USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=27 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 Set 1.1: A 2 ASN :FLIP amide:sc= -0.223 F(o=-4.1!,f=-1.1) USER MOD Set 1.2: C 20 SER OG : rot 173:sc= -0.853! USER MOD Set 2.1: C 18 SER OG : rot -82:sc= 1.21 USER MOD Set 2.2: C 19 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 20 SER OG : rot 170:sc= -0.914! USER MOD Set 3.2: C 2 ASN :FLIP amide:sc= -0.132 F(o=-4.2!,f=-1) USER MOD Set 4.1: B 18 SER OG : rot -107:sc= 1.19 USER MOD Set 4.2: B 19 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 20 SER OG : rot 168:sc= -1.16! USER MOD Set 5.2: B 2 ASN :FLIP amide:sc= -0.0397 F(o=-4.7!,f=-1.2) USER MOD Set 6.1: A 18 SER OG : rot -107:sc= 1.2 USER MOD Set 6.2: A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ -160:sc= -0.0386 (180deg=-0.494) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 69:sc= 0.0357 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= -0.0858 (180deg=-0.58) USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.235) USER MOD Single : B 1 LYS N :NH3+ -160:sc= -0.033 (180deg=-0.42) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 THR OG1 : rot 71:sc= 0.0379 USER MOD Single : B 11 CYS SG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ -160:sc= -0.0353 (180deg=-0.591) USER MOD Single : B 13 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.257) USER MOD Single : C 1 LYS N :NH3+ -159:sc= -0.0551 (180deg=-0.521) USER MOD Single : C 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 9 THR OG1 : rot 70:sc= 0.0424 USER MOD Single : C 11 CYS SG : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ -160:sc= -0.0704 (180deg=-0.532) USER MOD Single : C 13 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.218) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.446 4.885 15.990 1.00 0.00 N ATOM 2 CA LYS A 1 -7.376 5.987 15.777 1.00 0.00 C ATOM 3 C LYS A 1 -6.700 7.101 14.990 1.00 0.00 C ATOM 4 O LYS A 1 -7.209 8.220 14.910 1.00 0.00 O ATOM 5 CB LYS A 1 -7.863 6.531 17.122 1.00 0.00 C ATOM 6 CG LYS A 1 -8.706 5.468 17.826 1.00 0.00 C ATOM 7 CD LYS A 1 -9.177 6.002 19.180 1.00 0.00 C ATOM 8 CE LYS A 1 -10.010 4.932 19.888 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.447 5.442 21.219 1.00 0.00 N ATOM 0 H3 LYS A 1 -6.978 4.020 16.212 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.230 5.617 15.209 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.012 6.807 17.745 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.452 7.435 16.969 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.565 5.203 17.209 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.121 4.559 17.966 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.319 6.275 19.794 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.770 6.906 19.040 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.879 4.673 19.283 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.424 4.021 20.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.013 4.715 21.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.611 5.668 21.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.021 6.299 21.091 1.00 0.00 H new ATOM 23 N ASN A 2 -5.536 6.793 14.442 1.00 0.00 N ATOM 24 CA ASN A 2 -4.774 7.784 13.695 1.00 0.00 C ATOM 25 C ASN A 2 -5.560 8.270 12.472 1.00 0.00 C ATOM 26 O ASN A 2 -6.331 7.516 11.880 1.00 0.00 O ATOM 27 CB ASN A 2 -3.450 7.181 13.220 1.00 0.00 C ATOM 28 CG ASN A 2 -2.605 6.771 14.413 1.00 0.00 C ATOM 29 OD1 ASN A 2 -1.922 5.664 14.352 1.00 0.00 O flip ATOM 30 ND2 ASN A 2 -2.569 7.473 15.422 1.00 0.00 N flip ATOM 0 H ASN A 2 -5.100 5.873 14.499 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.584 8.628 14.358 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.642 6.315 12.586 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.908 7.906 12.613 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.107 8.338 15.461 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.001 7.190 16.220 1.00 0.00 H new ATOM 37 N PRO A 3 -5.368 9.505 12.072 1.00 0.00 N ATOM 38 CA PRO A 3 -6.064 10.084 10.877 1.00 0.00 C ATOM 39 C PRO A 3 -5.628 9.402 9.579 1.00 0.00 C ATOM 40 O PRO A 3 -6.317 9.474 8.562 1.00 0.00 O ATOM 41 CB PRO A 3 -5.649 11.572 10.903 1.00 0.00 C ATOM 42 CG PRO A 3 -4.371 11.608 11.680 1.00 0.00 C ATOM 43 CD PRO A 3 -4.476 10.492 12.712 1.00 0.00 C ATOM 0 HA PRO A 3 -7.144 9.945 10.914 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.508 11.959 9.894 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.415 12.186 11.376 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.512 11.455 11.026 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -4.235 12.575 12.164 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -3.500 10.062 12.938 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -4.890 10.855 13.653 1.00 0.00 H new ATOM 51 N GLU A 4 -4.483 8.736 9.629 1.00 0.00 N ATOM 52 CA GLU A 4 -3.956 8.042 8.462 1.00 0.00 C ATOM 53 C GLU A 4 -4.879 6.896 8.063 1.00 0.00 C ATOM 54 O GLU A 4 -4.739 6.323 6.980 1.00 0.00 O ATOM 55 CB GLU A 4 -2.554 7.501 8.748 1.00 0.00 C ATOM 56 CG GLU A 4 -1.586 8.670 8.944 1.00 0.00 C ATOM 57 CD GLU A 4 -0.194 8.143 9.268 1.00 0.00 C ATOM 58 OE1 GLU A 4 0.702 8.955 9.434 1.00 0.00 O ATOM 59 OE2 GLU A 4 -0.041 6.935 9.344 1.00 0.00 O ATOM 0 H GLU A 4 -3.902 8.661 10.464 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.899 8.754 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.569 6.874 9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.220 6.873 7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.552 9.280 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.938 9.313 9.751 1.00 0.00 H new ATOM 66 N ALA A 5 -5.816 6.564 8.951 1.00 0.00 N ATOM 67 CA ALA A 5 -6.745 5.470 8.697 1.00 0.00 C ATOM 68 C ALA A 5 -7.475 5.696 7.379 1.00 0.00 C ATOM 69 O ALA A 5 -7.866 4.742 6.706 1.00 0.00 O ATOM 70 CB ALA A 5 -7.762 5.382 9.840 1.00 0.00 C ATOM 0 H ALA A 5 -5.949 7.035 9.846 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.185 4.537 8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.455 4.563 9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.239 5.202 10.779 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.316 6.318 9.907 1.00 0.00 H new ATOM 76 N GLU A 6 -7.633 6.957 6.999 1.00 0.00 N ATOM 77 CA GLU A 6 -8.293 7.282 5.740 1.00 0.00 C ATOM 78 C GLU A 6 -7.494 6.716 4.565 1.00 0.00 C ATOM 79 O GLU A 6 -8.062 6.219 3.589 1.00 0.00 O ATOM 80 CB GLU A 6 -8.417 8.800 5.598 1.00 0.00 C ATOM 81 CG GLU A 6 -9.439 9.324 6.606 1.00 0.00 C ATOM 82 CD GLU A 6 -9.498 10.846 6.547 1.00 0.00 C ATOM 83 OE1 GLU A 6 -10.333 11.414 7.232 1.00 0.00 O ATOM 84 OE2 GLU A 6 -8.708 11.423 5.818 1.00 0.00 O ATOM 0 H GLU A 6 -7.317 7.764 7.537 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.288 6.837 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.449 9.272 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.725 9.057 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.422 8.905 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.169 9.001 7.611 1.00 0.00 H new ATOM 91 N GLU A 7 -6.168 6.794 4.665 1.00 0.00 N ATOM 92 CA GLU A 7 -5.298 6.289 3.607 1.00 0.00 C ATOM 93 C GLU A 7 -5.427 4.773 3.498 1.00 0.00 C ATOM 94 O GLU A 7 -5.427 4.214 2.402 1.00 0.00 O ATOM 95 CB GLU A 7 -3.841 6.664 3.888 1.00 0.00 C ATOM 96 CG GLU A 7 -2.976 6.305 2.675 1.00 0.00 C ATOM 97 CD GLU A 7 -3.368 7.174 1.479 1.00 0.00 C ATOM 98 OE1 GLU A 7 -3.989 6.655 0.563 1.00 0.00 O ATOM 99 OE2 GLU A 7 -3.040 8.350 1.499 1.00 0.00 O ATOM 0 H GLU A 7 -5.677 7.199 5.462 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.604 6.743 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.764 7.730 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.483 6.136 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.922 6.452 2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.102 5.251 2.427 1.00 0.00 H new ATOM 106 N ILE A 8 -5.545 4.113 4.639 1.00 0.00 N ATOM 107 CA ILE A 8 -5.682 2.657 4.657 1.00 0.00 C ATOM 108 C ILE A 8 -6.946 2.244 3.905 1.00 0.00 C ATOM 109 O ILE A 8 -6.934 1.277 3.143 1.00 0.00 O ATOM 110 CB ILE A 8 -5.726 2.144 6.111 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.300 2.070 6.689 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.377 0.755 6.166 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.704 3.471 6.798 1.00 0.00 C ATOM 0 H ILE A 8 -5.549 4.553 5.559 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.819 2.213 4.161 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.319 2.838 6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.322 1.598 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.672 1.448 6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.401 0.405 7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.394 0.814 5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.798 0.058 5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.696 3.407 7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.665 3.928 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.325 4.080 7.455 1.00 0.00 H new ATOM 125 N THR A 9 -8.026 2.977 4.124 1.00 0.00 N ATOM 126 CA THR A 9 -9.280 2.666 3.457 1.00 0.00 C ATOM 127 C THR A 9 -9.090 2.748 1.944 1.00 0.00 C ATOM 128 O THR A 9 -9.554 1.886 1.197 1.00 0.00 O ATOM 129 CB THR A 9 -10.359 3.649 3.908 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.564 3.522 5.307 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.663 3.351 3.169 1.00 0.00 C ATOM 0 H THR A 9 -8.061 3.781 4.750 1.00 0.00 H new ATOM 0 HA THR A 9 -9.591 1.655 3.720 1.00 0.00 H new ATOM 0 HB THR A 9 -10.040 4.666 3.681 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.777 3.857 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.432 4.053 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.505 3.454 2.096 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.983 2.333 3.392 1.00 0.00 H new ATOM 139 N ARG A 10 -8.388 3.784 1.504 1.00 0.00 N ATOM 140 CA ARG A 10 -8.111 3.960 0.081 1.00 0.00 C ATOM 141 C ARG A 10 -7.269 2.800 -0.439 1.00 0.00 C ATOM 142 O ARG A 10 -7.471 2.322 -1.554 1.00 0.00 O ATOM 143 CB ARG A 10 -7.375 5.279 -0.143 1.00 0.00 C ATOM 144 CG ARG A 10 -8.341 6.450 0.050 1.00 0.00 C ATOM 145 CD ARG A 10 -7.544 7.746 0.190 1.00 0.00 C ATOM 146 NE ARG A 10 -6.586 7.871 -0.903 1.00 0.00 N ATOM 147 CZ ARG A 10 -6.944 8.338 -2.091 1.00 0.00 C ATOM 148 NH1 ARG A 10 -6.058 8.440 -3.044 1.00 0.00 N ATOM 149 NH2 ARG A 10 -8.181 8.690 -2.308 1.00 0.00 N ATOM 0 H ARG A 10 -8.002 4.512 2.105 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.055 3.980 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.542 5.364 0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.954 5.305 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.022 6.518 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.953 6.289 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.222 8.600 0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.020 7.757 1.146 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.617 7.592 -0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.092 8.161 -2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.332 8.799 -3.959 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.873 8.606 -1.564 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.456 9.049 -3.222 1.00 0.00 H new ATOM 163 N CYS A 11 -6.323 2.353 0.380 1.00 0.00 N ATOM 164 CA CYS A 11 -5.454 1.247 -0.002 1.00 0.00 C ATOM 165 C CYS A 11 -6.285 0.031 -0.400 1.00 0.00 C ATOM 166 O CYS A 11 -6.025 -0.603 -1.424 1.00 0.00 O ATOM 167 CB CYS A 11 -4.538 0.877 1.167 1.00 0.00 C ATOM 168 SG CYS A 11 -3.107 -0.032 0.539 1.00 0.00 S ATOM 0 H CYS A 11 -6.139 2.737 1.307 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.850 1.559 -0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.212 1.777 1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.081 0.269 1.891 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.325 -0.347 1.528 1.00 0.00 H new ATOM 173 N LYS A 12 -7.282 -0.288 0.415 1.00 0.00 N ATOM 174 CA LYS A 12 -8.139 -1.432 0.137 1.00 0.00 C ATOM 175 C LYS A 12 -8.880 -1.233 -1.181 1.00 0.00 C ATOM 176 O LYS A 12 -9.011 -2.162 -1.975 1.00 0.00 O ATOM 177 CB LYS A 12 -9.149 -1.614 1.274 1.00 0.00 C ATOM 178 CG LYS A 12 -8.417 -2.071 2.538 1.00 0.00 C ATOM 179 CD LYS A 12 -9.426 -2.261 3.673 1.00 0.00 C ATOM 180 CE LYS A 12 -8.689 -2.683 4.945 1.00 0.00 C ATOM 181 NZ LYS A 12 -7.991 -3.979 4.706 1.00 0.00 N ATOM 0 H LYS A 12 -7.516 0.224 1.266 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.516 -2.323 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.673 -0.677 1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.903 -2.349 0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.888 -3.005 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.667 -1.333 2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.972 -1.334 3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.161 -3.017 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.969 -1.917 5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.394 -2.784 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.782 -4.434 5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.601 -4.602 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.102 -3.805 4.194 1.00 0.00 H new ATOM 195 N LYS A 13 -9.357 -0.018 -1.407 1.00 0.00 N ATOM 196 CA LYS A 13 -10.078 0.290 -2.637 1.00 0.00 C ATOM 197 C LYS A 13 -9.158 0.150 -3.840 1.00 0.00 C ATOM 198 O LYS A 13 -9.558 -0.364 -4.882 1.00 0.00 O ATOM 199 CB LYS A 13 -10.633 1.714 -2.568 1.00 0.00 C ATOM 200 CG LYS A 13 -11.661 1.826 -1.434 1.00 0.00 C ATOM 201 CD LYS A 13 -12.891 0.957 -1.735 1.00 0.00 C ATOM 202 CE LYS A 13 -14.058 1.402 -0.860 1.00 0.00 C ATOM 203 NZ LYS A 13 -13.667 1.298 0.574 1.00 0.00 N ATOM 0 H LYS A 13 -9.260 0.766 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.903 -0.413 -2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.820 2.422 -2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.098 1.978 -3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.209 1.513 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.964 2.866 -1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.160 1.042 -2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.662 -0.092 -1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.336 2.428 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.932 0.781 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.517 1.351 1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.185 0.391 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.025 2.079 0.816 1.00 0.00 H new ATOM 217 N LEU A 14 -7.925 0.610 -3.689 1.00 0.00 N ATOM 218 CA LEU A 14 -6.957 0.527 -4.775 1.00 0.00 C ATOM 219 C LEU A 14 -6.667 -0.924 -5.129 1.00 0.00 C ATOM 220 O LEU A 14 -6.578 -1.279 -6.304 1.00 0.00 O ATOM 221 CB LEU A 14 -5.660 1.224 -4.358 1.00 0.00 C ATOM 222 CG LEU A 14 -5.879 2.743 -4.301 1.00 0.00 C ATOM 223 CD1 LEU A 14 -4.682 3.407 -3.607 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.021 3.319 -5.728 1.00 0.00 C ATOM 0 H LEU A 14 -7.572 1.041 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.375 1.020 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.337 0.857 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.866 0.988 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.793 2.945 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.837 4.485 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.586 3.016 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.772 3.192 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.176 4.396 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.114 3.112 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.874 2.855 -6.224 1.00 0.00 H new ATOM 236 N LEU A 15 -6.522 -1.755 -4.108 1.00 0.00 N ATOM 237 CA LEU A 15 -6.243 -3.170 -4.319 1.00 0.00 C ATOM 238 C LEU A 15 -7.414 -3.851 -5.021 1.00 0.00 C ATOM 239 O LEU A 15 -7.227 -4.692 -5.895 1.00 0.00 O ATOM 240 CB LEU A 15 -5.969 -3.849 -2.978 1.00 0.00 C ATOM 241 CG LEU A 15 -4.639 -3.331 -2.405 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.484 -3.819 -0.964 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.446 -3.832 -3.255 1.00 0.00 C ATOM 0 H LEU A 15 -6.592 -1.477 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.362 -3.260 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.782 -3.644 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.925 -4.930 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.647 -2.241 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.542 -3.453 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.311 -3.443 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.488 -4.909 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.515 -3.455 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.430 -4.922 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.552 -3.473 -4.279 1.00 0.00 H new ATOM 255 N ASP A 16 -8.622 -3.479 -4.628 1.00 0.00 N ATOM 256 CA ASP A 16 -9.823 -4.059 -5.218 1.00 0.00 C ATOM 257 C ASP A 16 -9.895 -3.738 -6.709 1.00 0.00 C ATOM 258 O ASP A 16 -10.340 -4.557 -7.513 1.00 0.00 O ATOM 259 CB ASP A 16 -11.065 -3.517 -4.510 1.00 0.00 C ATOM 260 CG ASP A 16 -11.159 -4.102 -3.103 1.00 0.00 C ATOM 261 OD1 ASP A 16 -11.910 -3.562 -2.310 1.00 0.00 O ATOM 262 OD2 ASP A 16 -10.481 -5.083 -2.844 1.00 0.00 O ATOM 0 H ASP A 16 -8.799 -2.781 -3.906 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.783 -5.141 -5.096 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.019 -2.429 -4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.959 -3.772 -5.079 1.00 0.00 H new ATOM 267 N ASP A 17 -9.455 -2.539 -7.062 1.00 0.00 N ATOM 268 CA ASP A 17 -9.468 -2.099 -8.451 1.00 0.00 C ATOM 269 C ASP A 17 -8.538 -2.968 -9.292 1.00 0.00 C ATOM 270 O ASP A 17 -8.516 -2.869 -10.519 1.00 0.00 O ATOM 271 CB ASP A 17 -9.038 -0.634 -8.553 1.00 0.00 C ATOM 272 CG ASP A 17 -10.123 0.269 -7.975 1.00 0.00 C ATOM 273 OD1 ASP A 17 -9.838 1.430 -7.739 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.225 -0.218 -7.775 1.00 0.00 O ATOM 0 H ASP A 17 -9.084 -1.852 -6.406 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.485 -2.196 -8.830 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.102 -0.483 -8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.852 -0.372 -9.595 1.00 0.00 H new ATOM 279 N SER A 18 -7.757 -3.810 -8.626 1.00 0.00 N ATOM 280 CA SER A 18 -6.817 -4.669 -9.329 1.00 0.00 C ATOM 281 C SER A 18 -7.540 -5.541 -10.341 1.00 0.00 C ATOM 282 O SER A 18 -6.997 -5.868 -11.395 1.00 0.00 O ATOM 283 CB SER A 18 -6.085 -5.561 -8.322 1.00 0.00 C ATOM 284 OG SER A 18 -7.020 -6.437 -7.705 1.00 0.00 O ATOM 0 H SER A 18 -7.756 -3.915 -7.611 1.00 0.00 H new ATOM 0 HA SER A 18 -6.100 -4.040 -9.857 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.308 -6.136 -8.825 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.591 -4.948 -7.568 1.00 0.00 H new ATOM 0 HG SER A 18 -7.178 -6.149 -6.782 1.00 0.00 H new ATOM 290 N SER A 19 -8.766 -5.900 -10.021 1.00 0.00 N ATOM 291 CA SER A 19 -9.579 -6.727 -10.922 1.00 0.00 C ATOM 292 C SER A 19 -10.391 -5.860 -11.873 1.00 0.00 C ATOM 293 O SER A 19 -10.956 -6.345 -12.851 1.00 0.00 O ATOM 294 CB SER A 19 -10.517 -7.626 -10.117 1.00 0.00 C ATOM 295 OG SER A 19 -9.749 -8.530 -9.337 1.00 0.00 O ATOM 0 H SER A 19 -9.230 -5.639 -9.151 1.00 0.00 H new ATOM 0 HA SER A 19 -8.902 -7.348 -11.509 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.153 -7.021 -9.471 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.176 -8.177 -10.788 1.00 0.00 H new ATOM 0 HG SER A 19 -10.349 -9.106 -8.819 1.00 0.00 H new ATOM 301 N SER A 20 -10.435 -4.572 -11.577 1.00 0.00 N ATOM 302 CA SER A 20 -11.174 -3.619 -12.406 1.00 0.00 C ATOM 303 C SER A 20 -10.348 -3.201 -13.621 1.00 0.00 C ATOM 304 O SER A 20 -9.119 -3.174 -13.570 1.00 0.00 O ATOM 305 CB SER A 20 -11.549 -2.381 -11.594 1.00 0.00 C ATOM 306 OG SER A 20 -10.373 -1.653 -11.275 1.00 0.00 O ATOM 0 H SER A 20 -9.970 -4.157 -10.770 1.00 0.00 H new ATOM 0 HA SER A 20 -12.084 -4.111 -12.750 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.235 -1.754 -12.163 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.067 -2.674 -10.681 1.00 0.00 H new ATOM 0 HG SER A 20 -10.619 -0.770 -10.929 1.00 0.00 H new ATOM 313 N LYS B 1 -11.033 -2.868 -14.708 1.00 0.00 N ATOM 314 CA LYS B 1 -10.357 -2.443 -15.929 1.00 0.00 C ATOM 315 C LYS B 1 -9.843 -1.018 -15.779 1.00 0.00 C ATOM 316 O LYS B 1 -9.465 -0.375 -16.757 1.00 0.00 O ATOM 317 CB LYS B 1 -11.315 -2.521 -17.119 1.00 0.00 C ATOM 318 CG LYS B 1 -11.671 -3.984 -17.390 1.00 0.00 C ATOM 319 CD LYS B 1 -12.640 -4.064 -18.569 1.00 0.00 C ATOM 320 CE LYS B 1 -13.003 -5.527 -18.832 1.00 0.00 C ATOM 321 NZ LYS B 1 -13.962 -5.603 -19.971 1.00 0.00 N ATOM 0 H3 LYS B 1 -11.077 -3.907 -14.679 1.00 0.00 H new ATOM 0 HA LYS B 1 -9.513 -3.110 -16.106 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -12.219 -1.948 -16.911 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -10.853 -2.078 -18.001 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -10.768 -4.554 -17.608 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -12.123 -4.429 -16.504 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -13.540 -3.488 -18.354 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -12.186 -3.625 -19.457 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -12.105 -6.101 -19.060 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -13.446 -5.969 -17.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -14.209 -6.597 -20.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -14.823 -5.069 -19.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -13.523 -5.196 -20.822 1.00 0.00 H new ATOM 335 N ASN B 2 -9.862 -0.526 -14.550 1.00 0.00 N ATOM 336 CA ASN B 2 -9.429 0.838 -14.282 1.00 0.00 C ATOM 337 C ASN B 2 -7.953 1.027 -14.653 1.00 0.00 C ATOM 338 O ASN B 2 -7.158 0.095 -14.552 1.00 0.00 O ATOM 339 CB ASN B 2 -9.606 1.163 -12.796 1.00 0.00 C ATOM 340 CG ASN B 2 -11.070 1.063 -12.410 1.00 0.00 C ATOM 341 OD1 ASN B 2 -11.385 0.531 -11.264 1.00 0.00 O flip ATOM 342 ND2 ASN B 2 -11.945 1.474 -13.169 1.00 0.00 N flip ATOM 0 H ASN B 2 -10.170 -1.045 -13.728 1.00 0.00 H new ATOM 0 HA ASN B 2 -10.040 1.507 -14.888 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -9.015 0.474 -12.192 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -9.235 2.167 -12.589 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -11.689 1.889 -14.065 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -12.927 1.400 -12.903 1.00 0.00 H new ATOM 349 N PRO B 3 -7.573 2.214 -15.064 1.00 0.00 N ATOM 350 CA PRO B 3 -6.154 2.523 -15.434 1.00 0.00 C ATOM 351 C PRO B 3 -5.221 2.444 -14.223 1.00 0.00 C ATOM 352 O PRO B 3 -4.006 2.310 -14.367 1.00 0.00 O ATOM 353 CB PRO B 3 -6.230 3.958 -16.000 1.00 0.00 C ATOM 354 CG PRO B 3 -7.469 4.548 -15.403 1.00 0.00 C ATOM 355 CD PRO B 3 -8.446 3.392 -15.231 1.00 0.00 C ATOM 0 HA PRO B 3 -5.743 1.809 -16.148 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.347 4.536 -15.728 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -6.282 3.950 -17.089 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -7.253 5.022 -14.445 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -7.886 5.318 -16.052 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -9.090 3.538 -14.364 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -9.098 3.287 -16.098 1.00 0.00 H new ATOM 363 N GLU B 4 -5.803 2.524 -13.036 1.00 0.00 N ATOM 364 CA GLU B 4 -5.027 2.465 -11.803 1.00 0.00 C ATOM 365 C GLU B 4 -4.366 1.098 -11.656 1.00 0.00 C ATOM 366 O GLU B 4 -3.492 0.910 -10.806 1.00 0.00 O ATOM 367 CB GLU B 4 -5.922 2.737 -10.594 1.00 0.00 C ATOM 368 CG GLU B 4 -6.418 4.183 -10.640 1.00 0.00 C ATOM 369 CD GLU B 4 -7.335 4.457 -9.455 1.00 0.00 C ATOM 370 OE1 GLU B 4 -7.804 5.578 -9.339 1.00 0.00 O ATOM 371 OE2 GLU B 4 -7.554 3.544 -8.676 1.00 0.00 O ATOM 0 H GLU B 4 -6.808 2.630 -12.899 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.253 3.231 -11.850 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.769 2.051 -10.594 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.369 2.561 -9.672 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -5.570 4.868 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -6.952 4.364 -11.573 1.00 0.00 H new ATOM 378 N ALA B 5 -4.795 0.149 -12.485 1.00 0.00 N ATOM 379 CA ALA B 5 -4.259 -1.205 -12.428 1.00 0.00 C ATOM 380 C ALA B 5 -2.742 -1.173 -12.570 1.00 0.00 C ATOM 381 O ALA B 5 -2.043 -2.035 -12.038 1.00 0.00 O ATOM 382 CB ALA B 5 -4.863 -2.048 -13.557 1.00 0.00 C ATOM 0 H ALA B 5 -5.508 0.293 -13.200 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.518 -1.648 -11.466 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.460 -3.060 -13.511 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -5.947 -2.084 -13.445 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.612 -1.601 -14.519 1.00 0.00 H new ATOM 388 N GLU B 6 -2.233 -0.162 -13.262 1.00 0.00 N ATOM 389 CA GLU B 6 -0.791 -0.022 -13.432 1.00 0.00 C ATOM 390 C GLU B 6 -0.119 0.178 -12.073 1.00 0.00 C ATOM 391 O GLU B 6 0.963 -0.351 -11.815 1.00 0.00 O ATOM 392 CB GLU B 6 -0.494 1.176 -14.337 1.00 0.00 C ATOM 393 CG GLU B 6 -0.924 0.853 -15.768 1.00 0.00 C ATOM 394 CD GLU B 6 -0.749 2.081 -16.654 1.00 0.00 C ATOM 395 OE1 GLU B 6 -0.976 1.961 -17.848 1.00 0.00 O ATOM 396 OE2 GLU B 6 -0.392 3.122 -16.130 1.00 0.00 O ATOM 0 H GLU B 6 -2.789 0.566 -13.710 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.397 -0.929 -13.891 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -1.024 2.058 -13.977 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.570 1.411 -14.310 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.330 0.026 -16.157 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.965 0.531 -15.780 1.00 0.00 H new ATOM 403 N GLU B 7 -0.772 0.948 -11.204 1.00 0.00 N ATOM 404 CA GLU B 7 -0.230 1.214 -9.874 1.00 0.00 C ATOM 405 C GLU B 7 -0.193 -0.070 -9.053 1.00 0.00 C ATOM 406 O GLU B 7 0.751 -0.315 -8.304 1.00 0.00 O ATOM 407 CB GLU B 7 -1.078 2.266 -9.153 1.00 0.00 C ATOM 408 CG GLU B 7 -0.385 2.677 -7.849 1.00 0.00 C ATOM 409 CD GLU B 7 0.934 3.388 -8.160 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.980 2.800 -7.929 1.00 0.00 O ATOM 411 OE2 GLU B 7 0.877 4.514 -8.627 1.00 0.00 O ATOM 0 H GLU B 7 -1.669 1.395 -11.395 1.00 0.00 H new ATOM 0 HA GLU B 7 0.785 1.595 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.217 3.137 -9.793 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.069 1.866 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.036 3.335 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.197 1.797 -7.234 1.00 0.00 H new ATOM 418 N ILE B 8 -1.221 -0.891 -9.205 1.00 0.00 N ATOM 419 CA ILE B 8 -1.288 -2.156 -8.474 1.00 0.00 C ATOM 420 C ILE B 8 -0.105 -3.045 -8.854 1.00 0.00 C ATOM 421 O ILE B 8 0.504 -3.681 -7.994 1.00 0.00 O ATOM 422 CB ILE B 8 -2.620 -2.874 -8.776 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.754 -2.264 -7.931 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.497 -4.374 -8.473 1.00 0.00 C ATOM 425 CD1 ILE B 8 -4.005 -0.817 -8.350 1.00 0.00 C ATOM 0 H ILE B 8 -2.015 -0.711 -9.820 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.239 -1.950 -7.405 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.852 -2.744 -9.833 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -4.665 -2.849 -8.055 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.491 -2.304 -6.874 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.444 -4.868 -8.691 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.711 -4.807 -9.092 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.248 -4.513 -7.421 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.809 -0.397 -7.745 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -3.097 -0.233 -8.202 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -4.289 -0.787 -9.402 1.00 0.00 H new ATOM 437 N THR B 9 0.210 -3.086 -10.138 1.00 0.00 N ATOM 438 CA THR B 9 1.318 -3.903 -10.604 1.00 0.00 C ATOM 439 C THR B 9 2.608 -3.445 -9.929 1.00 0.00 C ATOM 440 O THR B 9 3.414 -4.260 -9.478 1.00 0.00 O ATOM 441 CB THR B 9 1.445 -3.782 -12.124 1.00 0.00 C ATOM 442 OG1 THR B 9 0.255 -4.259 -12.738 1.00 0.00 O ATOM 443 CG2 THR B 9 2.635 -4.609 -12.606 1.00 0.00 C ATOM 0 H THR B 9 -0.279 -2.570 -10.869 1.00 0.00 H new ATOM 0 HA THR B 9 1.134 -4.947 -10.348 1.00 0.00 H new ATOM 0 HB THR B 9 1.599 -2.737 -12.393 1.00 0.00 H new ATOM 0 HG1 THR B 9 -0.474 -3.624 -12.576 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.724 -4.522 -13.689 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.547 -4.242 -12.136 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.484 -5.655 -12.337 1.00 0.00 H new ATOM 451 N ARG B 10 2.785 -2.134 -9.843 1.00 0.00 N ATOM 452 CA ARG B 10 3.963 -1.569 -9.191 1.00 0.00 C ATOM 453 C ARG B 10 3.982 -1.958 -7.716 1.00 0.00 C ATOM 454 O ARG B 10 5.035 -2.247 -7.150 1.00 0.00 O ATOM 455 CB ARG B 10 3.953 -0.050 -9.331 1.00 0.00 C ATOM 456 CG ARG B 10 4.269 0.337 -10.778 1.00 0.00 C ATOM 457 CD ARG B 10 3.912 1.806 -10.996 1.00 0.00 C ATOM 458 NE ARG B 10 4.498 2.629 -9.942 1.00 0.00 N ATOM 459 CZ ARG B 10 5.759 3.035 -9.995 1.00 0.00 C ATOM 460 NH1 ARG B 10 6.247 3.773 -9.038 1.00 0.00 N ATOM 461 NH2 ARG B 10 6.511 2.692 -11.004 1.00 0.00 N ATOM 0 H ARG B 10 2.133 -1.443 -10.214 1.00 0.00 H new ATOM 0 HA ARG B 10 4.859 -1.965 -9.670 1.00 0.00 H new ATOM 0 HB2 ARG B 10 2.979 0.345 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG B 10 4.687 0.392 -8.658 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.326 0.172 -10.988 1.00 0.00 H new ATOM 0 HG3 ARG B 10 3.705 -0.292 -11.467 1.00 0.00 H new ATOM 0 HD2 ARG B 10 4.276 2.136 -11.969 1.00 0.00 H new ATOM 0 HD3 ARG B 10 2.829 1.927 -11.002 1.00 0.00 H new ATOM 0 HE ARG B 10 3.922 2.899 -9.144 1.00 0.00 H new ATOM 0 HH11 ARG B 10 5.659 4.038 -8.248 1.00 0.00 H new ATOM 0 HH12 ARG B 10 7.217 4.085 -9.079 1.00 0.00 H new ATOM 0 HH21 ARG B 10 6.129 2.112 -11.751 1.00 0.00 H new ATOM 0 HH22 ARG B 10 7.481 3.004 -11.046 1.00 0.00 H new ATOM 475 N CYS B 11 2.803 -1.961 -7.099 1.00 0.00 N ATOM 476 CA CYS B 11 2.689 -2.317 -5.689 1.00 0.00 C ATOM 477 C CYS B 11 3.306 -3.688 -5.431 1.00 0.00 C ATOM 478 O CYS B 11 4.066 -3.868 -4.480 1.00 0.00 O ATOM 479 CB CYS B 11 1.217 -2.331 -5.273 1.00 0.00 C ATOM 480 SG CYS B 11 1.104 -2.184 -3.474 1.00 0.00 S ATOM 0 H CYS B 11 1.920 -1.723 -7.550 1.00 0.00 H new ATOM 0 HA CYS B 11 3.226 -1.573 -5.100 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.684 -1.509 -5.751 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.742 -3.254 -5.605 1.00 0.00 H new ATOM 0 HG CYS B 11 -0.146 -2.193 -3.115 1.00 0.00 H new ATOM 485 N LYS B 12 2.972 -4.649 -6.284 1.00 0.00 N ATOM 486 CA LYS B 12 3.497 -5.999 -6.134 1.00 0.00 C ATOM 487 C LYS B 12 5.017 -5.994 -6.265 1.00 0.00 C ATOM 488 O LYS B 12 5.716 -6.671 -5.515 1.00 0.00 O ATOM 489 CB LYS B 12 2.891 -6.917 -7.198 1.00 0.00 C ATOM 490 CG LYS B 12 1.403 -7.123 -6.907 1.00 0.00 C ATOM 491 CD LYS B 12 0.796 -8.043 -7.967 1.00 0.00 C ATOM 492 CE LYS B 12 -0.699 -8.217 -7.696 1.00 0.00 C ATOM 493 NZ LYS B 12 -0.889 -8.853 -6.362 1.00 0.00 N ATOM 0 H LYS B 12 2.346 -4.520 -7.079 1.00 0.00 H new ATOM 0 HA LYS B 12 3.229 -6.369 -5.144 1.00 0.00 H new ATOM 0 HB2 LYS B 12 3.022 -6.480 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.408 -7.877 -7.203 1.00 0.00 H new ATOM 0 HG2 LYS B 12 1.273 -7.558 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS B 12 0.886 -6.163 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS B 12 0.950 -7.622 -8.960 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.294 -9.012 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -1.200 -7.249 -7.725 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -1.151 -8.833 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -1.837 -9.277 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -0.171 -9.593 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -0.791 -8.134 -5.617 1.00 0.00 H new ATOM 507 N LYS B 13 5.521 -5.227 -7.220 1.00 0.00 N ATOM 508 CA LYS B 13 6.960 -5.142 -7.436 1.00 0.00 C ATOM 509 C LYS B 13 7.642 -4.527 -6.223 1.00 0.00 C ATOM 510 O LYS B 13 8.709 -4.973 -5.809 1.00 0.00 O ATOM 511 CB LYS B 13 7.248 -4.296 -8.678 1.00 0.00 C ATOM 512 CG LYS B 13 6.672 -4.976 -9.928 1.00 0.00 C ATOM 513 CD LYS B 13 7.389 -6.307 -10.193 1.00 0.00 C ATOM 514 CE LYS B 13 7.124 -6.753 -11.628 1.00 0.00 C ATOM 515 NZ LYS B 13 5.655 -6.886 -11.836 1.00 0.00 N ATOM 0 H LYS B 13 4.961 -4.658 -7.854 1.00 0.00 H new ATOM 0 HA LYS B 13 7.353 -6.148 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.811 -3.304 -8.561 1.00 0.00 H new ATOM 0 HB3 LYS B 13 8.323 -4.159 -8.792 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.604 -5.151 -9.795 1.00 0.00 H new ATOM 0 HG3 LYS B 13 6.782 -4.319 -10.790 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.461 -6.194 -10.028 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.038 -7.066 -9.494 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.539 -6.029 -12.329 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.619 -7.705 -11.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 5.475 -7.409 -12.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.236 -7.402 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.227 -5.941 -11.901 1.00 0.00 H new ATOM 529 N LEU B 14 7.020 -3.504 -5.660 1.00 0.00 N ATOM 530 CA LEU B 14 7.584 -2.838 -4.491 1.00 0.00 C ATOM 531 C LEU B 14 7.664 -3.796 -3.311 1.00 0.00 C ATOM 532 O LEU B 14 8.661 -3.825 -2.591 1.00 0.00 O ATOM 533 CB LEU B 14 6.710 -1.638 -4.119 1.00 0.00 C ATOM 534 CG LEU B 14 6.867 -0.532 -5.174 1.00 0.00 C ATOM 535 CD1 LEU B 14 5.780 0.529 -4.968 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.254 0.134 -5.051 1.00 0.00 C ATOM 0 H LEU B 14 6.134 -3.118 -5.987 1.00 0.00 H new ATOM 0 HA LEU B 14 8.592 -2.502 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.666 -1.944 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.995 -1.260 -3.137 1.00 0.00 H new ATOM 0 HG LEU B 14 6.771 -0.976 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.891 1.314 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.798 0.068 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.877 0.961 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.351 0.915 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.361 0.572 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.032 -0.614 -5.203 1.00 0.00 H new ATOM 548 N LEU B 15 6.613 -4.580 -3.125 1.00 0.00 N ATOM 549 CA LEU B 15 6.572 -5.542 -2.031 1.00 0.00 C ATOM 550 C LEU B 15 7.646 -6.608 -2.215 1.00 0.00 C ATOM 551 O LEU B 15 8.291 -7.032 -1.261 1.00 0.00 O ATOM 552 CB LEU B 15 5.192 -6.195 -1.965 1.00 0.00 C ATOM 553 CG LEU B 15 4.154 -5.149 -1.526 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.748 -5.727 -1.698 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.374 -4.747 -0.047 1.00 0.00 C ATOM 0 H LEU B 15 5.780 -4.571 -3.714 1.00 0.00 H new ATOM 0 HA LEU B 15 6.764 -5.015 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.924 -6.604 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.205 -7.028 -1.262 1.00 0.00 H new ATOM 0 HG LEU B 15 4.267 -4.260 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.010 -4.987 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.586 -5.984 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.645 -6.622 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.629 -4.006 0.243 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.276 -5.628 0.588 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.372 -4.324 0.070 1.00 0.00 H new ATOM 567 N ASP B 16 7.832 -7.037 -3.455 1.00 0.00 N ATOM 568 CA ASP B 16 8.827 -8.057 -3.764 1.00 0.00 C ATOM 569 C ASP B 16 10.227 -7.558 -3.418 1.00 0.00 C ATOM 570 O ASP B 16 11.076 -8.323 -2.955 1.00 0.00 O ATOM 571 CB ASP B 16 8.759 -8.419 -5.248 1.00 0.00 C ATOM 572 CG ASP B 16 7.491 -9.219 -5.533 1.00 0.00 C ATOM 573 OD1 ASP B 16 7.151 -9.354 -6.696 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.881 -9.687 -4.586 1.00 0.00 O ATOM 0 H ASP B 16 7.309 -6.697 -4.262 1.00 0.00 H new ATOM 0 HA ASP B 16 8.613 -8.944 -3.167 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.770 -7.512 -5.853 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.637 -9.001 -5.529 1.00 0.00 H new ATOM 579 N ASP B 17 10.457 -6.275 -3.648 1.00 0.00 N ATOM 580 CA ASP B 17 11.752 -5.666 -3.368 1.00 0.00 C ATOM 581 C ASP B 17 12.050 -5.713 -1.873 1.00 0.00 C ATOM 582 O ASP B 17 13.156 -5.391 -1.439 1.00 0.00 O ATOM 583 CB ASP B 17 11.779 -4.217 -3.855 1.00 0.00 C ATOM 584 CG ASP B 17 11.791 -4.182 -5.380 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.547 -3.123 -5.931 1.00 0.00 O ATOM 586 OD2 ASP B 17 12.044 -5.220 -5.974 1.00 0.00 O ATOM 0 H ASP B 17 9.763 -5.632 -4.029 1.00 0.00 H new ATOM 0 HA ASP B 17 12.517 -6.232 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.908 -3.681 -3.477 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.661 -3.709 -3.464 1.00 0.00 H new ATOM 591 N SER B 18 11.051 -6.098 -1.086 1.00 0.00 N ATOM 592 CA SER B 18 11.219 -6.156 0.360 1.00 0.00 C ATOM 593 C SER B 18 12.371 -7.073 0.730 1.00 0.00 C ATOM 594 O SER B 18 13.063 -6.849 1.721 1.00 0.00 O ATOM 595 CB SER B 18 9.932 -6.675 1.006 1.00 0.00 C ATOM 596 OG SER B 18 9.705 -8.016 0.588 1.00 0.00 O ATOM 0 H SER B 18 10.127 -6.371 -1.421 1.00 0.00 H new ATOM 0 HA SER B 18 11.438 -5.152 0.723 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.012 -6.629 2.092 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.089 -6.045 0.722 1.00 0.00 H new ATOM 0 HG SER B 18 8.961 -8.039 -0.049 1.00 0.00 H new ATOM 602 N SER B 19 12.579 -8.095 -0.078 1.00 0.00 N ATOM 603 CA SER B 19 13.673 -9.044 0.162 1.00 0.00 C ATOM 604 C SER B 19 14.948 -8.599 -0.540 1.00 0.00 C ATOM 605 O SER B 19 16.034 -9.112 -0.272 1.00 0.00 O ATOM 606 CB SER B 19 13.280 -10.439 -0.325 1.00 0.00 C ATOM 607 OG SER B 19 12.182 -10.913 0.441 1.00 0.00 O ATOM 0 H SER B 19 12.015 -8.297 -0.903 1.00 0.00 H new ATOM 0 HA SER B 19 13.860 -9.074 1.235 1.00 0.00 H new ATOM 0 HB2 SER B 19 13.014 -10.406 -1.381 1.00 0.00 H new ATOM 0 HB3 SER B 19 14.125 -11.121 -0.231 1.00 0.00 H new ATOM 0 HG SER B 19 11.927 -11.807 0.129 1.00 0.00 H new ATOM 613 N SER B 20 14.804 -7.635 -1.432 1.00 0.00 N ATOM 614 CA SER B 20 15.945 -7.104 -2.178 1.00 0.00 C ATOM 615 C SER B 20 16.709 -6.075 -1.343 1.00 0.00 C ATOM 616 O SER B 20 16.130 -5.390 -0.502 1.00 0.00 O ATOM 617 CB SER B 20 15.476 -6.460 -3.480 1.00 0.00 C ATOM 618 OG SER B 20 14.742 -5.282 -3.182 1.00 0.00 O ATOM 0 H SER B 20 13.910 -7.200 -1.662 1.00 0.00 H new ATOM 0 HA SER B 20 16.612 -7.935 -2.408 1.00 0.00 H new ATOM 0 HB2 SER B 20 16.333 -6.219 -4.109 1.00 0.00 H new ATOM 0 HB3 SER B 20 14.854 -7.158 -4.041 1.00 0.00 H new ATOM 0 HG SER B 20 14.576 -4.782 -4.008 1.00 0.00 H new ATOM 625 N LYS C 1 18.008 -5.969 -1.591 1.00 0.00 N ATOM 626 CA LYS C 1 18.844 -5.017 -0.868 1.00 0.00 C ATOM 627 C LYS C 1 18.593 -3.605 -1.375 1.00 0.00 C ATOM 628 O LYS C 1 19.360 -2.685 -1.093 1.00 0.00 O ATOM 629 CB LYS C 1 20.321 -5.375 -1.044 1.00 0.00 C ATOM 630 CG LYS C 1 20.605 -6.713 -0.361 1.00 0.00 C ATOM 631 CD LYS C 1 22.071 -7.092 -0.567 1.00 0.00 C ATOM 632 CE LYS C 1 22.350 -8.437 0.106 1.00 0.00 C ATOM 633 NZ LYS C 1 23.774 -8.818 -0.117 1.00 0.00 N ATOM 0 H3 LYS C 1 17.910 -6.840 -1.031 1.00 0.00 H new ATOM 0 HA LYS C 1 18.589 -5.064 0.191 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.568 -5.436 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS C 1 20.949 -4.595 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS C 1 20.383 -6.644 0.704 1.00 0.00 H new ATOM 0 HG3 LYS C 1 19.957 -7.487 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.296 -7.153 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS C 1 22.719 -6.322 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS C 1 22.143 -8.371 1.174 1.00 0.00 H new ATOM 0 HE3 LYS C 1 21.689 -9.203 -0.300 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 23.964 -9.732 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 23.957 -8.897 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 24.396 -8.091 0.291 1.00 0.00 H new ATOM 647 N ASN C 2 17.533 -3.452 -2.152 1.00 0.00 N ATOM 648 CA ASN C 2 17.209 -2.155 -2.730 1.00 0.00 C ATOM 649 C ASN C 2 16.927 -1.122 -1.633 1.00 0.00 C ATOM 650 O ASN C 2 16.415 -1.463 -0.567 1.00 0.00 O ATOM 651 CB ASN C 2 15.972 -2.271 -3.624 1.00 0.00 C ATOM 652 CG ASN C 2 16.250 -3.213 -4.781 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.314 -4.036 -5.163 1.00 0.00 O flip ATOM 654 ND2 ASN C 2 17.341 -3.202 -5.347 1.00 0.00 N flip ATOM 0 H ASN C 2 16.886 -4.202 -2.396 1.00 0.00 H new ATOM 0 HA ASN C 2 18.067 -1.829 -3.319 1.00 0.00 H new ATOM 0 HB2 ASN C 2 15.126 -2.637 -3.042 1.00 0.00 H new ATOM 0 HB3 ASN C 2 15.695 -1.288 -4.004 1.00 0.00 H new ATOM 0 HD21 ASN C 2 18.068 -2.555 -5.041 1.00 0.00 H new ATOM 0 HD22 ASN C 2 17.520 -3.840 -6.122 1.00 0.00 H new ATOM 661 N PRO C 3 17.236 0.129 -1.878 1.00 0.00 N ATOM 662 CA PRO C 3 16.987 1.230 -0.890 1.00 0.00 C ATOM 663 C PRO C 3 15.492 1.449 -0.645 1.00 0.00 C ATOM 664 O PRO C 3 15.092 2.031 0.363 1.00 0.00 O ATOM 665 CB PRO C 3 17.638 2.465 -1.551 1.00 0.00 C ATOM 666 CG PRO C 3 17.683 2.150 -3.014 1.00 0.00 C ATOM 667 CD PRO C 3 17.861 0.640 -3.113 1.00 0.00 C ATOM 0 HA PRO C 3 17.400 1.008 0.094 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.056 3.366 -1.360 1.00 0.00 H new ATOM 0 HB3 PRO C 3 18.638 2.642 -1.155 1.00 0.00 H new ATOM 0 HG2 PRO C 3 16.766 2.468 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO C 3 18.506 2.673 -3.501 1.00 0.00 H new ATOM 0 HD2 PRO C 3 17.376 0.238 -4.002 1.00 0.00 H new ATOM 0 HD3 PRO C 3 18.914 0.365 -3.172 1.00 0.00 H new ATOM 675 N GLU C 4 14.676 0.972 -1.575 1.00 0.00 N ATOM 676 CA GLU C 4 13.231 1.116 -1.463 1.00 0.00 C ATOM 677 C GLU C 4 12.707 0.333 -0.263 1.00 0.00 C ATOM 678 O GLU C 4 11.553 0.494 0.140 1.00 0.00 O ATOM 679 CB GLU C 4 12.544 0.625 -2.738 1.00 0.00 C ATOM 680 CG GLU C 4 12.911 1.548 -3.903 1.00 0.00 C ATOM 681 CD GLU C 4 12.263 1.046 -5.187 1.00 0.00 C ATOM 682 OE1 GLU C 4 12.441 1.691 -6.209 1.00 0.00 O ATOM 683 OE2 GLU C 4 11.597 0.026 -5.133 1.00 0.00 O ATOM 0 H GLU C 4 14.989 0.483 -2.414 1.00 0.00 H new ATOM 0 HA GLU C 4 13.005 2.173 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU C 4 12.851 -0.397 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU C 4 11.463 0.610 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU C 4 12.579 2.564 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU C 4 13.994 1.584 -4.022 1.00 0.00 H new ATOM 690 N ALA C 5 13.563 -0.519 0.297 1.00 0.00 N ATOM 691 CA ALA C 5 13.175 -1.342 1.435 1.00 0.00 C ATOM 692 C ALA C 5 12.658 -0.462 2.568 1.00 0.00 C ATOM 693 O ALA C 5 11.814 -0.885 3.356 1.00 0.00 O ATOM 694 CB ALA C 5 14.381 -2.153 1.922 1.00 0.00 C ATOM 0 H ALA C 5 14.524 -0.656 -0.018 1.00 0.00 H new ATOM 0 HA ALA C 5 12.382 -2.022 1.124 1.00 0.00 H new ATOM 0 HB1 ALA C 5 14.087 -2.767 2.773 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.737 -2.796 1.117 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.179 -1.474 2.223 1.00 0.00 H new ATOM 700 N GLU C 6 13.147 0.769 2.629 1.00 0.00 N ATOM 701 CA GLU C 6 12.698 1.701 3.656 1.00 0.00 C ATOM 702 C GLU C 6 11.202 1.976 3.498 1.00 0.00 C ATOM 703 O GLU C 6 10.469 2.088 4.480 1.00 0.00 O ATOM 704 CB GLU C 6 13.480 3.012 3.539 1.00 0.00 C ATOM 705 CG GLU C 6 14.929 2.781 3.965 1.00 0.00 C ATOM 706 CD GLU C 6 15.747 4.048 3.742 1.00 0.00 C ATOM 707 OE1 GLU C 6 16.904 4.060 4.134 1.00 0.00 O ATOM 708 OE2 GLU C 6 15.208 4.988 3.182 1.00 0.00 O ATOM 0 H GLU C 6 13.847 1.143 1.988 1.00 0.00 H new ATOM 0 HA GLU C 6 12.875 1.261 4.637 1.00 0.00 H new ATOM 0 HB2 GLU C 6 13.445 3.378 2.513 1.00 0.00 H new ATOM 0 HB3 GLU C 6 13.023 3.778 4.166 1.00 0.00 H new ATOM 0 HG2 GLU C 6 14.966 2.495 5.016 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.357 1.957 3.395 1.00 0.00 H new ATOM 715 N GLU C 7 10.756 2.082 2.246 1.00 0.00 N ATOM 716 CA GLU C 7 9.346 2.345 1.967 1.00 0.00 C ATOM 717 C GLU C 7 8.492 1.160 2.408 1.00 0.00 C ATOM 718 O GLU C 7 7.397 1.331 2.942 1.00 0.00 O ATOM 719 CB GLU C 7 9.138 2.602 0.472 1.00 0.00 C ATOM 720 CG GLU C 7 7.699 3.069 0.229 1.00 0.00 C ATOM 721 CD GLU C 7 7.476 4.433 0.884 1.00 0.00 C ATOM 722 OE1 GLU C 7 6.798 4.484 1.900 1.00 0.00 O ATOM 723 OE2 GLU C 7 7.987 5.409 0.359 1.00 0.00 O ATOM 0 H GLU C 7 11.344 1.991 1.418 1.00 0.00 H new ATOM 0 HA GLU C 7 9.043 3.231 2.525 1.00 0.00 H new ATOM 0 HB2 GLU C 7 9.841 3.357 0.121 1.00 0.00 H new ATOM 0 HB3 GLU C 7 9.337 1.693 -0.095 1.00 0.00 H new ATOM 0 HG2 GLU C 7 7.505 3.134 -0.842 1.00 0.00 H new ATOM 0 HG3 GLU C 7 6.998 2.341 0.637 1.00 0.00 H new ATOM 730 N ILE C 8 9.002 -0.042 2.190 1.00 0.00 N ATOM 731 CA ILE C 8 8.277 -1.251 2.579 1.00 0.00 C ATOM 732 C ILE C 8 8.050 -1.257 4.090 1.00 0.00 C ATOM 733 O ILE C 8 6.969 -1.611 4.559 1.00 0.00 O ATOM 734 CB ILE C 8 9.061 -2.506 2.145 1.00 0.00 C ATOM 735 CG1 ILE C 8 8.825 -2.787 0.649 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.623 -3.722 2.972 1.00 0.00 C ATOM 737 CD1 ILE C 8 9.413 -1.660 -0.198 1.00 0.00 C ATOM 0 H ILE C 8 9.907 -0.211 1.750 1.00 0.00 H new ATOM 0 HA ILE C 8 7.308 -1.261 2.079 1.00 0.00 H new ATOM 0 HB ILE C 8 10.123 -2.325 2.314 1.00 0.00 H new ATOM 0 HG12 ILE C 8 9.284 -3.737 0.373 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.757 -2.880 0.453 1.00 0.00 H new ATOM 0 HG21 ILE C 8 9.185 -4.600 2.654 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.814 -3.532 4.028 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.558 -3.899 2.822 1.00 0.00 H new ATOM 0 HD11 ILE C 8 9.240 -1.870 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.934 -0.717 0.068 1.00 0.00 H new ATOM 0 HD13 ILE C 8 10.485 -1.587 -0.013 1.00 0.00 H new ATOM 749 N THR C 9 9.068 -0.867 4.838 1.00 0.00 N ATOM 750 CA THR C 9 8.953 -0.840 6.287 1.00 0.00 C ATOM 751 C THR C 9 7.827 0.109 6.697 1.00 0.00 C ATOM 752 O THR C 9 7.014 -0.203 7.568 1.00 0.00 O ATOM 753 CB THR C 9 10.278 -0.379 6.898 1.00 0.00 C ATOM 754 OG1 THR C 9 11.305 -1.298 6.554 1.00 0.00 O ATOM 755 CG2 THR C 9 10.144 -0.306 8.417 1.00 0.00 C ATOM 0 H THR C 9 9.972 -0.568 4.473 1.00 0.00 H new ATOM 0 HA THR C 9 8.722 -1.841 6.652 1.00 0.00 H new ATOM 0 HB THR C 9 10.531 0.608 6.511 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.504 -1.223 5.597 1.00 0.00 H new ATOM 0 HG21 THR C 9 11.089 0.022 8.850 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.359 0.403 8.679 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.889 -1.291 8.808 1.00 0.00 H new ATOM 763 N ARG C 10 7.774 1.262 6.042 1.00 0.00 N ATOM 764 CA ARG C 10 6.727 2.243 6.318 1.00 0.00 C ATOM 765 C ARG C 10 5.360 1.660 5.980 1.00 0.00 C ATOM 766 O ARG C 10 4.381 1.889 6.689 1.00 0.00 O ATOM 767 CB ARG C 10 6.974 3.508 5.499 1.00 0.00 C ATOM 768 CG ARG C 10 8.177 4.263 6.069 1.00 0.00 C ATOM 769 CD ARG C 10 8.642 5.311 5.061 1.00 0.00 C ATOM 770 NE ARG C 10 7.508 6.101 4.592 1.00 0.00 N ATOM 771 CZ ARG C 10 7.047 7.132 5.290 1.00 0.00 C ATOM 772 NH1 ARG C 10 6.036 7.821 4.841 1.00 0.00 N ATOM 773 NH2 ARG C 10 7.605 7.451 6.426 1.00 0.00 N ATOM 0 H ARG C 10 8.438 1.542 5.320 1.00 0.00 H new ATOM 0 HA ARG C 10 6.748 2.496 7.378 1.00 0.00 H new ATOM 0 HB2 ARG C 10 7.156 3.248 4.456 1.00 0.00 H new ATOM 0 HB3 ARG C 10 6.090 4.145 5.519 1.00 0.00 H new ATOM 0 HG2 ARG C 10 7.907 4.742 7.010 1.00 0.00 H new ATOM 0 HG3 ARG C 10 8.987 3.567 6.287 1.00 0.00 H new ATOM 0 HD2 ARG C 10 9.383 5.964 5.521 1.00 0.00 H new ATOM 0 HD3 ARG C 10 9.128 4.823 4.216 1.00 0.00 H new ATOM 0 HE ARG C 10 7.060 5.856 3.709 1.00 0.00 H new ATOM 0 HH11 ARG C 10 5.600 7.568 3.954 1.00 0.00 H new ATOM 0 HH12 ARG C 10 5.681 8.613 5.376 1.00 0.00 H new ATOM 0 HH21 ARG C 10 8.394 6.908 6.777 1.00 0.00 H new ATOM 0 HH22 ARG C 10 7.252 8.243 6.963 1.00 0.00 H new ATOM 787 N CYS C 11 5.302 0.901 4.889 1.00 0.00 N ATOM 788 CA CYS C 11 4.051 0.285 4.463 1.00 0.00 C ATOM 789 C CYS C 11 3.454 -0.549 5.592 1.00 0.00 C ATOM 790 O CYS C 11 2.260 -0.459 5.879 1.00 0.00 O ATOM 791 CB CYS C 11 4.299 -0.607 3.244 1.00 0.00 C ATOM 792 SG CYS C 11 2.736 -0.886 2.376 1.00 0.00 S ATOM 0 H CYS C 11 6.101 0.699 4.288 1.00 0.00 H new ATOM 0 HA CYS C 11 3.348 1.075 4.199 1.00 0.00 H new ATOM 0 HB2 CYS C 11 5.020 -0.136 2.576 1.00 0.00 H new ATOM 0 HB3 CYS C 11 4.729 -1.558 3.557 1.00 0.00 H new ATOM 0 HG CYS C 11 2.944 -1.642 1.339 1.00 0.00 H new ATOM 797 N LYS C 12 4.293 -1.359 6.228 1.00 0.00 N ATOM 798 CA LYS C 12 3.833 -2.203 7.322 1.00 0.00 C ATOM 799 C LYS C 12 3.306 -1.345 8.468 1.00 0.00 C ATOM 800 O LYS C 12 2.283 -1.661 9.072 1.00 0.00 O ATOM 801 CB LYS C 12 4.981 -3.083 7.821 1.00 0.00 C ATOM 802 CG LYS C 12 5.332 -4.120 6.752 1.00 0.00 C ATOM 803 CD LYS C 12 6.477 -5.003 7.251 1.00 0.00 C ATOM 804 CE LYS C 12 6.855 -6.012 6.165 1.00 0.00 C ATOM 805 NZ LYS C 12 5.688 -6.892 5.877 1.00 0.00 N ATOM 0 H LYS C 12 5.285 -1.448 6.007 1.00 0.00 H new ATOM 0 HA LYS C 12 3.026 -2.838 6.957 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.853 -2.469 8.047 1.00 0.00 H new ATOM 0 HB3 LYS C 12 4.695 -3.582 8.747 1.00 0.00 H new ATOM 0 HG2 LYS C 12 4.459 -4.732 6.525 1.00 0.00 H new ATOM 0 HG3 LYS C 12 5.621 -3.621 5.827 1.00 0.00 H new ATOM 0 HD2 LYS C 12 7.340 -4.388 7.507 1.00 0.00 H new ATOM 0 HD3 LYS C 12 6.178 -5.526 8.159 1.00 0.00 H new ATOM 0 HE2 LYS C 12 7.162 -5.489 5.259 1.00 0.00 H new ATOM 0 HE3 LYS C 12 7.705 -6.612 6.491 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 6.016 -7.764 5.415 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 5.206 -7.132 6.767 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 5.026 -6.395 5.248 1.00 0.00 H new ATOM 819 N LYS C 13 4.009 -0.260 8.757 1.00 0.00 N ATOM 820 CA LYS C 13 3.596 0.636 9.831 1.00 0.00 C ATOM 821 C LYS C 13 2.258 1.282 9.496 1.00 0.00 C ATOM 822 O LYS C 13 1.396 1.430 10.361 1.00 0.00 O ATOM 823 CB LYS C 13 4.658 1.717 10.039 1.00 0.00 C ATOM 824 CG LYS C 13 5.976 1.080 10.497 1.00 0.00 C ATOM 825 CD LYS C 13 5.806 0.427 11.877 1.00 0.00 C ATOM 826 CE LYS C 13 7.175 0.198 12.508 1.00 0.00 C ATOM 827 NZ LYS C 13 7.990 -0.671 11.614 1.00 0.00 N ATOM 0 H LYS C 13 4.860 0.021 8.270 1.00 0.00 H new ATOM 0 HA LYS C 13 3.485 0.058 10.749 1.00 0.00 H new ATOM 0 HB2 LYS C 13 4.814 2.267 9.111 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.315 2.436 10.783 1.00 0.00 H new ATOM 0 HG2 LYS C 13 6.297 0.333 9.771 1.00 0.00 H new ATOM 0 HG3 LYS C 13 6.758 1.838 10.541 1.00 0.00 H new ATOM 0 HD2 LYS C 13 5.200 1.065 12.520 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.277 -0.521 11.779 1.00 0.00 H new ATOM 0 HE2 LYS C 13 7.679 1.151 12.666 1.00 0.00 H new ATOM 0 HE3 LYS C 13 7.064 -0.270 13.486 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 8.782 -1.077 12.152 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 7.396 -1.438 11.240 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 8.362 -0.105 10.825 1.00 0.00 H new ATOM 841 N LEU C 14 2.092 1.666 8.240 1.00 0.00 N ATOM 842 CA LEU C 14 0.850 2.294 7.804 1.00 0.00 C ATOM 843 C LEU C 14 -0.322 1.335 7.949 1.00 0.00 C ATOM 844 O LEU C 14 -1.401 1.723 8.394 1.00 0.00 O ATOM 845 CB LEU C 14 0.982 2.730 6.343 1.00 0.00 C ATOM 846 CG LEU C 14 1.950 3.919 6.241 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.306 4.164 4.771 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.299 5.192 6.825 1.00 0.00 C ATOM 0 H LEU C 14 2.794 1.556 7.508 1.00 0.00 H new ATOM 0 HA LEU C 14 0.662 3.164 8.433 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.346 1.900 5.737 1.00 0.00 H new ATOM 0 HB3 LEU C 14 0.005 3.009 5.947 1.00 0.00 H new ATOM 0 HG LEU C 14 2.852 3.687 6.808 1.00 0.00 H new ATOM 0 HD11 LEU C 14 2.993 5.007 4.699 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.780 3.274 4.358 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.399 4.386 4.209 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.996 6.026 6.746 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.391 5.424 6.269 1.00 0.00 H new ATOM 0 HD23 LEU C 14 1.050 5.025 7.873 1.00 0.00 H new ATOM 860 N LEU C 15 -0.101 0.083 7.574 1.00 0.00 N ATOM 861 CA LEU C 15 -1.144 -0.931 7.667 1.00 0.00 C ATOM 862 C LEU C 15 -1.523 -1.181 9.122 1.00 0.00 C ATOM 863 O LEU C 15 -2.692 -1.356 9.452 1.00 0.00 O ATOM 864 CB LEU C 15 -0.665 -2.228 7.017 1.00 0.00 C ATOM 865 CG LEU C 15 -0.540 -2.024 5.499 1.00 0.00 C ATOM 866 CD1 LEU C 15 0.172 -3.229 4.881 1.00 0.00 C ATOM 867 CD2 LEU C 15 -1.937 -1.857 4.852 1.00 0.00 C ATOM 0 H LEU C 15 0.787 -0.255 7.204 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.028 -0.572 7.140 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.297 -2.523 7.436 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -1.366 -3.035 7.230 1.00 0.00 H new ATOM 0 HG LEU C 15 0.038 -1.118 5.314 1.00 0.00 H new ATOM 0 HD11 LEU C 15 0.261 -3.086 3.804 1.00 0.00 H new ATOM 0 HD12 LEU C 15 1.166 -3.328 5.318 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -0.403 -4.133 5.080 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -1.825 -1.714 3.777 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -2.534 -2.750 5.039 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.437 -0.990 5.284 1.00 0.00 H new ATOM 879 N ASP C 16 -0.521 -1.198 9.987 1.00 0.00 N ATOM 880 CA ASP C 16 -0.751 -1.432 11.408 1.00 0.00 C ATOM 881 C ASP C 16 -1.619 -0.324 11.997 1.00 0.00 C ATOM 882 O ASP C 16 -2.457 -0.569 12.868 1.00 0.00 O ATOM 883 CB ASP C 16 0.586 -1.492 12.148 1.00 0.00 C ATOM 884 CG ASP C 16 1.322 -2.780 11.792 1.00 0.00 C ATOM 885 OD1 ASP C 16 2.508 -2.856 12.066 1.00 0.00 O ATOM 886 OD2 ASP C 16 0.688 -3.673 11.253 1.00 0.00 O ATOM 0 H ASP C 16 0.456 -1.053 9.734 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.271 -2.383 11.525 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.197 -0.629 11.883 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.418 -1.445 13.224 1.00 0.00 H new ATOM 891 N ASP C 17 -1.410 0.892 11.516 1.00 0.00 N ATOM 892 CA ASP C 17 -2.165 2.045 11.991 1.00 0.00 C ATOM 893 C ASP C 17 -3.643 1.889 11.649 1.00 0.00 C ATOM 894 O ASP C 17 -4.479 2.676 12.093 1.00 0.00 O ATOM 895 CB ASP C 17 -1.624 3.333 11.370 1.00 0.00 C ATOM 896 CG ASP C 17 -0.250 3.653 11.951 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.426 4.500 11.394 1.00 0.00 O ATOM 898 OD2 ASP C 17 0.107 3.040 12.944 1.00 0.00 O ATOM 0 H ASP C 17 -0.722 1.108 10.795 1.00 0.00 H new ATOM 0 HA ASP C 17 -2.055 2.102 13.074 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.554 3.224 10.288 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.311 4.157 11.564 1.00 0.00 H new ATOM 903 N SER C 18 -3.958 0.882 10.844 1.00 0.00 N ATOM 904 CA SER C 18 -5.337 0.656 10.434 1.00 0.00 C ATOM 905 C SER C 18 -6.231 0.470 11.646 1.00 0.00 C ATOM 906 O SER C 18 -7.400 0.847 11.632 1.00 0.00 O ATOM 907 CB SER C 18 -5.413 -0.594 9.553 1.00 0.00 C ATOM 908 OG SER C 18 -5.051 -1.733 10.324 1.00 0.00 O ATOM 0 H SER C 18 -3.285 0.215 10.466 1.00 0.00 H new ATOM 0 HA SER C 18 -5.679 1.526 9.874 1.00 0.00 H new ATOM 0 HB2 SER C 18 -6.422 -0.714 9.157 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.745 -0.492 8.698 1.00 0.00 H new ATOM 0 HG SER C 18 -4.074 -1.806 10.360 1.00 0.00 H new ATOM 914 N SER C 19 -5.673 -0.102 12.695 1.00 0.00 N ATOM 915 CA SER C 19 -6.427 -0.324 13.934 1.00 0.00 C ATOM 916 C SER C 19 -6.302 0.871 14.870 1.00 0.00 C ATOM 917 O SER C 19 -7.043 0.996 15.843 1.00 0.00 O ATOM 918 CB SER C 19 -5.927 -1.582 14.643 1.00 0.00 C ATOM 919 OG SER C 19 -6.177 -2.714 13.822 1.00 0.00 O ATOM 0 H SER C 19 -4.705 -0.423 12.724 1.00 0.00 H new ATOM 0 HA SER C 19 -7.476 -0.452 13.668 1.00 0.00 H new ATOM 0 HB2 SER C 19 -4.860 -1.497 14.850 1.00 0.00 H new ATOM 0 HB3 SER C 19 -6.430 -1.697 15.603 1.00 0.00 H new ATOM 0 HG SER C 19 -5.856 -3.523 14.273 1.00 0.00 H new ATOM 925 N SER C 20 -5.363 1.747 14.557 1.00 0.00 N ATOM 926 CA SER C 20 -5.134 2.946 15.364 1.00 0.00 C ATOM 927 C SER C 20 -6.133 4.044 15.010 1.00 0.00 C ATOM 928 O SER C 20 -6.597 4.137 13.874 1.00 0.00 O ATOM 929 CB SER C 20 -3.712 3.465 15.156 1.00 0.00 C ATOM 930 OG SER C 20 -3.589 3.984 13.842 1.00 0.00 O ATOM 0 H SER C 20 -4.744 1.656 13.751 1.00 0.00 H new ATOM 0 HA SER C 20 -5.270 2.673 16.410 1.00 0.00 H new ATOM 0 HB2 SER C 20 -3.485 4.240 15.888 1.00 0.00 H new ATOM 0 HB3 SER C 20 -2.993 2.660 15.310 1.00 0.00 H new ATOM 0 HG SER C 20 -2.718 4.423 13.744 1.00 0.00 H new