USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Single : A 1 LYS N :NH3+ -161:sc= -0.058 (180deg=-0.4) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -4.7! C(o=-4.7!,f=-13!) USER MOD Single : A 9 THR OG1 : rot 72:sc= 0.0262 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.0555 (180deg=-0.459) USER MOD Single : A 18 SER OG : rot -108:sc= 0.876 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -160:sc= -0.0777 (180deg=-0.44) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -4.66! C(o=-4.7!,f=-13!) USER MOD Single : B 9 THR OG1 : rot 70:sc= 0.0336 USER MOD Single : B 11 CYS SG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ -161:sc= -0.034 (180deg=-0.488) USER MOD Single : B 18 SER OG : rot -105:sc= 0.806 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : C 1 LYS N :NH3+ -160:sc= -0.0625 (180deg=-0.452) USER MOD Single : C 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 ASN : amide:sc= -4.5! C(o=-4.5!,f=-13!) USER MOD Single : C 9 THR OG1 : rot 71:sc= 0.0329 USER MOD Single : C 11 CYS SG : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 13 LYS NZ :NH3+ -161:sc= -0.0574 (180deg=-0.459) USER MOD Single : C 18 SER OG : rot -101:sc= 0.783 USER MOD Single : C 19 SER OG : rot 180:sc= 0 USER MOD Single : C 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.889 5.568 15.761 1.00 0.00 N ATOM 2 CA LYS A 1 -8.941 6.487 15.335 1.00 0.00 C ATOM 3 C LYS A 1 -8.345 7.652 14.562 1.00 0.00 C ATOM 4 O LYS A 1 -9.009 8.662 14.325 1.00 0.00 O ATOM 5 CB LYS A 1 -9.715 7.010 16.546 1.00 0.00 C ATOM 6 CG LYS A 1 -10.509 5.865 17.175 1.00 0.00 C ATOM 7 CD LYS A 1 -11.275 6.381 18.393 1.00 0.00 C ATOM 8 CE LYS A 1 -12.067 5.235 19.022 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.795 5.736 20.222 1.00 0.00 N ATOM 0 H3 LYS A 1 -8.308 4.645 15.993 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.627 5.945 14.684 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.026 7.433 17.277 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.389 7.811 16.242 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.204 5.447 16.446 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.835 5.061 17.470 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.581 6.800 19.121 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.950 7.184 18.098 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.773 4.827 18.299 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.394 4.425 19.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.334 4.957 20.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.112 6.106 20.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.448 6.495 19.940 1.00 0.00 H new ATOM 23 N ASN A 2 -7.082 7.513 14.188 1.00 0.00 N ATOM 24 CA ASN A 2 -6.393 8.573 13.460 1.00 0.00 C ATOM 25 C ASN A 2 -7.096 8.876 12.131 1.00 0.00 C ATOM 26 O ASN A 2 -7.719 7.997 11.536 1.00 0.00 O ATOM 27 CB ASN A 2 -4.941 8.156 13.190 1.00 0.00 C ATOM 28 CG ASN A 2 -4.906 6.778 12.543 1.00 0.00 C ATOM 29 OD1 ASN A 2 -5.831 5.986 12.718 1.00 0.00 O ATOM 30 ND2 ASN A 2 -3.886 6.443 11.799 1.00 0.00 N ATOM 0 H ASN A 2 -6.516 6.685 14.373 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.410 9.475 14.072 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.460 8.885 12.538 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.378 8.143 14.123 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.855 5.522 11.361 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.121 7.102 11.656 1.00 0.00 H new ATOM 37 N PRO A 3 -7.005 10.099 11.657 1.00 0.00 N ATOM 38 CA PRO A 3 -7.645 10.513 10.366 1.00 0.00 C ATOM 39 C PRO A 3 -7.040 9.778 9.166 1.00 0.00 C ATOM 40 O PRO A 3 -7.643 9.708 8.095 1.00 0.00 O ATOM 41 CB PRO A 3 -7.384 12.032 10.300 1.00 0.00 C ATOM 42 CG PRO A 3 -6.197 12.264 11.179 1.00 0.00 C ATOM 43 CD PRO A 3 -6.297 11.230 12.295 1.00 0.00 C ATOM 0 HA PRO A 3 -8.706 10.268 10.329 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.186 12.353 9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.249 12.596 10.649 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.268 12.148 10.620 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.201 13.276 11.583 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.312 10.934 12.657 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.849 11.617 13.152 1.00 0.00 H new ATOM 51 N GLU A 4 -5.850 9.230 9.359 1.00 0.00 N ATOM 52 CA GLU A 4 -5.167 8.500 8.298 1.00 0.00 C ATOM 53 C GLU A 4 -5.954 7.248 7.918 1.00 0.00 C ATOM 54 O GLU A 4 -5.670 6.600 6.907 1.00 0.00 O ATOM 55 CB GLU A 4 -3.755 8.115 8.741 1.00 0.00 C ATOM 56 CG GLU A 4 -2.906 9.380 8.883 1.00 0.00 C ATOM 57 CD GLU A 4 -1.515 9.017 9.393 1.00 0.00 C ATOM 58 OE1 GLU A 4 -0.707 9.918 9.546 1.00 0.00 O ATOM 59 OE2 GLU A 4 -1.278 7.841 9.616 1.00 0.00 O ATOM 0 H GLU A 4 -5.336 9.276 10.239 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.098 9.149 7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.793 7.580 9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.304 7.441 8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.829 9.887 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.386 10.075 9.572 1.00 0.00 H new ATOM 66 N ALA A 5 -6.938 6.908 8.742 1.00 0.00 N ATOM 67 CA ALA A 5 -7.754 5.727 8.497 1.00 0.00 C ATOM 68 C ALA A 5 -8.415 5.821 7.125 1.00 0.00 C ATOM 69 O ALA A 5 -8.629 4.806 6.462 1.00 0.00 O ATOM 70 CB ALA A 5 -8.830 5.603 9.582 1.00 0.00 C ATOM 0 H ALA A 5 -7.189 7.431 9.581 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.114 4.845 8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.437 4.718 9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.354 5.515 10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.465 6.488 9.567 1.00 0.00 H new ATOM 76 N GLU A 6 -8.727 7.038 6.694 1.00 0.00 N ATOM 77 CA GLU A 6 -9.348 7.232 5.391 1.00 0.00 C ATOM 78 C GLU A 6 -8.417 6.737 4.287 1.00 0.00 C ATOM 79 O GLU A 6 -8.858 6.118 3.319 1.00 0.00 O ATOM 80 CB GLU A 6 -9.655 8.720 5.184 1.00 0.00 C ATOM 81 CG GLU A 6 -10.810 9.146 6.097 1.00 0.00 C ATOM 82 CD GLU A 6 -10.315 9.325 7.527 1.00 0.00 C ATOM 83 OE1 GLU A 6 -9.873 10.417 7.847 1.00 0.00 O ATOM 84 OE2 GLU A 6 -10.375 8.366 8.279 1.00 0.00 O ATOM 0 H GLU A 6 -8.562 7.895 7.221 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.276 6.662 5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.769 9.317 5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.916 8.905 4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.243 10.079 5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.600 8.396 6.070 1.00 0.00 H new ATOM 91 N GLU A 7 -7.126 6.998 4.447 1.00 0.00 N ATOM 92 CA GLU A 7 -6.148 6.555 3.464 1.00 0.00 C ATOM 93 C GLU A 7 -6.105 5.034 3.421 1.00 0.00 C ATOM 94 O GLU A 7 -5.956 4.434 2.356 1.00 0.00 O ATOM 95 CB GLU A 7 -4.757 7.114 3.805 1.00 0.00 C ATOM 96 CG GLU A 7 -3.725 6.641 2.768 1.00 0.00 C ATOM 97 CD GLU A 7 -4.084 7.173 1.383 1.00 0.00 C ATOM 98 OE1 GLU A 7 -4.814 8.147 1.312 1.00 0.00 O ATOM 99 OE2 GLU A 7 -3.630 6.593 0.412 1.00 0.00 O ATOM 0 H GLU A 7 -6.736 7.508 5.239 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.443 6.929 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.790 8.203 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.459 6.786 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.731 6.986 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.691 5.552 2.749 1.00 0.00 H new ATOM 106 N ILE A 8 -6.214 4.418 4.588 1.00 0.00 N ATOM 107 CA ILE A 8 -6.158 2.961 4.676 1.00 0.00 C ATOM 108 C ILE A 8 -7.329 2.363 3.901 1.00 0.00 C ATOM 109 O ILE A 8 -7.170 1.372 3.186 1.00 0.00 O ATOM 110 CB ILE A 8 -6.231 2.512 6.141 1.00 0.00 C ATOM 111 CG1 ILE A 8 -5.136 3.241 6.948 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.035 0.973 6.252 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.756 3.038 6.316 1.00 0.00 C ATOM 0 H ILE A 8 -6.341 4.895 5.481 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.216 2.616 4.249 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.213 2.762 6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.364 4.306 6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.128 2.870 7.973 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.090 0.674 7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.817 0.465 5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.060 0.700 5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.005 3.563 6.906 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.520 1.974 6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.760 3.432 5.300 1.00 0.00 H new ATOM 125 N THR A 9 -8.504 2.965 4.049 1.00 0.00 N ATOM 126 CA THR A 9 -9.686 2.474 3.356 1.00 0.00 C ATOM 127 C THR A 9 -9.468 2.532 1.848 1.00 0.00 C ATOM 128 O THR A 9 -9.805 1.594 1.125 1.00 0.00 O ATOM 129 CB THR A 9 -10.901 3.326 3.733 1.00 0.00 C ATOM 130 OG1 THR A 9 -11.156 3.196 5.126 1.00 0.00 O ATOM 131 CG2 THR A 9 -12.122 2.866 2.937 1.00 0.00 C ATOM 0 H THR A 9 -8.661 3.784 4.636 1.00 0.00 H new ATOM 0 HA THR A 9 -9.865 1.440 3.652 1.00 0.00 H new ATOM 0 HB THR A 9 -10.698 4.371 3.499 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.466 3.675 5.631 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.984 3.475 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.923 2.974 1.871 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.331 1.820 3.163 1.00 0.00 H new ATOM 139 N ARG A 10 -8.887 3.629 1.382 1.00 0.00 N ATOM 140 CA ARG A 10 -8.616 3.783 -0.040 1.00 0.00 C ATOM 141 C ARG A 10 -7.616 2.730 -0.502 1.00 0.00 C ATOM 142 O ARG A 10 -7.738 2.183 -1.595 1.00 0.00 O ATOM 143 CB ARG A 10 -8.067 5.182 -0.331 1.00 0.00 C ATOM 144 CG ARG A 10 -9.185 6.215 -0.163 1.00 0.00 C ATOM 145 CD ARG A 10 -8.702 7.574 -0.667 1.00 0.00 C ATOM 146 NE ARG A 10 -7.643 8.089 0.196 1.00 0.00 N ATOM 147 CZ ARG A 10 -7.933 8.795 1.290 1.00 0.00 C ATOM 148 NH1 ARG A 10 -6.979 9.260 2.047 1.00 0.00 N ATOM 149 NH2 ARG A 10 -9.181 9.028 1.604 1.00 0.00 N ATOM 0 H ARG A 10 -8.597 4.417 1.961 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.551 3.651 -0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.243 5.409 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.668 5.224 -1.344 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.070 5.903 -0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.475 6.286 0.885 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.334 7.480 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.535 8.277 -0.691 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.668 7.906 -0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.004 9.085 1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.208 9.799 2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.931 8.670 1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.404 9.568 2.440 1.00 0.00 H new ATOM 163 N CYS A 11 -6.630 2.444 0.340 1.00 0.00 N ATOM 164 CA CYS A 11 -5.623 1.449 -0.002 1.00 0.00 C ATOM 165 C CYS A 11 -6.293 0.135 -0.383 1.00 0.00 C ATOM 166 O CYS A 11 -5.977 -0.456 -1.416 1.00 0.00 O ATOM 167 CB CYS A 11 -4.698 1.230 1.194 1.00 0.00 C ATOM 168 SG CYS A 11 -3.243 0.285 0.671 1.00 0.00 S ATOM 0 H CYS A 11 -6.507 2.881 1.253 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.041 1.806 -0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.391 2.190 1.610 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.227 0.696 1.983 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.456 0.101 1.689 1.00 0.00 H new ATOM 173 N LYS A 12 -7.231 -0.310 0.443 1.00 0.00 N ATOM 174 CA LYS A 12 -7.950 -1.546 0.163 1.00 0.00 C ATOM 175 C LYS A 12 -8.772 -1.415 -1.116 1.00 0.00 C ATOM 176 O LYS A 12 -8.815 -2.328 -1.942 1.00 0.00 O ATOM 177 CB LYS A 12 -8.879 -1.875 1.330 1.00 0.00 C ATOM 178 CG LYS A 12 -8.043 -2.295 2.542 1.00 0.00 C ATOM 179 CD LYS A 12 -8.957 -2.708 3.705 1.00 0.00 C ATOM 180 CE LYS A 12 -9.615 -1.472 4.334 1.00 0.00 C ATOM 181 NZ LYS A 12 -10.293 -1.867 5.600 1.00 0.00 N ATOM 0 H LYS A 12 -7.510 0.161 1.304 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.222 -2.347 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.490 -1.007 1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.563 -2.677 1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.390 -3.125 2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.400 -1.471 2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.725 -3.394 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.378 -3.243 4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.864 -0.708 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.336 -1.038 3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.740 -1.032 6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.020 -2.583 5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.593 -2.263 6.260 1.00 0.00 H new ATOM 195 N LYS A 13 -9.421 -0.266 -1.274 1.00 0.00 N ATOM 196 CA LYS A 13 -10.239 -0.009 -2.455 1.00 0.00 C ATOM 197 C LYS A 13 -9.376 0.024 -3.712 1.00 0.00 C ATOM 198 O LYS A 13 -9.777 -0.460 -4.769 1.00 0.00 O ATOM 199 CB LYS A 13 -11.000 1.309 -2.304 1.00 0.00 C ATOM 200 CG LYS A 13 -11.942 1.490 -3.496 1.00 0.00 C ATOM 201 CD LYS A 13 -12.777 2.755 -3.299 1.00 0.00 C ATOM 202 CE LYS A 13 -13.750 2.915 -4.468 1.00 0.00 C ATOM 203 NZ LYS A 13 -12.985 3.094 -5.733 1.00 0.00 N ATOM 0 H LYS A 13 -9.397 0.500 -0.601 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.960 -0.820 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.568 1.309 -1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.299 2.142 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.367 1.561 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.594 0.622 -3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.327 2.697 -2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.125 3.626 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.394 2.038 -4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.399 3.774 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.603 3.515 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.174 3.722 -5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.643 2.170 -6.066 1.00 0.00 H new ATOM 217 N LEU A 14 -8.188 0.603 -3.589 1.00 0.00 N ATOM 218 CA LEU A 14 -7.273 0.705 -4.719 1.00 0.00 C ATOM 219 C LEU A 14 -6.873 -0.681 -5.212 1.00 0.00 C ATOM 220 O LEU A 14 -6.821 -0.929 -6.416 1.00 0.00 O ATOM 221 CB LEU A 14 -6.023 1.480 -4.276 1.00 0.00 C ATOM 222 CG LEU A 14 -6.348 2.984 -4.128 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.316 3.665 -3.208 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.299 3.672 -5.501 1.00 0.00 C ATOM 0 H LEU A 14 -7.836 1.008 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.768 1.229 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.659 1.085 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.225 1.344 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.346 3.075 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.557 4.724 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.341 3.197 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.319 3.557 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.529 4.731 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.302 3.562 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.031 3.212 -6.165 1.00 0.00 H new ATOM 236 N LEU A 15 -6.611 -1.584 -4.280 1.00 0.00 N ATOM 237 CA LEU A 15 -6.237 -2.943 -4.639 1.00 0.00 C ATOM 238 C LEU A 15 -7.392 -3.646 -5.346 1.00 0.00 C ATOM 239 O LEU A 15 -7.189 -4.393 -6.300 1.00 0.00 O ATOM 240 CB LEU A 15 -5.837 -3.721 -3.389 1.00 0.00 C ATOM 241 CG LEU A 15 -4.515 -3.160 -2.838 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.237 -3.782 -1.469 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.343 -3.464 -3.801 1.00 0.00 C ATOM 0 H LEU A 15 -6.650 -1.403 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.387 -2.902 -5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.620 -3.645 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.725 -4.779 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.604 -2.078 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.301 -3.388 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.051 -3.538 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.161 -4.865 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.419 -3.057 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.242 -4.543 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.541 -3.007 -4.770 1.00 0.00 H new ATOM 255 N ASP A 16 -8.605 -3.398 -4.870 1.00 0.00 N ATOM 256 CA ASP A 16 -9.792 -4.015 -5.456 1.00 0.00 C ATOM 257 C ASP A 16 -9.956 -3.591 -6.914 1.00 0.00 C ATOM 258 O ASP A 16 -10.368 -4.383 -7.762 1.00 0.00 O ATOM 259 CB ASP A 16 -11.035 -3.610 -4.662 1.00 0.00 C ATOM 260 CG ASP A 16 -11.041 -4.313 -3.309 1.00 0.00 C ATOM 261 OD1 ASP A 16 -10.285 -5.257 -3.146 1.00 0.00 O ATOM 262 OD2 ASP A 16 -11.802 -3.894 -2.451 1.00 0.00 O ATOM 0 H ASP A 16 -8.795 -2.777 -4.083 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.672 -5.098 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.050 -2.529 -4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.934 -3.870 -5.220 1.00 0.00 H new ATOM 267 N ASP A 17 -9.631 -2.339 -7.197 1.00 0.00 N ATOM 268 CA ASP A 17 -9.743 -1.813 -8.552 1.00 0.00 C ATOM 269 C ASP A 17 -8.778 -2.536 -9.485 1.00 0.00 C ATOM 270 O ASP A 17 -8.844 -2.377 -10.702 1.00 0.00 O ATOM 271 CB ASP A 17 -9.449 -0.312 -8.566 1.00 0.00 C ATOM 272 CG ASP A 17 -10.599 0.448 -7.914 1.00 0.00 C ATOM 273 OD1 ASP A 17 -10.420 1.619 -7.622 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.643 -0.152 -7.716 1.00 0.00 O ATOM 0 H ASP A 17 -9.288 -1.668 -6.509 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.762 -1.978 -8.901 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.520 -0.110 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.310 0.031 -9.591 1.00 0.00 H new ATOM 279 N SER A 18 -7.877 -3.322 -8.910 1.00 0.00 N ATOM 280 CA SER A 18 -6.899 -4.050 -9.706 1.00 0.00 C ATOM 281 C SER A 18 -7.586 -4.989 -10.683 1.00 0.00 C ATOM 282 O SER A 18 -7.005 -5.388 -11.692 1.00 0.00 O ATOM 283 CB SER A 18 -5.987 -4.861 -8.792 1.00 0.00 C ATOM 284 OG SER A 18 -6.759 -5.836 -8.102 1.00 0.00 O ATOM 0 H SER A 18 -7.803 -3.471 -7.904 1.00 0.00 H new ATOM 0 HA SER A 18 -6.312 -3.324 -10.268 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.206 -5.346 -9.377 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.490 -4.203 -8.079 1.00 0.00 H new ATOM 0 HG SER A 18 -6.837 -5.583 -7.158 1.00 0.00 H new ATOM 290 N SER A 19 -8.822 -5.336 -10.376 1.00 0.00 N ATOM 291 CA SER A 19 -9.588 -6.236 -11.239 1.00 0.00 C ATOM 292 C SER A 19 -10.191 -5.479 -12.414 1.00 0.00 C ATOM 293 O SER A 19 -10.589 -6.073 -13.417 1.00 0.00 O ATOM 294 CB SER A 19 -10.706 -6.905 -10.438 1.00 0.00 C ATOM 295 OG SER A 19 -10.135 -7.707 -9.413 1.00 0.00 O ATOM 0 H SER A 19 -9.319 -5.016 -9.545 1.00 0.00 H new ATOM 0 HA SER A 19 -8.908 -6.996 -11.624 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.359 -6.149 -10.002 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.322 -7.519 -11.095 1.00 0.00 H new ATOM 0 HG SER A 19 -10.849 -8.136 -8.897 1.00 0.00 H new ATOM 301 N SER A 20 -10.239 -4.166 -12.281 1.00 0.00 N ATOM 302 CA SER A 20 -10.779 -3.308 -13.334 1.00 0.00 C ATOM 303 C SER A 20 -9.735 -3.058 -14.417 1.00 0.00 C ATOM 304 O SER A 20 -8.533 -3.048 -14.146 1.00 0.00 O ATOM 305 CB SER A 20 -11.243 -1.973 -12.751 1.00 0.00 C ATOM 306 OG SER A 20 -12.235 -2.213 -11.761 1.00 0.00 O ATOM 0 H SER A 20 -9.912 -3.665 -11.455 1.00 0.00 H new ATOM 0 HA SER A 20 -11.632 -3.820 -13.779 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.398 -1.440 -12.314 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.646 -1.339 -13.540 1.00 0.00 H new ATOM 0 HG SER A 20 -12.534 -1.359 -11.384 1.00 0.00 H new ATOM 313 N LYS B 1 -10.202 -2.847 -15.642 1.00 0.00 N ATOM 314 CA LYS B 1 -9.305 -2.584 -16.763 1.00 0.00 C ATOM 315 C LYS B 1 -8.774 -1.162 -16.694 1.00 0.00 C ATOM 316 O LYS B 1 -8.199 -0.653 -17.656 1.00 0.00 O ATOM 317 CB LYS B 1 -10.032 -2.800 -18.091 1.00 0.00 C ATOM 318 CG LYS B 1 -10.360 -4.285 -18.254 1.00 0.00 C ATOM 319 CD LYS B 1 -11.097 -4.501 -19.576 1.00 0.00 C ATOM 320 CE LYS B 1 -11.426 -5.985 -19.739 1.00 0.00 C ATOM 321 NZ LYS B 1 -12.161 -6.194 -21.019 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.288 -3.874 -15.500 1.00 0.00 H new ATOM 0 HA LYS B 1 -8.468 -3.279 -16.701 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -10.947 -2.209 -18.118 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -9.409 -2.461 -18.919 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -9.444 -4.875 -18.235 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -10.976 -4.626 -17.422 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -12.013 -3.910 -19.595 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -10.481 -4.161 -20.408 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -10.509 -6.574 -19.733 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.031 -6.329 -18.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -12.385 -7.204 -21.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -13.043 -5.643 -21.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -11.569 -5.881 -21.815 1.00 0.00 H new ATOM 335 N ASN B 2 -8.988 -0.518 -15.556 1.00 0.00 N ATOM 336 CA ASN B 2 -8.544 0.861 -15.378 1.00 0.00 C ATOM 337 C ASN B 2 -7.024 0.976 -15.539 1.00 0.00 C ATOM 338 O ASN B 2 -6.289 0.029 -15.259 1.00 0.00 O ATOM 339 CB ASN B 2 -8.951 1.360 -13.985 1.00 0.00 C ATOM 340 CG ASN B 2 -8.499 0.368 -12.923 1.00 0.00 C ATOM 341 OD1 ASN B 2 -8.327 -0.815 -13.211 1.00 0.00 O ATOM 342 ND2 ASN B 2 -8.290 0.783 -11.702 1.00 0.00 N ATOM 0 H ASN B 2 -9.462 -0.921 -14.748 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.019 1.474 -16.144 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -8.505 2.336 -13.795 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -10.032 1.488 -13.937 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -7.983 0.125 -10.985 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -8.433 1.765 -11.465 1.00 0.00 H new ATOM 349 N PRO B 3 -6.541 2.116 -15.984 1.00 0.00 N ATOM 350 CA PRO B 3 -5.074 2.349 -16.178 1.00 0.00 C ATOM 351 C PRO B 3 -4.306 2.297 -14.853 1.00 0.00 C ATOM 352 O PRO B 3 -3.088 2.116 -14.834 1.00 0.00 O ATOM 353 CB PRO B 3 -5.010 3.750 -16.823 1.00 0.00 C ATOM 354 CG PRO B 3 -6.289 4.417 -16.434 1.00 0.00 C ATOM 355 CD PRO B 3 -7.331 3.307 -16.364 1.00 0.00 C ATOM 0 HA PRO B 3 -4.607 1.581 -16.794 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -4.148 4.311 -16.463 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.915 3.681 -17.907 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.190 4.922 -15.473 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.573 5.175 -17.164 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.104 3.528 -15.628 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -7.833 3.167 -17.321 1.00 0.00 H new ATOM 363 N GLU B 4 -5.032 2.452 -13.755 1.00 0.00 N ATOM 364 CA GLU B 4 -4.424 2.420 -12.430 1.00 0.00 C ATOM 365 C GLU B 4 -3.846 1.038 -12.139 1.00 0.00 C ATOM 366 O GLU B 4 -3.102 0.851 -11.171 1.00 0.00 O ATOM 367 CB GLU B 4 -5.454 2.791 -11.363 1.00 0.00 C ATOM 368 CG GLU B 4 -5.838 4.265 -11.517 1.00 0.00 C ATOM 369 CD GLU B 4 -6.919 4.628 -10.507 1.00 0.00 C ATOM 370 OE1 GLU B 4 -7.311 5.783 -10.477 1.00 0.00 O ATOM 371 OE2 GLU B 4 -7.336 3.747 -9.774 1.00 0.00 O ATOM 0 H GLU B 4 -6.041 2.601 -13.754 1.00 0.00 H new ATOM 0 HA GLU B 4 -3.614 3.149 -12.407 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.338 2.161 -11.461 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.044 2.613 -10.369 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -4.962 4.896 -11.367 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -6.196 4.453 -12.529 1.00 0.00 H new ATOM 378 N ALA B 5 -4.199 0.071 -12.976 1.00 0.00 N ATOM 379 CA ALA B 5 -3.723 -1.293 -12.796 1.00 0.00 C ATOM 380 C ALA B 5 -2.197 -1.319 -12.798 1.00 0.00 C ATOM 381 O ALA B 5 -1.584 -2.142 -12.116 1.00 0.00 O ATOM 382 CB ALA B 5 -4.255 -2.183 -13.926 1.00 0.00 C ATOM 0 H ALA B 5 -4.810 0.205 -13.782 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.085 -1.670 -11.839 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -3.896 -3.202 -13.786 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -5.345 -2.177 -13.911 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -3.903 -1.803 -14.885 1.00 0.00 H new ATOM 388 N GLU B 6 -1.585 -0.413 -13.551 1.00 0.00 N ATOM 389 CA GLU B 6 -0.132 -0.349 -13.607 1.00 0.00 C ATOM 390 C GLU B 6 0.433 -0.042 -12.223 1.00 0.00 C ATOM 391 O GLU B 6 1.445 -0.611 -11.813 1.00 0.00 O ATOM 392 CB GLU B 6 0.298 0.744 -14.592 1.00 0.00 C ATOM 393 CG GLU B 6 -0.006 0.306 -16.030 1.00 0.00 C ATOM 394 CD GLU B 6 -1.489 0.481 -16.334 1.00 0.00 C ATOM 395 OE1 GLU B 6 -1.859 1.557 -16.776 1.00 0.00 O ATOM 396 OE2 GLU B 6 -2.234 -0.459 -16.114 1.00 0.00 O ATOM 0 H GLU B 6 -2.066 0.279 -14.125 1.00 0.00 H new ATOM 0 HA GLU B 6 0.253 -1.312 -13.942 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -0.226 1.673 -14.368 1.00 0.00 H new ATOM 0 HB3 GLU B 6 1.364 0.945 -14.482 1.00 0.00 H new ATOM 0 HG2 GLU B 6 0.587 0.894 -16.730 1.00 0.00 H new ATOM 0 HG3 GLU B 6 0.280 -0.737 -16.168 1.00 0.00 H new ATOM 403 N GLU B 7 -0.236 0.845 -11.500 1.00 0.00 N ATOM 404 CA GLU B 7 0.204 1.200 -10.157 1.00 0.00 C ATOM 405 C GLU B 7 0.107 -0.012 -9.240 1.00 0.00 C ATOM 406 O GLU B 7 0.959 -0.224 -8.378 1.00 0.00 O ATOM 407 CB GLU B 7 -0.646 2.353 -9.602 1.00 0.00 C ATOM 408 CG GLU B 7 -0.187 2.716 -8.180 1.00 0.00 C ATOM 409 CD GLU B 7 1.263 3.192 -8.195 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.721 3.610 -9.246 1.00 0.00 O ATOM 411 OE2 GLU B 7 1.898 3.123 -7.157 1.00 0.00 O ATOM 0 H GLU B 7 -1.077 1.328 -11.816 1.00 0.00 H new ATOM 0 HA GLU B 7 1.243 1.527 -10.204 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.560 3.223 -10.253 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -1.697 2.066 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.829 3.497 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.285 1.849 -7.527 1.00 0.00 H new ATOM 418 N ILE B 8 -0.950 -0.792 -9.420 1.00 0.00 N ATOM 419 CA ILE B 8 -1.162 -1.968 -8.581 1.00 0.00 C ATOM 420 C ILE B 8 -0.013 -2.952 -8.789 1.00 0.00 C ATOM 421 O ILE B 8 0.488 -3.544 -7.831 1.00 0.00 O ATOM 422 CB ILE B 8 -2.492 -2.644 -8.941 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.623 -1.597 -8.875 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.791 -3.815 -7.962 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.647 -0.895 -7.513 1.00 0.00 C ATOM 0 H ILE B 8 -1.667 -0.637 -10.129 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.196 -1.659 -7.536 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.427 -3.051 -9.950 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -3.486 -0.859 -9.665 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -4.583 -2.082 -9.054 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.738 -4.283 -8.232 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.991 -4.553 -8.023 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.854 -3.431 -6.944 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.454 -0.163 -7.495 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -3.809 -1.632 -6.727 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -2.695 -0.390 -7.347 1.00 0.00 H new ATOM 437 N THR B 9 0.396 -3.127 -10.040 1.00 0.00 N ATOM 438 CA THR B 9 1.486 -4.043 -10.349 1.00 0.00 C ATOM 439 C THR B 9 2.757 -3.597 -9.637 1.00 0.00 C ATOM 440 O THR B 9 3.480 -4.414 -9.064 1.00 0.00 O ATOM 441 CB THR B 9 1.725 -4.077 -11.860 1.00 0.00 C ATOM 442 OG1 THR B 9 0.566 -4.579 -12.512 1.00 0.00 O ATOM 443 CG2 THR B 9 2.925 -4.974 -12.172 1.00 0.00 C ATOM 0 H THR B 9 -0.006 -2.652 -10.849 1.00 0.00 H new ATOM 0 HA THR B 9 1.217 -5.042 -10.007 1.00 0.00 H new ATOM 0 HB THR B 9 1.931 -3.068 -12.217 1.00 0.00 H new ATOM 0 HG1 THR B 9 -0.155 -3.918 -12.452 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.093 -4.996 -13.249 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.812 -4.581 -11.675 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.726 -5.985 -11.815 1.00 0.00 H new ATOM 451 N ARG B 10 3.018 -2.297 -9.660 1.00 0.00 N ATOM 452 CA ARG B 10 4.194 -1.757 -8.993 1.00 0.00 C ATOM 453 C ARG B 10 4.109 -1.993 -7.490 1.00 0.00 C ATOM 454 O ARG B 10 5.107 -2.303 -6.844 1.00 0.00 O ATOM 455 CB ARG B 10 4.333 -0.258 -9.278 1.00 0.00 C ATOM 456 CG ARG B 10 4.743 -0.047 -10.738 1.00 0.00 C ATOM 457 CD ARG B 10 5.096 1.425 -10.960 1.00 0.00 C ATOM 458 NE ARG B 10 3.904 2.256 -10.826 1.00 0.00 N ATOM 459 CZ ARG B 10 3.097 2.467 -11.868 1.00 0.00 C ATOM 460 NH1 ARG B 10 2.041 3.222 -11.742 1.00 0.00 N ATOM 461 NH2 ARG B 10 3.367 1.920 -13.023 1.00 0.00 N ATOM 0 H ARG B 10 2.437 -1.602 -10.129 1.00 0.00 H new ATOM 0 HA ARG B 10 5.073 -2.272 -9.382 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.389 0.249 -9.078 1.00 0.00 H new ATOM 0 HB3 ARG B 10 5.078 0.181 -8.614 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.598 -0.678 -10.982 1.00 0.00 H new ATOM 0 HG3 ARG B 10 3.930 -0.341 -11.402 1.00 0.00 H new ATOM 0 HD2 ARG B 10 5.850 1.739 -10.238 1.00 0.00 H new ATOM 0 HD3 ARG B 10 5.530 1.557 -11.951 1.00 0.00 H new ATOM 0 HE ARG B 10 3.685 2.681 -9.925 1.00 0.00 H new ATOM 0 HH11 ARG B 10 1.828 3.655 -10.843 1.00 0.00 H new ATOM 0 HH12 ARG B 10 1.428 3.379 -12.542 1.00 0.00 H new ATOM 0 HH21 ARG B 10 4.194 1.332 -13.128 1.00 0.00 H new ATOM 0 HH22 ARG B 10 2.751 2.081 -13.820 1.00 0.00 H new ATOM 475 N CYS B 11 2.910 -1.851 -6.938 1.00 0.00 N ATOM 476 CA CYS B 11 2.718 -2.055 -5.510 1.00 0.00 C ATOM 477 C CYS B 11 3.242 -3.425 -5.095 1.00 0.00 C ATOM 478 O CYS B 11 3.993 -3.544 -4.127 1.00 0.00 O ATOM 479 CB CYS B 11 1.231 -1.953 -5.179 1.00 0.00 C ATOM 480 SG CYS B 11 1.018 -1.853 -3.383 1.00 0.00 S ATOM 0 H CYS B 11 2.066 -1.598 -7.452 1.00 0.00 H new ATOM 0 HA CYS B 11 3.270 -1.289 -4.965 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.801 -1.073 -5.657 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.700 -2.820 -5.571 1.00 0.00 H new ATOM 0 HG CYS B 11 -0.248 -1.764 -3.100 1.00 0.00 H new ATOM 485 N LYS B 12 2.857 -4.454 -5.838 1.00 0.00 N ATOM 486 CA LYS B 12 3.315 -5.805 -5.540 1.00 0.00 C ATOM 487 C LYS B 12 4.827 -5.908 -5.709 1.00 0.00 C ATOM 488 O LYS B 12 5.517 -6.530 -4.900 1.00 0.00 O ATOM 489 CB LYS B 12 2.626 -6.799 -6.472 1.00 0.00 C ATOM 490 CG LYS B 12 1.145 -6.908 -6.093 1.00 0.00 C ATOM 491 CD LYS B 12 0.445 -7.957 -6.971 1.00 0.00 C ATOM 492 CE LYS B 12 0.244 -7.417 -8.394 1.00 0.00 C ATOM 493 NZ LYS B 12 -0.643 -8.341 -9.151 1.00 0.00 N ATOM 0 H LYS B 12 2.235 -4.381 -6.643 1.00 0.00 H new ATOM 0 HA LYS B 12 3.062 -6.038 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS B 12 2.725 -6.473 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.105 -7.776 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS B 12 1.051 -7.182 -5.042 1.00 0.00 H new ATOM 0 HG3 LYS B 12 0.659 -5.940 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.040 -8.870 -7.002 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -0.519 -8.220 -6.536 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -0.196 -6.420 -8.358 1.00 0.00 H new ATOM 0 HE3 LYS B 12 1.206 -7.323 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -0.781 -7.977 -10.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -0.206 -9.283 -9.195 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -1.564 -8.409 -8.672 1.00 0.00 H new ATOM 507 N LYS B 13 5.334 -5.293 -6.771 1.00 0.00 N ATOM 508 CA LYS B 13 6.767 -5.309 -7.048 1.00 0.00 C ATOM 509 C LYS B 13 7.538 -4.579 -5.953 1.00 0.00 C ATOM 510 O LYS B 13 8.622 -4.999 -5.553 1.00 0.00 O ATOM 511 CB LYS B 13 7.055 -4.675 -8.410 1.00 0.00 C ATOM 512 CG LYS B 13 8.545 -4.821 -8.731 1.00 0.00 C ATOM 513 CD LYS B 13 8.819 -4.280 -10.135 1.00 0.00 C ATOM 514 CE LYS B 13 10.299 -4.460 -10.473 1.00 0.00 C ATOM 515 NZ LYS B 13 11.126 -3.656 -9.530 1.00 0.00 N ATOM 0 H LYS B 13 4.777 -4.778 -7.453 1.00 0.00 H new ATOM 0 HA LYS B 13 7.098 -6.347 -7.068 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.456 -5.157 -9.182 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.775 -3.622 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS B 13 9.141 -4.278 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS B 13 8.840 -5.868 -8.669 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.202 -4.805 -10.865 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.549 -3.225 -10.189 1.00 0.00 H new ATOM 0 HE2 LYS B 13 10.573 -5.513 -10.406 1.00 0.00 H new ATOM 0 HE3 LYS B 13 10.489 -4.146 -11.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 12.073 -3.513 -9.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 10.674 -2.733 -9.372 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 11.209 -4.160 -8.624 1.00 0.00 H new ATOM 529 N LEU B 14 6.970 -3.477 -5.476 1.00 0.00 N ATOM 530 CA LEU B 14 7.610 -2.685 -4.432 1.00 0.00 C ATOM 531 C LEU B 14 7.774 -3.508 -3.159 1.00 0.00 C ATOM 532 O LEU B 14 8.818 -3.463 -2.512 1.00 0.00 O ATOM 533 CB LEU B 14 6.742 -1.450 -4.146 1.00 0.00 C ATOM 534 CG LEU B 14 6.864 -0.428 -5.299 1.00 0.00 C ATOM 535 CD1 LEU B 14 5.644 0.515 -5.308 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.129 0.425 -5.115 1.00 0.00 C ATOM 0 H LEU B 14 6.072 -3.113 -5.794 1.00 0.00 H new ATOM 0 HA LEU B 14 8.600 -2.377 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.701 -1.749 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.052 -0.989 -3.208 1.00 0.00 H new ATOM 0 HG LEU B 14 6.915 -0.980 -6.238 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.743 1.230 -6.125 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.734 -0.069 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.592 1.052 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.206 1.142 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.072 0.960 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.007 -0.221 -5.115 1.00 0.00 H new ATOM 548 N LEU B 15 6.748 -4.270 -2.819 1.00 0.00 N ATOM 549 CA LEU B 15 6.802 -5.112 -1.634 1.00 0.00 C ATOM 550 C LEU B 15 7.872 -6.188 -1.795 1.00 0.00 C ATOM 551 O LEU B 15 8.588 -6.515 -0.853 1.00 0.00 O ATOM 552 CB LEU B 15 5.441 -5.757 -1.387 1.00 0.00 C ATOM 553 CG LEU B 15 4.430 -4.677 -0.965 1.00 0.00 C ATOM 554 CD1 LEU B 15 3.026 -5.283 -0.940 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.782 -4.110 0.431 1.00 0.00 C ATOM 0 H LEU B 15 5.874 -4.324 -3.341 1.00 0.00 H new ATOM 0 HA LEU B 15 7.060 -4.491 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.096 -6.260 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.523 -6.517 -0.610 1.00 0.00 H new ATOM 0 HG LEU B 15 4.467 -3.859 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.306 -4.521 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.772 -5.653 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.998 -6.107 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.054 -3.348 0.708 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.763 -4.915 1.166 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.778 -3.667 0.403 1.00 0.00 H new ATOM 567 N ASP B 16 7.972 -6.731 -3.001 1.00 0.00 N ATOM 568 CA ASP B 16 8.953 -7.776 -3.282 1.00 0.00 C ATOM 569 C ASP B 16 10.371 -7.251 -3.077 1.00 0.00 C ATOM 570 O ASP B 16 11.250 -7.970 -2.600 1.00 0.00 O ATOM 571 CB ASP B 16 8.790 -8.271 -4.720 1.00 0.00 C ATOM 572 CG ASP B 16 7.514 -9.096 -4.846 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.966 -9.466 -3.820 1.00 0.00 O ATOM 574 OD2 ASP B 16 7.100 -9.345 -5.967 1.00 0.00 O ATOM 0 H ASP B 16 7.391 -6.469 -3.797 1.00 0.00 H new ATOM 0 HA ASP B 16 8.783 -8.603 -2.593 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.753 -7.423 -5.403 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.652 -8.874 -5.006 1.00 0.00 H new ATOM 579 N ASP B 17 10.584 -5.994 -3.437 1.00 0.00 N ATOM 580 CA ASP B 17 11.897 -5.374 -3.291 1.00 0.00 C ATOM 581 C ASP B 17 12.278 -5.266 -1.819 1.00 0.00 C ATOM 582 O ASP B 17 13.417 -4.947 -1.486 1.00 0.00 O ATOM 583 CB ASP B 17 11.902 -3.981 -3.925 1.00 0.00 C ATOM 584 CG ASP B 17 11.854 -4.102 -5.444 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.617 -3.096 -6.092 1.00 0.00 O ATOM 586 OD2 ASP B 17 12.053 -5.199 -5.939 1.00 0.00 O ATOM 0 H ASP B 17 9.869 -5.383 -3.831 1.00 0.00 H new ATOM 0 HA ASP B 17 12.627 -6.002 -3.801 1.00 0.00 H new ATOM 0 HB2 ASP B 17 11.046 -3.407 -3.570 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.797 -3.438 -3.623 1.00 0.00 H new ATOM 591 N SER B 18 11.318 -5.525 -0.941 1.00 0.00 N ATOM 592 CA SER B 18 11.568 -5.440 0.492 1.00 0.00 C ATOM 593 C SER B 18 12.670 -6.398 0.910 1.00 0.00 C ATOM 594 O SER B 18 13.306 -6.216 1.949 1.00 0.00 O ATOM 595 CB SER B 18 10.295 -5.781 1.259 1.00 0.00 C ATOM 596 OG SER B 18 9.926 -7.125 0.980 1.00 0.00 O ATOM 0 H SER B 18 10.367 -5.794 -1.193 1.00 0.00 H new ATOM 0 HA SER B 18 11.881 -4.421 0.721 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.455 -5.650 2.329 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.491 -5.104 0.972 1.00 0.00 H new ATOM 0 HG SER B 18 9.156 -7.134 0.374 1.00 0.00 H new ATOM 602 N SER B 19 12.890 -7.414 0.100 1.00 0.00 N ATOM 603 CA SER B 19 13.924 -8.406 0.396 1.00 0.00 C ATOM 604 C SER B 19 15.297 -7.895 -0.016 1.00 0.00 C ATOM 605 O SER B 19 16.325 -8.408 0.427 1.00 0.00 O ATOM 606 CB SER B 19 13.623 -9.714 -0.336 1.00 0.00 C ATOM 607 OG SER B 19 12.401 -10.253 0.147 1.00 0.00 O ATOM 0 H SER B 19 12.375 -7.581 -0.764 1.00 0.00 H new ATOM 0 HA SER B 19 13.926 -8.585 1.471 1.00 0.00 H new ATOM 0 HB2 SER B 19 13.556 -9.536 -1.409 1.00 0.00 H new ATOM 0 HB3 SER B 19 14.434 -10.426 -0.181 1.00 0.00 H new ATOM 0 HG SER B 19 12.205 -11.091 -0.322 1.00 0.00 H new ATOM 613 N SER B 20 15.298 -6.874 -0.854 1.00 0.00 N ATOM 614 CA SER B 20 16.544 -6.270 -1.322 1.00 0.00 C ATOM 615 C SER B 20 17.089 -5.288 -0.288 1.00 0.00 C ATOM 616 O SER B 20 16.329 -4.673 0.460 1.00 0.00 O ATOM 617 CB SER B 20 16.321 -5.549 -2.652 1.00 0.00 C ATOM 618 OG SER B 20 15.797 -6.469 -3.602 1.00 0.00 O ATOM 0 H SER B 20 14.453 -6.442 -1.227 1.00 0.00 H new ATOM 0 HA SER B 20 17.273 -7.067 -1.467 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.631 -4.716 -2.516 1.00 0.00 H new ATOM 0 HB3 SER B 20 17.260 -5.130 -3.014 1.00 0.00 H new ATOM 0 HG SER B 20 15.651 -6.010 -4.456 1.00 0.00 H new ATOM 625 N LYS C 1 18.407 -5.139 -0.260 1.00 0.00 N ATOM 626 CA LYS C 1 19.050 -4.221 0.676 1.00 0.00 C ATOM 627 C LYS C 1 18.864 -2.782 0.221 1.00 0.00 C ATOM 628 O LYS C 1 19.523 -1.870 0.720 1.00 0.00 O ATOM 629 CB LYS C 1 20.541 -4.538 0.792 1.00 0.00 C ATOM 630 CG LYS C 1 20.717 -5.898 1.467 1.00 0.00 C ATOM 631 CD LYS C 1 22.207 -6.228 1.568 1.00 0.00 C ATOM 632 CE LYS C 1 22.384 -7.589 2.243 1.00 0.00 C ATOM 633 NZ LYS C 1 23.834 -7.921 2.317 1.00 0.00 N ATOM 0 H3 LYS C 1 18.241 -6.053 0.208 1.00 0.00 H new ATOM 0 HA LYS C 1 18.583 -4.346 1.653 1.00 0.00 H new ATOM 0 HB2 LYS C 1 21.001 -4.547 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS C 1 21.045 -3.764 1.371 1.00 0.00 H new ATOM 0 HG2 LYS C 1 20.269 -5.884 2.460 1.00 0.00 H new ATOM 0 HG3 LYS C 1 20.201 -6.669 0.895 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.655 -6.242 0.575 1.00 0.00 H new ATOM 0 HD3 LYS C 1 22.723 -5.457 2.140 1.00 0.00 H new ATOM 0 HE2 LYS C 1 21.953 -7.569 3.244 1.00 0.00 H new ATOM 0 HE3 LYS C 1 21.852 -8.357 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 23.955 -8.846 2.776 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 24.232 -7.956 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 24.329 -7.193 2.870 1.00 0.00 H new ATOM 647 N ASN C 2 17.976 -2.589 -0.744 1.00 0.00 N ATOM 648 CA ASN C 2 17.726 -1.253 -1.277 1.00 0.00 C ATOM 649 C ASN C 2 17.229 -0.304 -0.180 1.00 0.00 C ATOM 650 O ASN C 2 16.594 -0.735 0.782 1.00 0.00 O ATOM 651 CB ASN C 2 16.681 -1.332 -2.400 1.00 0.00 C ATOM 652 CG ASN C 2 15.453 -2.091 -1.917 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.547 -2.905 -1.001 1.00 0.00 O ATOM 654 ND2 ASN C 2 14.297 -1.867 -2.481 1.00 0.00 N ATOM 0 H ASN C 2 17.421 -3.330 -1.172 1.00 0.00 H new ATOM 0 HA ASN C 2 18.664 -0.862 -1.670 1.00 0.00 H new ATOM 0 HB2 ASN C 2 16.397 -0.328 -2.715 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.108 -1.831 -3.270 1.00 0.00 H new ATOM 0 HD21 ASN C 2 13.468 -2.368 -2.162 1.00 0.00 H new ATOM 0 HD22 ASN C 2 14.223 -1.191 -3.241 1.00 0.00 H new ATOM 661 N PRO C 3 17.507 0.976 -0.308 1.00 0.00 N ATOM 662 CA PRO C 3 17.071 1.999 0.696 1.00 0.00 C ATOM 663 C PRO C 3 15.545 2.121 0.766 1.00 0.00 C ATOM 664 O PRO C 3 14.995 2.623 1.745 1.00 0.00 O ATOM 665 CB PRO C 3 17.728 3.303 0.197 1.00 0.00 C ATOM 666 CG PRO C 3 17.980 3.082 -1.261 1.00 0.00 C ATOM 667 CD PRO C 3 18.275 1.595 -1.410 1.00 0.00 C ATOM 0 HA PRO C 3 17.370 1.740 1.712 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.074 4.160 0.358 1.00 0.00 H new ATOM 0 HB3 PRO C 3 18.656 3.506 0.731 1.00 0.00 H new ATOM 0 HG2 PRO C 3 17.113 3.370 -1.856 1.00 0.00 H new ATOM 0 HG3 PRO C 3 18.820 3.684 -1.608 1.00 0.00 H new ATOM 0 HD2 PRO C 3 17.956 1.218 -2.382 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.341 1.387 -1.322 1.00 0.00 H new ATOM 675 N GLU C 4 14.877 1.650 -0.276 1.00 0.00 N ATOM 676 CA GLU C 4 13.421 1.702 -0.332 1.00 0.00 C ATOM 677 C GLU C 4 12.811 0.830 0.762 1.00 0.00 C ATOM 678 O GLU C 4 11.608 0.893 1.029 1.00 0.00 O ATOM 679 CB GLU C 4 12.923 1.242 -1.702 1.00 0.00 C ATOM 680 CG GLU C 4 13.336 2.267 -2.762 1.00 0.00 C ATOM 681 CD GLU C 4 12.899 1.789 -4.143 1.00 0.00 C ATOM 682 OE1 GLU C 4 13.131 2.511 -5.098 1.00 0.00 O ATOM 683 OE2 GLU C 4 12.335 0.711 -4.222 1.00 0.00 O ATOM 0 H GLU C 4 15.317 1.228 -1.094 1.00 0.00 H new ATOM 0 HA GLU C 4 13.110 2.734 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.340 0.264 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU C 4 11.839 1.132 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU C 4 12.883 3.234 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU C 4 14.416 2.409 -2.742 1.00 0.00 H new ATOM 690 N ALA C 5 13.647 0.010 1.387 1.00 0.00 N ATOM 691 CA ALA C 5 13.185 -0.883 2.440 1.00 0.00 C ATOM 692 C ALA C 5 12.528 -0.079 3.560 1.00 0.00 C ATOM 693 O ALA C 5 11.591 -0.552 4.203 1.00 0.00 O ATOM 694 CB ALA C 5 14.367 -1.680 3.004 1.00 0.00 C ATOM 0 H ALA C 5 14.644 -0.055 1.183 1.00 0.00 H new ATOM 0 HA ALA C 5 12.453 -1.573 2.020 1.00 0.00 H new ATOM 0 HB1 ALA C 5 14.014 -2.346 3.791 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.822 -2.269 2.207 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.106 -0.993 3.415 1.00 0.00 H new ATOM 700 N GLU C 6 13.011 1.138 3.783 1.00 0.00 N ATOM 701 CA GLU C 6 12.443 1.985 4.820 1.00 0.00 C ATOM 702 C GLU C 6 10.976 2.279 4.513 1.00 0.00 C ATOM 703 O GLU C 6 10.132 2.286 5.411 1.00 0.00 O ATOM 704 CB GLU C 6 13.226 3.302 4.896 1.00 0.00 C ATOM 705 CG GLU C 6 14.619 3.046 5.486 1.00 0.00 C ATOM 706 CD GLU C 6 15.531 2.427 4.435 1.00 0.00 C ATOM 707 OE1 GLU C 6 16.167 3.178 3.714 1.00 0.00 O ATOM 708 OE2 GLU C 6 15.575 1.209 4.360 1.00 0.00 O ATOM 0 H GLU C 6 13.785 1.555 3.266 1.00 0.00 H new ATOM 0 HA GLU C 6 12.509 1.466 5.776 1.00 0.00 H new ATOM 0 HB2 GLU C 6 13.317 3.739 3.902 1.00 0.00 H new ATOM 0 HB3 GLU C 6 12.687 4.021 5.512 1.00 0.00 H new ATOM 0 HG2 GLU C 6 15.048 3.982 5.844 1.00 0.00 H new ATOM 0 HG3 GLU C 6 14.541 2.382 6.347 1.00 0.00 H new ATOM 715 N GLU C 7 10.675 2.502 3.242 1.00 0.00 N ATOM 716 CA GLU C 7 9.303 2.774 2.836 1.00 0.00 C ATOM 717 C GLU C 7 8.430 1.556 3.097 1.00 0.00 C ATOM 718 O GLU C 7 7.273 1.678 3.500 1.00 0.00 O ATOM 719 CB GLU C 7 9.250 3.152 1.348 1.00 0.00 C ATOM 720 CG GLU C 7 7.801 3.433 0.921 1.00 0.00 C ATOM 721 CD GLU C 7 7.235 4.616 1.701 1.00 0.00 C ATOM 722 OE1 GLU C 7 8.020 5.400 2.205 1.00 0.00 O ATOM 723 OE2 GLU C 7 6.023 4.718 1.788 1.00 0.00 O ATOM 0 H GLU C 7 11.354 2.500 2.481 1.00 0.00 H new ATOM 0 HA GLU C 7 8.926 3.612 3.422 1.00 0.00 H new ATOM 0 HB2 GLU C 7 9.867 4.032 1.167 1.00 0.00 H new ATOM 0 HB3 GLU C 7 9.664 2.343 0.745 1.00 0.00 H new ATOM 0 HG2 GLU C 7 7.765 3.644 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU C 7 7.187 2.549 1.093 1.00 0.00 H new ATOM 730 N ILE C 8 8.985 0.379 2.844 1.00 0.00 N ATOM 731 CA ILE C 8 8.235 -0.859 3.033 1.00 0.00 C ATOM 732 C ILE C 8 7.859 -1.004 4.505 1.00 0.00 C ATOM 733 O ILE C 8 6.737 -1.398 4.832 1.00 0.00 O ATOM 734 CB ILE C 8 9.078 -2.064 2.597 1.00 0.00 C ATOM 735 CG1 ILE C 8 9.580 -1.833 1.155 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.240 -3.371 2.664 1.00 0.00 C ATOM 737 CD1 ILE C 8 8.416 -1.527 0.207 1.00 0.00 C ATOM 0 H ILE C 8 9.941 0.253 2.511 1.00 0.00 H new ATOM 0 HA ILE C 8 7.332 -0.823 2.424 1.00 0.00 H new ATOM 0 HB ILE C 8 9.928 -2.169 3.272 1.00 0.00 H new ATOM 0 HG12 ILE C 8 10.290 -1.006 1.142 1.00 0.00 H new ATOM 0 HG13 ILE C 8 10.114 -2.717 0.807 1.00 0.00 H new ATOM 0 HG21 ILE C 8 8.856 -4.214 2.351 1.00 0.00 H new ATOM 0 HG22 ILE C 8 7.897 -3.532 3.686 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.378 -3.285 2.002 1.00 0.00 H new ATOM 0 HD11 ILE C 8 8.800 -1.369 -0.801 1.00 0.00 H new ATOM 0 HD12 ILE C 8 7.720 -2.366 0.203 1.00 0.00 H new ATOM 0 HD13 ILE C 8 7.899 -0.628 0.544 1.00 0.00 H new ATOM 749 N THR C 9 8.798 -0.687 5.389 1.00 0.00 N ATOM 750 CA THR C 9 8.543 -0.788 6.818 1.00 0.00 C ATOM 751 C THR C 9 7.392 0.132 7.207 1.00 0.00 C ATOM 752 O THR C 9 6.507 -0.253 7.974 1.00 0.00 O ATOM 753 CB THR C 9 9.802 -0.400 7.600 1.00 0.00 C ATOM 754 OG1 THR C 9 10.847 -1.316 7.297 1.00 0.00 O ATOM 755 CG2 THR C 9 9.506 -0.431 9.099 1.00 0.00 C ATOM 0 H THR C 9 9.733 -0.361 5.144 1.00 0.00 H new ATOM 0 HA THR C 9 8.275 -1.817 7.058 1.00 0.00 H new ATOM 0 HB THR C 9 10.110 0.607 7.318 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.161 -1.163 6.381 1.00 0.00 H new ATOM 0 HG21 THR C 9 10.403 -0.155 9.653 1.00 0.00 H new ATOM 0 HG22 THR C 9 8.707 0.275 9.327 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.196 -1.435 9.388 1.00 0.00 H new ATOM 763 N ARG C 10 7.397 1.342 6.662 1.00 0.00 N ATOM 764 CA ARG C 10 6.335 2.296 6.950 1.00 0.00 C ATOM 765 C ARG C 10 4.999 1.770 6.435 1.00 0.00 C ATOM 766 O ARG C 10 3.967 1.935 7.084 1.00 0.00 O ATOM 767 CB ARG C 10 6.642 3.652 6.305 1.00 0.00 C ATOM 768 CG ARG C 10 7.799 4.324 7.050 1.00 0.00 C ATOM 769 CD ARG C 10 7.958 5.761 6.555 1.00 0.00 C ATOM 770 NE ARG C 10 8.406 5.773 5.167 1.00 0.00 N ATOM 771 CZ ARG C 10 9.705 5.706 4.867 1.00 0.00 C ATOM 772 NH1 ARG C 10 10.098 5.729 3.624 1.00 0.00 N ATOM 773 NH2 ARG C 10 10.590 5.620 5.824 1.00 0.00 N ATOM 0 H ARG C 10 8.117 1.683 6.025 1.00 0.00 H new ATOM 0 HA ARG C 10 6.274 2.426 8.031 1.00 0.00 H new ATOM 0 HB2 ARG C 10 6.902 3.516 5.255 1.00 0.00 H new ATOM 0 HB3 ARG C 10 5.758 4.289 6.335 1.00 0.00 H new ATOM 0 HG2 ARG C 10 7.608 4.317 8.123 1.00 0.00 H new ATOM 0 HG3 ARG C 10 8.722 3.768 6.887 1.00 0.00 H new ATOM 0 HD2 ARG C 10 7.009 6.290 6.642 1.00 0.00 H new ATOM 0 HD3 ARG C 10 8.677 6.291 7.181 1.00 0.00 H new ATOM 0 HE ARG C 10 7.718 5.833 4.416 1.00 0.00 H new ATOM 0 HH11 ARG C 10 9.411 5.799 2.873 1.00 0.00 H new ATOM 0 HH12 ARG C 10 11.092 5.677 3.402 1.00 0.00 H new ATOM 0 HH21 ARG C 10 10.288 5.604 6.798 1.00 0.00 H new ATOM 0 HH22 ARG C 10 11.583 5.569 5.597 1.00 0.00 H new ATOM 787 N CYS C 11 5.024 1.132 5.273 1.00 0.00 N ATOM 788 CA CYS C 11 3.805 0.588 4.692 1.00 0.00 C ATOM 789 C CYS C 11 3.106 -0.326 5.694 1.00 0.00 C ATOM 790 O CYS C 11 1.903 -0.200 5.924 1.00 0.00 O ATOM 791 CB CYS C 11 4.151 -0.201 3.429 1.00 0.00 C ATOM 792 SG CYS C 11 2.633 -0.565 2.509 1.00 0.00 S ATOM 0 H CYS C 11 5.866 0.979 4.719 1.00 0.00 H new ATOM 0 HA CYS C 11 3.135 1.409 4.438 1.00 0.00 H new ATOM 0 HB2 CYS C 11 4.838 0.372 2.806 1.00 0.00 H new ATOM 0 HB3 CYS C 11 4.659 -1.128 3.694 1.00 0.00 H new ATOM 0 HG CYS C 11 2.927 -1.234 1.434 1.00 0.00 H new ATOM 797 N LYS C 12 3.864 -1.231 6.297 1.00 0.00 N ATOM 798 CA LYS C 12 3.298 -2.140 7.285 1.00 0.00 C ATOM 799 C LYS C 12 2.798 -1.371 8.504 1.00 0.00 C ATOM 800 O LYS C 12 1.725 -1.657 9.038 1.00 0.00 O ATOM 801 CB LYS C 12 4.359 -3.148 7.720 1.00 0.00 C ATOM 802 CG LYS C 12 4.643 -4.115 6.566 1.00 0.00 C ATOM 803 CD LYS C 12 5.656 -5.184 7.002 1.00 0.00 C ATOM 804 CE LYS C 12 7.062 -4.580 7.099 1.00 0.00 C ATOM 805 NZ LYS C 12 8.055 -5.673 7.295 1.00 0.00 N ATOM 0 H LYS C 12 4.861 -1.355 6.123 1.00 0.00 H new ATOM 0 HA LYS C 12 2.455 -2.662 6.832 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.273 -2.629 8.008 1.00 0.00 H new ATOM 0 HB3 LYS C 12 4.016 -3.699 8.595 1.00 0.00 H new ATOM 0 HG2 LYS C 12 3.716 -4.592 6.246 1.00 0.00 H new ATOM 0 HG3 LYS C 12 5.031 -3.565 5.709 1.00 0.00 H new ATOM 0 HD2 LYS C 12 5.364 -5.599 7.967 1.00 0.00 H new ATOM 0 HD3 LYS C 12 5.655 -6.007 6.288 1.00 0.00 H new ATOM 0 HE2 LYS C 12 7.293 -4.021 6.192 1.00 0.00 H new ATOM 0 HE3 LYS C 12 7.111 -3.875 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 9.010 -5.267 7.361 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 7.836 -6.188 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 8.013 -6.329 6.489 1.00 0.00 H new ATOM 819 N LYS C 13 3.584 -0.391 8.937 1.00 0.00 N ATOM 820 CA LYS C 13 3.221 0.422 10.092 1.00 0.00 C ATOM 821 C LYS C 13 1.960 1.232 9.803 1.00 0.00 C ATOM 822 O LYS C 13 1.105 1.403 10.670 1.00 0.00 O ATOM 823 CB LYS C 13 4.372 1.356 10.473 1.00 0.00 C ATOM 824 CG LYS C 13 4.014 2.106 11.758 1.00 0.00 C ATOM 825 CD LYS C 13 5.203 2.960 12.198 1.00 0.00 C ATOM 826 CE LYS C 13 4.862 3.680 13.503 1.00 0.00 C ATOM 827 NZ LYS C 13 3.721 4.610 13.275 1.00 0.00 N ATOM 0 H LYS C 13 4.474 -0.141 8.507 1.00 0.00 H new ATOM 0 HA LYS C 13 3.021 -0.246 10.930 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.288 0.783 10.617 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.562 2.064 9.667 1.00 0.00 H new ATOM 0 HG2 LYS C 13 3.141 2.737 11.592 1.00 0.00 H new ATOM 0 HG3 LYS C 13 3.751 1.398 12.544 1.00 0.00 H new ATOM 0 HD2 LYS C 13 6.083 2.332 12.337 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.448 3.687 11.423 1.00 0.00 H new ATOM 0 HE2 LYS C 13 4.605 2.954 14.274 1.00 0.00 H new ATOM 0 HE3 LYS C 13 5.729 4.233 13.863 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 3.692 5.318 14.037 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 3.842 5.090 12.360 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 2.831 4.072 13.269 1.00 0.00 H new ATOM 841 N LEU C 14 1.858 1.732 8.577 1.00 0.00 N ATOM 842 CA LEU C 14 0.705 2.528 8.177 1.00 0.00 C ATOM 843 C LEU C 14 -0.575 1.704 8.268 1.00 0.00 C ATOM 844 O LEU C 14 -1.602 2.188 8.742 1.00 0.00 O ATOM 845 CB LEU C 14 0.912 3.012 6.734 1.00 0.00 C ATOM 846 CG LEU C 14 1.971 4.137 6.691 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.566 4.254 5.274 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.324 5.484 7.050 1.00 0.00 C ATOM 0 H LEU C 14 2.557 1.601 7.846 1.00 0.00 H new ATOM 0 HA LEU C 14 0.609 3.382 8.847 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.230 2.180 6.106 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.031 3.376 6.327 1.00 0.00 H new ATOM 0 HG LEU C 14 2.755 3.893 7.407 1.00 0.00 H new ATOM 0 HD11 LEU C 14 3.311 5.050 5.257 1.00 0.00 H new ATOM 0 HD12 LEU C 14 3.037 3.310 4.998 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.772 4.485 4.564 1.00 0.00 H new ATOM 0 HD21 LEU C 14 2.078 6.270 7.017 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.533 5.710 6.335 1.00 0.00 H new ATOM 0 HD23 LEU C 14 0.901 5.429 8.053 1.00 0.00 H new ATOM 860 N LEU C 15 -0.501 0.459 7.831 1.00 0.00 N ATOM 861 CA LEU C 15 -1.657 -0.423 7.886 1.00 0.00 C ATOM 862 C LEU C 15 -2.053 -0.693 9.335 1.00 0.00 C ATOM 863 O LEU C 15 -3.233 -0.750 9.669 1.00 0.00 O ATOM 864 CB LEU C 15 -1.346 -1.735 7.172 1.00 0.00 C ATOM 865 CG LEU C 15 -1.213 -1.477 5.662 1.00 0.00 C ATOM 866 CD1 LEU C 15 -0.670 -2.736 4.984 1.00 0.00 C ATOM 867 CD2 LEU C 15 -2.580 -1.100 5.045 1.00 0.00 C ATOM 0 H LEU C 15 0.340 0.037 7.437 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.493 0.064 7.384 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -0.422 -2.163 7.561 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -2.138 -2.460 7.360 1.00 0.00 H new ATOM 0 HG LEU C 15 -0.527 -0.644 5.506 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -0.573 -2.559 3.913 1.00 0.00 H new ATOM 0 HD12 LEU C 15 0.307 -2.981 5.401 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -1.356 -3.566 5.155 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -2.460 -0.922 3.976 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -3.287 -1.915 5.200 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.958 -0.196 5.523 1.00 0.00 H new ATOM 879 N ASP C 16 -1.052 -0.857 10.191 1.00 0.00 N ATOM 880 CA ASP C 16 -1.299 -1.127 11.605 1.00 0.00 C ATOM 881 C ASP C 16 -2.051 0.034 12.251 1.00 0.00 C ATOM 882 O ASP C 16 -2.912 -0.166 13.109 1.00 0.00 O ATOM 883 CB ASP C 16 0.028 -1.349 12.331 1.00 0.00 C ATOM 884 CG ASP C 16 0.626 -2.692 11.926 1.00 0.00 C ATOM 885 OD1 ASP C 16 -0.095 -3.494 11.357 1.00 0.00 O ATOM 886 OD2 ASP C 16 1.801 -2.897 12.187 1.00 0.00 O ATOM 0 H ASP C 16 -0.066 -0.808 9.934 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.911 -2.026 11.684 1.00 0.00 H new ATOM 0 HB2 ASP C 16 0.723 -0.545 12.090 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -0.129 -1.322 13.409 1.00 0.00 H new ATOM 891 N ASP C 17 -1.721 1.247 11.833 1.00 0.00 N ATOM 892 CA ASP C 17 -2.366 2.438 12.371 1.00 0.00 C ATOM 893 C ASP C 17 -3.847 2.451 12.011 1.00 0.00 C ATOM 894 O ASP C 17 -4.613 3.265 12.525 1.00 0.00 O ATOM 895 CB ASP C 17 -1.693 3.701 11.829 1.00 0.00 C ATOM 896 CG ASP C 17 -0.314 3.864 12.456 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.449 4.677 11.959 1.00 0.00 O ATOM 898 OD2 ASP C 17 -0.040 3.176 13.425 1.00 0.00 O ATOM 0 H ASP C 17 -1.012 1.434 11.124 1.00 0.00 H new ATOM 0 HA ASP C 17 -2.265 2.419 13.456 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.604 3.639 10.744 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.308 4.574 12.049 1.00 0.00 H new ATOM 903 N SER C 18 -4.246 1.552 11.120 1.00 0.00 N ATOM 904 CA SER C 18 -5.638 1.483 10.694 1.00 0.00 C ATOM 905 C SER C 18 -6.554 1.210 11.875 1.00 0.00 C ATOM 906 O SER C 18 -7.750 1.494 11.827 1.00 0.00 O ATOM 907 CB SER C 18 -5.810 0.374 9.659 1.00 0.00 C ATOM 908 OG SER C 18 -5.501 -0.879 10.256 1.00 0.00 O ATOM 0 H SER C 18 -3.632 0.866 10.682 1.00 0.00 H new ATOM 0 HA SER C 18 -5.906 2.444 10.256 1.00 0.00 H new ATOM 0 HB2 SER C 18 -6.833 0.368 9.282 1.00 0.00 H new ATOM 0 HB3 SER C 18 -5.157 0.554 8.805 1.00 0.00 H new ATOM 0 HG SER C 18 -4.598 -1.154 9.991 1.00 0.00 H new ATOM 914 N SER C 19 -5.985 0.657 12.930 1.00 0.00 N ATOM 915 CA SER C 19 -6.765 0.345 14.128 1.00 0.00 C ATOM 916 C SER C 19 -6.955 1.586 14.989 1.00 0.00 C ATOM 917 O SER C 19 -7.835 1.636 15.849 1.00 0.00 O ATOM 918 CB SER C 19 -6.061 -0.738 14.946 1.00 0.00 C ATOM 919 OG SER C 19 -6.018 -1.943 14.194 1.00 0.00 O ATOM 0 H SER C 19 -4.996 0.414 12.989 1.00 0.00 H new ATOM 0 HA SER C 19 -7.743 -0.016 13.811 1.00 0.00 H new ATOM 0 HB2 SER C 19 -5.050 -0.418 15.200 1.00 0.00 H new ATOM 0 HB3 SER C 19 -6.589 -0.901 15.885 1.00 0.00 H new ATOM 0 HG SER C 19 -5.566 -2.638 14.716 1.00 0.00 H new ATOM 925 N SER C 20 -6.129 2.586 14.737 1.00 0.00 N ATOM 926 CA SER C 20 -6.206 3.845 15.475 1.00 0.00 C ATOM 927 C SER C 20 -7.299 4.744 14.903 1.00 0.00 C ATOM 928 O SER C 20 -7.594 4.696 13.708 1.00 0.00 O ATOM 929 CB SER C 20 -4.862 4.576 15.425 1.00 0.00 C ATOM 930 OG SER C 20 -3.846 3.725 15.944 1.00 0.00 O ATOM 0 H SER C 20 -5.396 2.556 14.028 1.00 0.00 H new ATOM 0 HA SER C 20 -6.450 3.612 16.512 1.00 0.00 H new ATOM 0 HB2 SER C 20 -4.627 4.859 14.399 1.00 0.00 H new ATOM 0 HB3 SER C 20 -4.914 5.497 16.006 1.00 0.00 H new ATOM 0 HG SER C 20 -2.983 4.189 15.912 1.00 0.00 H new