794 -7.917 3.463 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.587 -5.712 5.194 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.252 -6.221 2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.461 -4.763 3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.012 -3.902 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.429 -4.435 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.404 -7.167 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.375 -6.953 5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.915 -8.084 4.061 1.00 0.00 H new ATOM 1483 N ILE A 96 -6.951 -5.162 2.247 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.770 -4.224 1.486 1.00 0.00 C ATOM 1485 C ILE A 96 -9.022 -3.850 2.278 1.00 0.00 C ATOM 1486 O ILE A 96 -9.416 -2.684 2.332 1.00 0.00 O ATOM 1487 CB ILE A 96 -8.175 -4.819 0.121 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.927 -5.194 -0.681 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -9.034 -3.832 -0.661 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -7.230 -5.930 -1.966 1.00 0.00 C ATOM 0 H ILE A 96 -6.843 -6.076 1.808 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.175 -3.328 1.309 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.763 -5.720 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.370 -4.287 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.280 -5.815 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.309 -4.270 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.936 -3.606 -0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.471 -2.914 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.298 -6.163 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.760 -6.855 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.851 -5.304 -2.606 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.630 -4.848 2.909 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.790 -4.622 3.766 1.00 0.00 C ATOM 1504 C ASN A 97 -10.415 -3.756 4.964 1.00 0.00 C ATOM 1505 O ASN A 97 -11.198 -2.913 5.401 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.381 -5.951 4.246 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.393 -6.528 3.273 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.589 -6.250 3.372 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -11.928 -7.333 2.331 1.00 0.00 N ATOM 0 H ASN A 97 -9.339 -5.823 2.844 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.543 -4.099 3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.575 -6.670 4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.858 -5.803 5.215 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.568 -7.748 1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.930 -7.538 2.283 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.208 -3.962 5.482 1.00 0.00 N ATOM 1517 CA ALA A 98 -8.702 -3.171 6.597 1.00 0.00 C ATOM 1518 C ALA A 98 -8.556 -1.705 6.200 1.00 0.00 C ATOM 1519 O ALA A 98 -8.874 -0.811 6.980 1.00 0.00 O ATOM 1520 CB ALA A 98 -7.374 -3.727 7.086 1.00 0.00 C ATOM 0 H ALA A 98 -8.560 -4.674 5.145 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.423 -3.232 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.011 -3.124 7.918 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.510 -4.757 7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.647 -3.699 6.274 1.00 0.00 H new ATOM 1526 N ALA A 99 -8.083 -1.467 4.980 1.00 0.00 N ATOM 1527 CA ALA A 99 -7.969 -0.119 4.448 1.00 0.00 C ATOM 1528 C ALA A 99 -9.339 0.543 4.398 1.00 0.00 C ATOM 1529 O ALA A 99 -9.499 1.712 4.754 1.00 0.00 O ATOM 1530 CB ALA A 99 -7.348 -0.155 3.060 1.00 0.00 C ATOM 0 H ALA A 99 -7.771 -2.198 4.340 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.324 0.465 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.267 0.860 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.355 -0.602 3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.976 -0.749 2.396 1.00 0.00 H new ATOM 1536 N LEU A 100 -10.329 -0.228 3.971 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.702 0.245 3.911 1.00 0.00 C ATOM 1538 C LEU A 100 -12.241 0.517 5.310 1.00 0.00 C ATOM 1539 O LEU A 100 -13.095 1.377 5.497 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.589 -0.779 3.197 1.00 0.00 C ATOM 1541 CG LEU A 100 -12.199 -1.078 1.747 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -13.092 -2.161 1.167 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -12.273 0.185 0.902 1.00 0.00 C ATOM 0 H LEU A 100 -10.204 -1.191 3.659 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.715 1.178 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.568 -1.711 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.618 -0.419 3.213 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.170 -1.438 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.800 -2.360 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.988 -3.072 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -14.130 -1.829 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.992 -0.048 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.290 0.576 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.589 0.933 1.304 1.00 0.00 H new ATOM 1555 N ALA A 101 -11.731 -0.212 6.293 1.00 0.00 N ATOM 1556 CA ALA A 101 -12.167 -0.052 7.673 1.00 0.00 C ATOM 1557 C ALA A 101 -11.678 1.265 8.272 1.00 0.00 C ATOM 1558 O ALA A 101 -12.223 1.740 9.265 1.00 0.00 O ATOM 1559 CB ALA A 101 -11.701 -1.228 8.517 1.00 0.00 C ATOM 0 H ALA A 101 -11.012 -0.923 6.159 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.257 -0.027 7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.035 -1.093 9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.121 -2.151 8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.613 -1.284 8.494 1.00 0.00 H new ATOM 1565 N LEU A 102 -10.660 1.855 7.662 1.00 0.00 N ATOM 1566 CA LEU A 102 -10.106 3.115 8.151 1.00 0.00 C ATOM 1567 C LEU A 102 -10.899 4.310 7.629 1.00 0.00 C ATOM 1568 O LEU A 102 -10.859 5.393 8.213 1.00 0.00 O ATOM 1569 CB LEU A 102 -8.634 3.246 7.747 1.00 0.00 C ATOM 1570 CG LEU A 102 -7.612 2.739 8.774 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -7.650 3.591 10.031 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -7.859 1.279 9.119 1.00 0.00 C ATOM 0 H LEU A 102 -10.200 1.485 6.830 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.178 3.108 9.239 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.483 2.703 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.425 4.296 7.542 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.621 2.819 8.327 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.919 3.216 10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.413 4.624 9.778 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.646 3.545 10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.120 0.947 9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.859 1.169 9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.776 0.673 8.217 1.00 0.00 H new ATOM 1584 N ILE A 103 -11.623 4.109 6.536 1.00 0.00 N ATOM 1585 CA ILE A 103 -12.374 5.195 5.910 1.00 0.00 C ATOM 1586 C ILE A 103 -13.883 4.971 5.994 1.00 0.00 C ATOM 1587 O ILE A 103 -14.662 5.924 5.955 1.00 0.00 O ATOM 1588 CB ILE A 103 -11.979 5.368 4.429 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -12.063 4.023 3.698 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -10.584 5.967 4.318 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -11.726 4.097 2.225 1.00 0.00 C ATOM 0 H ILE A 103 -11.708 3.209 6.064 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.121 6.099 6.464 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.679 6.056 3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.386 3.317 4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.071 3.624 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.320 6.083 3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.567 6.942 4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.865 5.306 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -11.809 3.104 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.418 4.776 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -10.707 4.464 2.103 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.290 3.715 6.110 1.00 0.00 N ATOM 1604 CA ASP A 104 -15.706 3.361 6.086 1.00 0.00 C ATOM 1605 C ASP A 104 -16.019 2.349 7.179 1.00 0.00 C ATOM 1606 O ASP A 104 -16.898 2.571 8.008 1.00 0.00 O ATOM 1607 CB ASP A 104 -16.062 2.771 4.721 1.00 0.00 C ATOM 1608 CG ASP A 104 -17.546 2.816 4.428 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -18.074 3.923 4.178 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -18.180 1.745 4.395 1.00 0.00 O ATOM 0 H ASP A 104 -13.660 2.921 6.222 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.297 4.260 6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -15.527 3.317 3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.719 1.737 4.677 1.00 0.00 H new