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: B 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C 1 LYS N :NH3+ -160:sc= -0.0354 (180deg=-0.399) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 1 LYS N :NH3+ -162:sc= -0.0625 (180deg=-0.386) USER MOD Set 3.1: A 1 LYS N :NH3+ -161:sc= -0.0458 (180deg=-0.373) USER MOD Set 3.2: C 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS NZ :NH3+ 164:sc= -0.0383 (180deg=-0.38) USER MOD Single : A 2 ASN : amide:sc= -3! C(o=-3!,f=-9.9!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -162:sc= 0.0695 (180deg=-0.293) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -0.0307 (180deg=-0.557) USER MOD Single : A 18 SER OG : rot -72:sc= 0.977 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS NZ :NH3+ 162:sc= -0.0558 (180deg=-0.513) USER MOD Single : B 2 ASN : amide:sc= -3.35! C(o=-3.4!,f=-11!) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 CYS SG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ -163:sc= 0.0739 (180deg=-0.284) USER MOD Single : B 13 LYS NZ :NH3+ 161:sc= -0.0411 (180deg=-0.516) USER MOD Single : B 18 SER OG : rot -108:sc= 1.07 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : C 1 LYS NZ :NH3+ 161:sc= -0.0623 (180deg=-0.47) USER MOD Single : C 2 ASN : amide:sc= -3.3! C(o=-3.3!,f=-10!) USER MOD Single : C 9 THR OG1 : rot 180:sc= 0 USER MOD Single : C 11 CYS SG : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ -163:sc= 0.0829 (180deg=-0.245) USER MOD Single : C 13 LYS NZ :NH3+ 161:sc= -0.0697 (180deg=-0.529) USER MOD Single : C 18 SER OG : rot -79:sc= 1.08 USER MOD Single : C 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.321 5.340 16.021 1.00 0.00 N ATOM 2 CA LYS A 1 -8.383 6.282 15.690 1.00 0.00 C ATOM 3 C LYS A 1 -7.832 7.453 14.891 1.00 0.00 C ATOM 4 O LYS A 1 -8.509 8.466 14.701 1.00 0.00 O ATOM 5 CB LYS A 1 -9.048 6.796 16.969 1.00 0.00 C ATOM 6 CG LYS A 1 -9.820 5.657 17.637 1.00 0.00 C ATOM 7 CD LYS A 1 -10.479 6.170 18.920 1.00 0.00 C ATOM 8 CE LYS A 1 -11.315 5.054 19.548 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.421 3.938 19.967 1.00 0.00 N ATOM 0 H3 LYS A 1 -7.738 4.420 16.270 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.125 5.763 15.083 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.294 7.187 17.652 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.723 7.619 16.735 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.578 5.269 16.956 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.146 4.832 17.867 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.717 6.507 19.623 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.110 7.030 18.698 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.864 5.437 20.408 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.054 4.693 18.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.930 3.313 20.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.128 3.395 19.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.580 4.326 20.440 1.00 0.00 H new ATOM 23 N ASN A 2 -6.594 7.315 14.437 1.00 0.00 N ATOM 24 CA ASN A 2 -5.955 8.374 13.676 1.00 0.00 C ATOM 25 C ASN A 2 -6.728 8.661 12.386 1.00 0.00 C ATOM 26 O ASN A 2 -7.351 7.767 11.813 1.00 0.00 O ATOM 27 CB ASN A 2 -4.514 7.975 13.327 1.00 0.00 C ATOM 28 CG ASN A 2 -4.507 6.642 12.591 1.00 0.00 C ATOM 29 OD1 ASN A 2 -5.434 5.848 12.742 1.00 0.00 O ATOM 30 ND2 ASN A 2 -3.517 6.351 11.791 1.00 0.00 N ATOM 0 H ASN A 2 -6.018 6.486 14.582 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.948 9.275 14.289 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.055 8.745 12.707 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.918 7.901 14.237 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.511 5.463 11.289 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.750 7.012 11.668 1.00 0.00 H new ATOM 37 N PRO A 3 -6.687 9.882 11.916 1.00 0.00 N ATOM 38 CA PRO A 3 -7.390 10.288 10.658 1.00 0.00 C ATOM 39 C PRO A 3 -6.820 9.573 9.431 1.00 0.00 C ATOM 40 O PRO A 3 -7.478 9.458 8.399 1.00 0.00 O ATOM 41 CB PRO A 3 -7.155 11.809 10.585 1.00 0.00 C ATOM 42 CG PRO A 3 -5.946 12.061 11.429 1.00 0.00 C ATOM 43 CD PRO A 3 -5.980 11.019 12.533 1.00 0.00 C ATOM 0 HA PRO A 3 -8.447 10.024 10.668 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.992 12.133 9.557 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.018 12.359 10.960 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.034 11.974 10.839 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.963 13.069 11.843 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.976 10.741 12.853 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.505 11.386 13.415 1.00 0.00 H new ATOM 51 N GLU A 4 -5.594 9.092 9.553 1.00 0.00 N ATOM 52 CA GLU A 4 -4.946 8.393 8.452 1.00 0.00 C ATOM 53 C GLU A 4 -5.687 7.094 8.143 1.00 0.00 C ATOM 54 O GLU A 4 -5.448 6.459 7.115 1.00 0.00 O ATOM 55 CB GLU A 4 -3.490 8.087 8.805 1.00 0.00 C ATOM 56 CG GLU A 4 -2.729 9.397 9.022 1.00 0.00 C ATOM 57 CD GLU A 4 -2.653 10.181 7.716 1.00 0.00 C ATOM 58 OE1 GLU A 4 -2.815 9.571 6.673 1.00 0.00 O ATOM 59 OE2 GLU A 4 -2.442 11.380 7.779 1.00 0.00 O ATOM 0 H GLU A 4 -5.028 9.171 10.398 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.971 9.034 7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.444 7.475 9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.024 7.512 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.228 9.994 9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.724 9.187 9.388 1.00 0.00 H new ATOM 66 N ALA A 5 -6.582 6.701 9.045 1.00 0.00 N ATOM 67 CA ALA A 5 -7.341 5.468 8.868 1.00 0.00 C ATOM 68 C ALA A 5 -8.135 5.521 7.566 1.00 0.00 C ATOM 69 O ALA A 5 -8.259 4.515 6.865 1.00 0.00 O ATOM 70 CB ALA A 5 -8.301 5.273 10.043 1.00 0.00 C ATOM 0 H ALA A 5 -6.798 7.214 9.900 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.643 4.631 8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.864 4.350 9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.733 5.214 10.971 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.991 6.115 10.093 1.00 0.00 H new ATOM 76 N GLU A 6 -8.653 6.700 7.232 1.00 0.00 N ATOM 77 CA GLU A 6 -9.410 6.863 5.996 1.00 0.00 C ATOM 78 C GLU A 6 -8.529 6.556 4.789 1.00 0.00 C ATOM 79 O GLU A 6 -8.983 5.965 3.809 1.00 0.00 O ATOM 80 CB GLU A 6 -9.947 8.294 5.902 1.00 0.00 C ATOM 81 CG GLU A 6 -11.115 8.464 6.873 1.00 0.00 C ATOM 82 CD GLU A 6 -10.626 8.403 8.312 1.00 0.00 C ATOM 83 OE1 GLU A 6 -11.196 7.647 9.079 1.00 0.00 O ATOM 84 OE2 GLU A 6 -9.709 9.129 8.633 1.00 0.00 O ATOM 0 H GLU A 6 -8.564 7.547 7.793 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.247 6.165 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.157 9.007 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.273 8.505 4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.610 9.418 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.855 7.682 6.701 1.00 0.00 H new ATOM 91 N GLU A 7 -7.266 6.953 4.870 1.00 0.00 N ATOM 92 CA GLU A 7 -6.330 6.704 3.783 1.00 0.00 C ATOM 93 C GLU A 7 -6.143 5.202 3.587 1.00 0.00 C ATOM 94 O GLU A 7 -6.019 4.720 2.462 1.00 0.00 O ATOM 95 CB GLU A 7 -4.980 7.364 4.084 1.00 0.00 C ATOM 96 CG GLU A 7 -4.015 7.120 2.919 1.00 0.00 C ATOM 97 CD GLU A 7 -4.565 7.757 1.647 1.00 0.00 C ATOM 98 OE1 GLU A 7 -4.204 7.299 0.576 1.00 0.00 O ATOM 99 OE2 GLU A 7 -5.341 8.693 1.765 1.00 0.00 O ATOM 0 H GLU A 7 -6.869 7.445 5.670 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.735 7.134 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.114 8.434 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.563 6.958 5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.036 7.539 3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.876 6.049 2.769 1.00 0.00 H new ATOM 106 N ILE A 8 -6.113 4.470 4.689 1.00 0.00 N ATOM 107 CA ILE A 8 -5.924 3.022 4.625 1.00 0.00 C ATOM 108 C ILE A 8 -7.080 2.385 3.862 1.00 0.00 C ATOM 109 O ILE A 8 -6.870 1.480 3.056 1.00 0.00 O ATOM 110 CB ILE A 8 -5.861 2.438 6.042 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.765 3.165 6.842 1.00 0.00 C ATOM 112 CG2 ILE A 8 -5.542 0.929 5.977 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.429 3.114 6.093 1.00 0.00 C ATOM 0 H ILE A 8 -6.216 4.846 5.632 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.988 2.810 4.108 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.825 2.575 6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.056 4.202 7.008 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.656 2.703 7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.499 0.522 6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.321 0.416 5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.580 0.781 5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.666 3.633 6.674 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.132 2.075 5.950 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.537 3.598 5.122 1.00 0.00 H new ATOM 125 N THR A 9 -8.290 2.853 4.122 1.00 0.00 N ATOM 126 CA THR A 9 -9.465 2.309 3.453 1.00 0.00 C ATOM 127 C THR A 9 -9.342 2.504 1.942 1.00 0.00 C ATOM 128 O THR A 9 -9.646 1.602 1.163 1.00 0.00 O ATOM 129 CB THR A 9 -10.724 3.011 3.961 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.870 2.766 5.353 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.945 2.477 3.215 1.00 0.00 C ATOM 0 H THR A 9 -8.486 3.602 4.786 1.00 0.00 H new ATOM 0 HA THR A 9 -9.535 1.243 3.672 1.00 0.00 H new ATOM 0 HB THR A 9 -10.638 4.084 3.787 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.676 3.217 5.682 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.842 2.979 3.579 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.831 2.666 2.148 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.035 1.404 3.386 1.00 0.00 H new ATOM 139 N ARG A 10 -8.879 3.682 1.538 1.00 0.00 N ATOM 140 CA ARG A 10 -8.700 3.975 0.120 1.00 0.00 C ATOM 141 C ARG A 10 -7.661 3.036 -0.489 1.00 0.00 C ATOM 142 O ARG A 10 -7.833 2.538 -1.602 1.00 0.00 O ATOM 143 CB ARG A 10 -8.262 5.427 -0.066 1.00 0.00 C ATOM 144 CG ARG A 10 -8.133 5.733 -1.558 1.00 0.00 C ATOM 145 CD ARG A 10 -7.926 7.235 -1.755 1.00 0.00 C ATOM 146 NE ARG A 10 -6.649 7.657 -1.193 1.00 0.00 N ATOM 147 CZ ARG A 10 -6.292 8.937 -1.188 1.00 0.00 C ATOM 148 NH1 ARG A 10 -5.143 9.292 -0.684 1.00 0.00 N ATOM 149 NH2 ARG A 10 -7.090 9.841 -1.690 1.00 0.00 N ATOM 0 H ARG A 10 -8.623 4.444 2.166 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.652 3.823 -0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.988 6.099 0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.309 5.598 0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.294 5.181 -1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.029 5.406 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.959 7.475 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.738 7.785 -1.279 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.019 6.959 -0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.518 8.587 -0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.869 10.275 -0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.988 9.565 -2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.815 10.823 -1.686 1.00 0.00 H new ATOM 163 N CYS A 11 -6.583 2.796 0.251 1.00 0.00 N ATOM 164 CA CYS A 11 -5.526 1.909 -0.222 1.00 0.00 C ATOM 165 C CYS A 11 -6.109 0.542 -0.563 1.00 0.00 C ATOM 166 O CYS A 11 -5.791 -0.042 -1.600 1.00 0.00 O ATOM 167 CB CYS A 11 -4.454 1.760 0.857 1.00 0.00 C ATOM 168 SG CYS A 11 -3.034 0.861 0.175 1.00 0.00 S ATOM 0 H CYS A 11 -6.419 3.200 1.173 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.076 2.337 -1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.141 2.742 1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.859 1.225 1.716 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.120 0.735 1.091 1.00 0.00 H new ATOM 173 N LYS A 12 -6.974 0.046 0.313 1.00 0.00 N ATOM 174 CA LYS A 12 -7.612 -1.248 0.099 1.00 0.00 C ATOM 175 C LYS A 12 -8.456 -1.220 -1.173 1.00 0.00 C ATOM 176 O LYS A 12 -8.451 -2.170 -1.954 1.00 0.00 O ATOM 177 CB LYS A 12 -8.493 -1.603 1.298 1.00 0.00 C ATOM 178 CG LYS A 12 -9.084 -3.000 1.100 1.00 0.00 C ATOM 179 CD LYS A 12 -9.891 -3.392 2.339 1.00 0.00 C ATOM 180 CE LYS A 12 -10.456 -4.801 2.155 1.00 0.00 C ATOM 181 NZ LYS A 12 -11.448 -4.797 1.044 1.00 0.00 N ATOM 0 H LYS A 12 -7.249 0.517 1.175 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.835 -2.005 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.906 -1.571 2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.293 -0.870 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.723 -3.015 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.287 -3.723 0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.257 -3.356 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.702 -2.681 2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.650 -5.502 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.929 -5.138 3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.046 -5.645 1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.044 -3.947 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.948 -4.796 0.132 1.00 0.00 H new ATOM 195 N LYS A 13 -9.177 -0.123 -1.372 1.00 0.00 N ATOM 196 CA LYS A 13 -10.022 0.024 -2.552 1.00 0.00 C ATOM 197 C LYS A 13 -9.173 -0.040 -3.819 1.00 0.00 C ATOM 198 O LYS A 13 -9.571 -0.644 -4.814 1.00 0.00 O ATOM 199 CB LYS A 13 -10.770 1.357 -2.502 1.00 0.00 C ATOM 200 CG LYS A 13 -11.709 1.463 -3.708 1.00 0.00 C ATOM 201 CD LYS A 13 -12.475 2.784 -3.643 1.00 0.00 C ATOM 202 CE LYS A 13 -13.380 2.909 -4.871 1.00 0.00 C ATOM 203 NZ LYS A 13 -14.374 1.799 -4.870 1.00 0.00 N ATOM 0 H LYS A 13 -9.194 0.674 -0.736 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.745 -0.792 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.340 1.431 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.060 2.184 -2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.137 1.407 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.407 0.626 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.072 2.826 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.777 3.620 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.893 3.871 -4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.782 2.875 -5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.171 2.046 -5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.922 0.928 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.724 1.647 -3.902 1.00 0.00 H new ATOM 217 N LEU A 14 -8.005 0.587 -3.777 1.00 0.00 N ATOM 218 CA LEU A 14 -7.119 0.593 -4.935 1.00 0.00 C ATOM 219 C LEU A 14 -6.692 -0.824 -5.286 1.00 0.00 C ATOM 220 O LEU A 14 -6.641 -1.187 -6.462 1.00 0.00 O ATOM 221 CB LEU A 14 -5.881 1.445 -4.620 1.00 0.00 C ATOM 222 CG LEU A 14 -6.226 2.941 -4.756 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.249 3.777 -3.920 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.100 3.361 -6.231 1.00 0.00 C ATOM 0 H LEU A 14 -7.651 1.092 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.651 1.016 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.531 1.234 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.069 1.187 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.245 3.106 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.497 4.834 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.323 3.484 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.232 3.608 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.344 4.419 -6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.079 3.190 -6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.788 2.772 -6.837 1.00 0.00 H new ATOM 236 N LEU A 15 -6.387 -1.616 -4.269 1.00 0.00 N ATOM 237 CA LEU A 15 -5.972 -2.994 -4.498 1.00 0.00 C ATOM 238 C LEU A 15 -7.111 -3.800 -5.113 1.00 0.00 C ATOM 239 O LEU A 15 -6.905 -4.582 -6.038 1.00 0.00 O ATOM 240 CB LEU A 15 -5.558 -3.627 -3.169 1.00 0.00 C ATOM 241 CG LEU A 15 -4.293 -2.933 -2.645 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.003 -3.413 -1.221 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.091 -3.256 -3.552 1.00 0.00 C ATOM 0 H LEU A 15 -6.418 -1.334 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.129 -2.997 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.365 -3.533 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.372 -4.693 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.454 -1.855 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.105 -2.921 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.846 -3.168 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.851 -4.492 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.201 -2.757 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.925 -4.333 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.295 -2.907 -4.564 1.00 0.00 H new ATOM 255 N ASP A 16 -8.319 -3.588 -4.600 1.00 0.00 N ATOM 256 CA ASP A 16 -9.493 -4.288 -5.113 1.00 0.00 C ATOM 257 C ASP A 16 -9.764 -3.893 -6.562 1.00 0.00 C ATOM 258 O ASP A 16 -10.151 -4.722 -7.385 1.00 0.00 O ATOM 259 CB ASP A 16 -10.714 -3.972 -4.252 1.00 0.00 C ATOM 260 CG ASP A 16 -10.592 -4.664 -2.898 1.00 0.00 C ATOM 261 OD1 ASP A 16 -9.730 -5.518 -2.766 1.00 0.00 O ATOM 262 OD2 ASP A 16 -11.366 -4.333 -2.015 1.00 0.00 O ATOM 0 H ASP A 16 -8.511 -2.942 -3.835 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.297 -5.360 -5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.801 -2.895 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.621 -4.302 -4.758 1.00 0.00 H new ATOM 267 N ASP A 17 -9.561 -2.617 -6.862 1.00 0.00 N ATOM 268 CA ASP A 17 -9.790 -2.104 -8.207 1.00 0.00 C ATOM 269 C ASP A 17 -8.806 -2.731 -9.187 1.00 0.00 C ATOM 270 O ASP A 17 -8.935 -2.568 -10.399 1.00 0.00 O ATOM 271 CB ASP A 17 -9.644 -0.581 -8.227 1.00 0.00 C ATOM 272 CG ASP A 17 -10.824 0.066 -7.508 1.00 0.00 C ATOM 273 OD1 ASP A 17 -11.798 -0.629 -7.264 1.00 0.00 O ATOM 274 OD2 ASP A 17 -10.736 1.245 -7.211 1.00 0.00 O ATOM 0 H ASP A 17 -9.238 -1.918 -6.193 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.804 -2.366 -8.508 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.710 -0.291 -7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.595 -0.226 -9.256 1.00 0.00 H new ATOM 279 N SER A 18 -7.813 -3.433 -8.654 1.00 0.00 N ATOM 280 CA SER A 18 -6.803 -4.062 -9.493 1.00 0.00 C ATOM 281 C SER A 18 -7.444 -5.044 -10.461 1.00 0.00 C ATOM 282 O SER A 18 -6.872 -5.375 -11.499 1.00 0.00 O ATOM 283 CB SER A 18 -5.788 -4.798 -8.618 1.00 0.00 C ATOM 284 OG SER A 18 -6.426 -5.900 -7.985 1.00 0.00 O ATOM 0 H SER A 18 -7.687 -3.580 -7.653 1.00 0.00 H new ATOM 0 HA SER A 18 -6.298 -3.284 -10.066 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.952 -5.146 -9.225 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.378 -4.121 -7.869 1.00 0.00 H new ATOM 0 HG SER A 18 -7.036 -5.571 -7.292 1.00 0.00 H new ATOM 290 N SER A 19 -8.635 -5.496 -10.118 1.00 0.00 N ATOM 291 CA SER A 19 -9.366 -6.436 -10.969 1.00 0.00 C ATOM 292 C SER A 19 -10.069 -5.705 -12.108 1.00 0.00 C ATOM 293 O SER A 19 -10.464 -6.311 -13.103 1.00 0.00 O ATOM 294 CB SER A 19 -10.394 -7.211 -10.145 1.00 0.00 C ATOM 295 OG SER A 19 -11.049 -8.157 -10.981 1.00 0.00 O ATOM 0 H SER A 19 -9.122 -5.233 -9.261 1.00 0.00 H new ATOM 0 HA SER A 19 -8.645 -7.135 -11.394 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.903 -7.720 -9.315 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.122 -6.525 -9.712 1.00 0.00 H new ATOM 0 HG SER A 19 -11.708 -8.657 -10.455 1.00 0.00 H new ATOM 301 N SER A 20 -10.216 -4.402 -11.950 1.00 0.00 N ATOM 302 CA SER A 20 -10.871 -3.581 -12.967 1.00 0.00 C ATOM 303 C SER A 20 -9.919 -3.299 -14.124 1.00 0.00 C ATOM 304 O SER A 20 -8.703 -3.251 -13.942 1.00 0.00 O ATOM 305 CB SER A 20 -11.342 -2.258 -12.359 1.00 0.00 C ATOM 306 OG SER A 20 -12.101 -1.542 -13.325 1.00 0.00 O ATOM 0 H SER A 20 -9.894 -3.885 -11.132 1.00 0.00 H new ATOM 0 HA SER A 20 -11.733 -4.131 -13.344 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.946 -2.447 -11.472 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.485 -1.665 -12.041 1.00 0.00 H new ATOM 0 HG SER A 20 -12.406 -0.695 -12.939 1.00 0.00 H new ATOM 313 N LYS B 1 -10.480 -3.112 -15.314 1.00 0.00 N ATOM 314 CA LYS B 1 -9.672 -2.835 -16.495 1.00 0.00 C ATOM 315 C LYS B 1 -9.130 -1.413 -16.449 1.00 0.00 C ATOM 316 O LYS B 1 -8.605 -0.905 -17.440 1.00 0.00 O ATOM 317 CB LYS B 1 -10.508 -3.026 -17.762 1.00 0.00 C ATOM 318 CG LYS B 1 -10.848 -4.509 -17.932 1.00 0.00 C ATOM 319 CD LYS B 1 -11.677 -4.700 -19.203 1.00 0.00 C ATOM 320 CE LYS B 1 -11.957 -6.190 -19.409 1.00 0.00 C ATOM 321 NZ LYS B 1 -12.763 -6.707 -18.267 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.587 -4.140 -15.200 1.00 0.00 H new ATOM 0 HA LYS B 1 -8.834 -3.532 -16.509 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.423 -2.437 -17.699 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -9.957 -2.666 -18.631 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -9.933 -5.098 -17.990 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -11.404 -4.867 -17.065 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -12.615 -4.150 -19.125 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -11.142 -4.297 -20.063 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -12.493 -6.344 -20.345 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -11.019 -6.740 -19.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -13.208 -7.608 -18.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -12.144 -6.859 -17.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -13.501 -6.016 -18.022 1.00 0.00 H new ATOM 335 N ASN B 2 -9.273 -0.774 -15.295 1.00 0.00 N ATOM 336 CA ASN B 2 -8.808 0.592 -15.137 1.00 0.00 C ATOM 337 C ASN B 2 -7.296 0.681 -15.358 1.00 0.00 C ATOM 338 O ASN B 2 -6.562 -0.265 -15.077 1.00 0.00 O ATOM 339 CB ASN B 2 -9.147 1.103 -13.728 1.00 0.00 C ATOM 340 CG ASN B 2 -8.578 0.158 -12.681 1.00 0.00 C ATOM 341 OD1 ASN B 2 -8.380 -1.023 -12.958 1.00 0.00 O ATOM 342 ND2 ASN B 2 -8.292 0.610 -11.490 1.00 0.00 N ATOM 0 H ASN B 2 -9.704 -1.178 -14.463 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.310 1.210 -15.882 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -8.738 2.104 -13.587 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -10.228 1.181 -13.611 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -7.903 -0.018 -10.786 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -8.458 1.591 -11.263 1.00 0.00 H new ATOM 349 N PRO B 3 -6.821 1.801 -15.844 1.00 0.00 N ATOM 350 CA PRO B 3 -5.363 2.016 -16.098 1.00 0.00 C ATOM 351 C PRO B 3 -4.546 1.982 -14.805 1.00 0.00 C ATOM 352 O PRO B 3 -3.341 1.745 -14.822 1.00 0.00 O ATOM 353 CB PRO B 3 -5.310 3.407 -16.761 1.00 0.00 C ATOM 354 CG PRO B 3 -6.579 4.084 -16.352 1.00 0.00 C ATOM 355 CD PRO B 3 -7.617 2.985 -16.215 1.00 0.00 C ATOM 0 HA PRO B 3 -4.930 1.233 -16.720 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -4.438 3.970 -16.427 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.240 3.324 -17.846 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.450 4.618 -15.410 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.886 4.819 -17.096 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.357 3.226 -15.452 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -8.160 2.827 -17.147 1.00 0.00 H new ATOM 363 N GLU B 4 -5.212 2.223 -13.688 1.00 0.00 N ATOM 364 CA GLU B 4 -4.540 2.222 -12.394 1.00 0.00 C ATOM 365 C GLU B 4 -4.014 0.825 -12.074 1.00 0.00 C ATOM 366 O GLU B 4 -3.219 0.646 -11.150 1.00 0.00 O ATOM 367 CB GLU B 4 -5.506 2.674 -11.298 1.00 0.00 C ATOM 368 CG GLU B 4 -5.953 4.113 -11.573 1.00 0.00 C ATOM 369 CD GLU B 4 -4.763 5.061 -11.468 1.00 0.00 C ATOM 370 OE1 GLU B 4 -3.795 4.695 -10.824 1.00 0.00 O ATOM 371 OE2 GLU B 4 -4.832 6.133 -12.046 1.00 0.00 O ATOM 0 H GLU B 4 -6.212 2.421 -13.648 1.00 0.00 H new ATOM 0 HA GLU B 4 -3.701 2.916 -12.438 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.372 2.013 -11.266 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.022 2.612 -10.323 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.395 4.181 -12.567 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -6.724 4.405 -10.860 1.00 0.00 H new ATOM 378 N ALA B 5 -4.464 -0.161 -12.843 1.00 0.00 N ATOM 379 CA ALA B 5 -4.044 -1.540 -12.625 1.00 0.00 C ATOM 380 C ALA B 5 -2.526 -1.650 -12.734 1.00 0.00 C ATOM 381 O ALA B 5 -1.895 -2.397 -11.986 1.00 0.00 O ATOM 382 CB ALA B 5 -4.696 -2.454 -13.664 1.00 0.00 C ATOM 0 H ALA B 5 -5.115 -0.032 -13.618 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.355 -1.846 -11.626 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.377 -3.483 -13.495 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -5.781 -2.391 -13.575 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.395 -2.141 -14.664 1.00 0.00 H new ATOM 388 N GLU B 6 -1.938 -0.889 -13.651 1.00 0.00 N ATOM 389 CA GLU B 6 -0.489 -0.901 -13.821 1.00 0.00 C ATOM 390 C GLU B 6 0.201 -0.435 -12.544 1.00 0.00 C ATOM 391 O GLU B 6 1.253 -0.956 -12.166 1.00 0.00 O ATOM 392 CB GLU B 6 -0.096 0.007 -14.991 1.00 0.00 C ATOM 393 CG GLU B 6 -0.451 -0.681 -16.311 1.00 0.00 C ATOM 394 CD GLU B 6 -1.960 -0.760 -16.481 1.00 0.00 C ATOM 395 OE1 GLU B 6 -2.454 -1.851 -16.707 1.00 0.00 O ATOM 396 OE2 GLU B 6 -2.597 0.271 -16.409 1.00 0.00 O ATOM 0 H GLU B 6 -2.436 -0.262 -14.282 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.169 -1.921 -14.035 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -0.616 0.962 -14.915 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.972 0.222 -14.956 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.014 -0.131 -17.144 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -0.024 -1.684 -16.332 1.00 0.00 H new ATOM 403 N GLU B 7 -0.399 0.540 -11.876 1.00 0.00 N ATOM 404 CA GLU B 7 0.163 1.057 -10.636 1.00 0.00 C ATOM 405 C GLU B 7 0.176 -0.036 -9.572 1.00 0.00 C ATOM 406 O GLU B 7 1.111 -0.138 -8.779 1.00 0.00 O ATOM 407 CB GLU B 7 -0.656 2.255 -10.144 1.00 0.00 C ATOM 408 CG GLU B 7 -0.030 2.814 -8.861 1.00 0.00 C ATOM 409 CD GLU B 7 1.382 3.313 -9.148 1.00 0.00 C ATOM 410 OE1 GLU B 7 2.171 3.358 -8.219 1.00 0.00 O ATOM 411 OE2 GLU B 7 1.653 3.636 -10.294 1.00 0.00 O ATOM 0 H GLU B 7 -1.268 0.986 -12.169 1.00 0.00 H new ATOM 0 HA GLU B 7 1.186 1.382 -10.824 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.687 3.028 -10.912 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -1.686 1.952 -9.956 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.641 3.629 -8.473 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.003 2.041 -8.092 1.00 0.00 H new ATOM 418 N ILE B 8 -0.874 -0.845 -9.554 1.00 0.00 N ATOM 419 CA ILE B 8 -0.978 -1.919 -8.568 1.00 0.00 C ATOM 420 C ILE B 8 0.172 -2.902 -8.755 1.00 0.00 C ATOM 421 O ILE B 8 0.759 -3.367 -7.779 1.00 0.00 O ATOM 422 CB ILE B 8 -2.313 -2.657 -8.736 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.467 -1.640 -8.669 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.481 -3.704 -7.613 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.374 -0.806 -7.384 1.00 0.00 C ATOM 0 H ILE B 8 -1.659 -0.782 -10.202 1.00 0.00 H new ATOM 0 HA ILE B 8 -0.929 -1.488 -7.568 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.326 -3.165 -9.700 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -3.432 -0.984 -9.539 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -4.423 -2.163 -8.702 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.431 -4.224 -7.739 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.664 -4.424 -7.662 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.467 -3.204 -6.644 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.197 -0.092 -7.353 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -3.432 -1.465 -6.518 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -2.426 -0.268 -7.367 1.00 0.00 H new ATOM 437 N THR B 9 0.487 -3.213 -10.002 1.00 0.00 N ATOM 438 CA THR B 9 1.568 -4.149 -10.290 1.00 0.00 C ATOM 439 C THR B 9 2.884 -3.610 -9.731 1.00 0.00 C ATOM 440 O THR B 9 3.667 -4.350 -9.136 1.00 0.00 O ATOM 441 CB THR B 9 1.696 -4.341 -11.801 1.00 0.00 C ATOM 442 OG1 THR B 9 0.492 -4.897 -12.310 1.00 0.00 O ATOM 443 CG2 THR B 9 2.862 -5.284 -12.101 1.00 0.00 C ATOM 0 H THR B 9 0.017 -2.837 -10.825 1.00 0.00 H new ATOM 0 HA THR B 9 1.343 -5.107 -9.821 1.00 0.00 H new ATOM 0 HB THR B 9 1.881 -3.377 -12.275 1.00 0.00 H new ATOM 0 HG1 THR B 9 0.572 -5.019 -13.279 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.952 -5.420 -13.179 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.786 -4.856 -11.711 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.681 -6.249 -11.628 1.00 0.00 H new ATOM 451 N ARG B 10 3.115 -2.314 -9.911 1.00 0.00 N ATOM 452 CA ARG B 10 4.332 -1.688 -9.401 1.00 0.00 C ATOM 453 C ARG B 10 4.382 -1.786 -7.878 1.00 0.00 C ATOM 454 O ARG B 10 5.427 -2.079 -7.297 1.00 0.00 O ATOM 455 CB ARG B 10 4.388 -0.223 -9.835 1.00 0.00 C ATOM 456 CG ARG B 10 5.687 0.408 -9.333 1.00 0.00 C ATOM 457 CD ARG B 10 5.862 1.790 -9.964 1.00 0.00 C ATOM 458 NE ARG B 10 4.816 2.698 -9.507 1.00 0.00 N ATOM 459 CZ ARG B 10 4.733 3.937 -9.981 1.00 0.00 C ATOM 460 NH1 ARG B 10 3.791 4.735 -9.559 1.00 0.00 N ATOM 461 NH2 ARG B 10 5.596 4.360 -10.865 1.00 0.00 N ATOM 0 H ARG B 10 2.483 -1.681 -10.401 1.00 0.00 H new ATOM 0 HA ARG B 10 5.194 -2.213 -9.812 1.00 0.00 H new ATOM 0 HB2 ARG B 10 4.333 -0.152 -10.921 1.00 0.00 H new ATOM 0 HB3 ARG B 10 3.530 0.319 -9.436 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.666 0.493 -8.247 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.534 -0.229 -9.587 1.00 0.00 H new ATOM 0 HD2 ARG B 10 6.841 2.193 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG B 10 5.830 1.707 -11.050 1.00 0.00 H new ATOM 0 HE ARG B 10 4.139 2.378 -8.814 1.00 0.00 H new ATOM 0 HH11 ARG B 10 3.118 4.408 -8.865 1.00 0.00 H new ATOM 0 HH12 ARG B 10 3.727 5.686 -9.923 1.00 0.00 H new ATOM 0 HH21 ARG B 10 6.336 3.739 -11.193 1.00 0.00 H new ATOM 0 HH22 ARG B 10 5.530 5.311 -11.227 1.00 0.00 H new ATOM 475 N CYS B 11 3.241 -1.547 -7.238 1.00 0.00 N ATOM 476 CA CYS B 11 3.162 -1.624 -5.783 1.00 0.00 C ATOM 477 C CYS B 11 3.632 -2.994 -5.300 1.00 0.00 C ATOM 478 O CYS B 11 4.386 -3.099 -4.333 1.00 0.00 O ATOM 479 CB CYS B 11 1.723 -1.383 -5.331 1.00 0.00 C ATOM 480 SG CYS B 11 1.682 -1.226 -3.526 1.00 0.00 S ATOM 0 H CYS B 11 2.365 -1.300 -7.699 1.00 0.00 H new ATOM 0 HA CYS B 11 3.809 -0.859 -5.354 1.00 0.00 H new ATOM 0 HB2 CYS B 11 1.330 -0.478 -5.795 1.00 0.00 H new ATOM 0 HB3 CYS B 11 1.086 -2.208 -5.651 1.00 0.00 H new ATOM 0 HG CYS B 11 0.459 -1.019 -3.136 1.00 0.00 H new ATOM 485 N LYS B 12 3.190 -4.040 -5.991 1.00 0.00 N ATOM 486 CA LYS B 12 3.583 -5.401 -5.638 1.00 0.00 C ATOM 487 C LYS B 12 5.094 -5.569 -5.776 1.00 0.00 C ATOM 488 O LYS B 12 5.740 -6.198 -4.940 1.00 0.00 O ATOM 489 CB LYS B 12 2.863 -6.406 -6.537 1.00 0.00 C ATOM 490 CG LYS B 12 3.218 -7.828 -6.099 1.00 0.00 C ATOM 491 CD LYS B 12 2.424 -8.832 -6.935 1.00 0.00 C ATOM 492 CE LYS B 12 2.756 -10.253 -6.477 1.00 0.00 C ATOM 493 NZ LYS B 12 4.185 -10.551 -6.775 1.00 0.00 N ATOM 0 H LYS B 12 2.564 -3.973 -6.793 1.00 0.00 H new ATOM 0 HA LYS B 12 3.302 -5.587 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.785 -6.255 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.151 -6.252 -7.577 1.00 0.00 H new ATOM 0 HG2 LYS B 12 4.287 -8.001 -6.222 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.993 -7.961 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.355 -8.645 -6.829 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.665 -8.713 -7.991 1.00 0.00 H new ATOM 0 HE2 LYS B 12 2.568 -10.355 -5.408 1.00 0.00 H new ATOM 0 HE3 LYS B 12 2.111 -10.970 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 4.340 -11.579 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 4.422 -10.199 -7.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 4.791 -10.084 -6.071 1.00 0.00 H new ATOM 507 N LYS B 13 5.649 -4.999 -6.840 1.00 0.00 N ATOM 508 CA LYS B 13 7.085 -5.083 -7.085 1.00 0.00 C ATOM 509 C LYS B 13 7.854 -4.424 -5.944 1.00 0.00 C ATOM 510 O LYS B 13 8.895 -4.920 -5.514 1.00 0.00 O ATOM 511 CB LYS B 13 7.437 -4.404 -8.409 1.00 0.00 C ATOM 512 CG LYS B 13 8.933 -4.574 -8.690 1.00 0.00 C ATOM 513 CD LYS B 13 9.277 -3.924 -10.029 1.00 0.00 C ATOM 514 CE LYS B 13 10.778 -4.058 -10.289 1.00 0.00 C ATOM 515 NZ LYS B 13 11.142 -5.500 -10.381 1.00 0.00 N ATOM 0 H LYS B 13 5.129 -4.476 -7.544 1.00 0.00 H new ATOM 0 HA LYS B 13 7.366 -6.135 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.852 -4.839 -9.220 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.183 -3.345 -8.365 1.00 0.00 H new ATOM 0 HG2 LYS B 13 9.518 -4.118 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS B 13 9.192 -5.633 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.714 -4.400 -10.832 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.991 -2.872 -10.019 1.00 0.00 H new ATOM 0 HE2 LYS B 13 11.044 -3.545 -11.213 1.00 0.00 H new ATOM 0 HE3 LYS B 13 11.340 -3.581 -9.486 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 12.058 -5.597 -10.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 11.211 -5.902 -9.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 10.412 -6.009 -10.919 1.00 0.00 H new ATOM 529 N LEU B 14 7.341 -3.300 -5.461 1.00 0.00 N ATOM 530 CA LEU B 14 7.997 -2.585 -4.372 1.00 0.00 C ATOM 531 C LEU B 14 8.053 -3.448 -3.123 1.00 0.00 C ATOM 532 O LEU B 14 9.069 -3.477 -2.428 1.00 0.00 O ATOM 533 CB LEU B 14 7.223 -1.291 -4.078 1.00 0.00 C ATOM 534 CG LEU B 14 7.582 -0.218 -5.125 1.00 0.00 C ATOM 535 CD1 LEU B 14 6.448 0.809 -5.227 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.869 0.507 -4.693 1.00 0.00 C ATOM 0 H LEU B 14 6.482 -2.867 -5.801 1.00 0.00 H new ATOM 0 HA LEU B 14 9.018 -2.345 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.151 -1.486 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.464 -0.931 -3.078 1.00 0.00 H new ATOM 0 HG LEU B 14 7.729 -0.699 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.707 1.565 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.528 0.307 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.301 1.286 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU B 14 9.125 1.266 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.712 0.982 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.684 -0.213 -4.616 1.00 0.00 H new ATOM 548 N LEU B 15 6.962 -4.145 -2.841 1.00 0.00 N ATOM 549 CA LEU B 15 6.912 -5.007 -1.668 1.00 0.00 C ATOM 550 C LEU B 15 7.915 -6.151 -1.801 1.00 0.00 C ATOM 551 O LEU B 15 8.610 -6.497 -0.850 1.00 0.00 O ATOM 552 CB LEU B 15 5.503 -5.583 -1.519 1.00 0.00 C ATOM 553 CG LEU B 15 4.519 -4.451 -1.199 1.00 0.00 C ATOM 554 CD1 LEU B 15 3.086 -4.988 -1.259 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.797 -3.879 0.203 1.00 0.00 C ATOM 0 H LEU B 15 6.109 -4.132 -3.400 1.00 0.00 H new ATOM 0 HA LEU B 15 7.167 -4.416 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.206 -6.088 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.486 -6.329 -0.725 1.00 0.00 H new ATOM 0 HG LEU B 15 4.645 -3.656 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.386 -4.184 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.883 -5.374 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.967 -5.789 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.090 -3.077 0.415 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.684 -4.668 0.947 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.813 -3.487 0.241 1.00 0.00 H new ATOM 567 N ASP B 16 7.990 -6.723 -2.999 1.00 0.00 N ATOM 568 CA ASP B 16 8.916 -7.821 -3.258 1.00 0.00 C ATOM 569 C ASP B 16 10.362 -7.348 -3.124 1.00 0.00 C ATOM 570 O ASP B 16 11.224 -8.072 -2.628 1.00 0.00 O ATOM 571 CB ASP B 16 8.680 -8.392 -4.654 1.00 0.00 C ATOM 572 CG ASP B 16 7.362 -9.160 -4.686 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.835 -9.440 -3.621 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.896 -9.451 -5.774 1.00 0.00 O ATOM 0 H ASP B 16 7.424 -6.447 -3.802 1.00 0.00 H new ATOM 0 HA ASP B 16 8.737 -8.603 -2.520 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.659 -7.586 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.502 -9.052 -4.930 1.00 0.00 H new ATOM 579 N ASP B 17 10.616 -6.129 -3.579 1.00 0.00 N ATOM 580 CA ASP B 17 11.956 -5.555 -3.521 1.00 0.00 C ATOM 581 C ASP B 17 12.376 -5.344 -2.072 1.00 0.00 C ATOM 582 O ASP B 17 13.530 -5.023 -1.792 1.00 0.00 O ATOM 583 CB ASP B 17 11.998 -4.226 -4.275 1.00 0.00 C ATOM 584 CG ASP B 17 11.887 -4.475 -5.777 1.00 0.00 C ATOM 585 OD1 ASP B 17 12.065 -5.611 -6.184 1.00 0.00 O ATOM 586 OD2 ASP B 17 11.621 -3.526 -6.496 1.00 0.00 O ATOM 0 H ASP B 17 9.913 -5.517 -3.993 1.00 0.00 H new ATOM 0 HA ASP B 17 12.651 -6.249 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP B 17 11.182 -3.584 -3.943 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.927 -3.701 -4.053 1.00 0.00 H new ATOM 591 N SER B 18 11.428 -5.505 -1.155 1.00 0.00 N ATOM 592 CA SER B 18 11.709 -5.310 0.260 1.00 0.00 C ATOM 593 C SER B 18 12.804 -6.258 0.726 1.00 0.00 C ATOM 594 O SER B 18 13.472 -6.009 1.729 1.00 0.00 O ATOM 595 CB SER B 18 10.443 -5.555 1.080 1.00 0.00 C ATOM 596 OG SER B 18 10.090 -6.930 1.000 1.00 0.00 O ATOM 0 H SER B 18 10.465 -5.768 -1.365 1.00 0.00 H new ATOM 0 HA SER B 18 12.047 -4.284 0.404 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.608 -5.270 2.119 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.628 -4.936 0.705 1.00 0.00 H new ATOM 0 HG SER B 18 9.294 -7.031 0.438 1.00 0.00 H new ATOM 602 N SER B 19 12.988 -7.336 -0.014 1.00 0.00 N ATOM 603 CA SER B 19 14.017 -8.320 0.319 1.00 0.00 C ATOM 604 C SER B 19 15.387 -7.859 -0.165 1.00 0.00 C ATOM 605 O SER B 19 16.419 -8.362 0.278 1.00 0.00 O ATOM 606 CB SER B 19 13.681 -9.673 -0.309 1.00 0.00 C ATOM 607 OG SER B 19 14.667 -10.626 0.070 1.00 0.00 O ATOM 0 H SER B 19 12.444 -7.557 -0.848 1.00 0.00 H new ATOM 0 HA SER B 19 14.045 -8.423 1.404 1.00 0.00 H new ATOM 0 HB2 SER B 19 12.695 -10.003 0.018 1.00 0.00 H new ATOM 0 HB3 SER B 19 13.644 -9.584 -1.395 1.00 0.00 H new ATOM 0 HG SER B 19 14.453 -11.495 -0.330 1.00 0.00 H new ATOM 613 N SER B 20 15.384 -6.900 -1.072 1.00 0.00 N ATOM 614 CA SER B 20 16.628 -6.364 -1.621 1.00 0.00 C ATOM 615 C SER B 20 17.267 -5.380 -0.644 1.00 0.00 C ATOM 616 O SER B 20 16.575 -4.733 0.140 1.00 0.00 O ATOM 617 CB SER B 20 16.364 -5.663 -2.954 1.00 0.00 C ATOM 618 OG SER B 20 17.604 -5.295 -3.545 1.00 0.00 O ATOM 0 H SER B 20 14.538 -6.473 -1.448 1.00 0.00 H new ATOM 0 HA SER B 20 17.312 -7.197 -1.784 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.811 -6.323 -3.622 1.00 0.00 H new ATOM 0 HB3 SER B 20 15.746 -4.779 -2.797 1.00 0.00 H new ATOM 0 HG SER B 20 17.438 -4.847 -4.401 1.00 0.00 H new ATOM 625 N LYS C 1 18.589 -5.275 -0.699 1.00 0.00 N ATOM 626 CA LYS C 1 19.314 -4.370 0.186 1.00 0.00 C ATOM 627 C LYS C 1 19.114 -2.925 -0.247 1.00 0.00 C ATOM 628 O LYS C 1 19.805 -2.021 0.227 1.00 0.00 O ATOM 629 CB LYS C 1 20.805 -4.710 0.180 1.00 0.00 C ATOM 630 CG LYS C 1 21.021 -6.070 0.849 1.00 0.00 C ATOM 631 CD LYS C 1 22.513 -6.410 0.840 1.00 0.00 C ATOM 632 CE LYS C 1 22.736 -7.748 1.549 1.00 0.00 C ATOM 633 NZ LYS C 1 22.048 -8.831 0.793 1.00 0.00 N ATOM 0 H3 LYS C 1 18.448 -6.188 -0.222 1.00 0.00 H new ATOM 0 HA LYS C 1 18.923 -4.491 1.196 1.00 0.00 H new ATOM 0 HB2 LYS C 1 21.180 -4.733 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS C 1 21.367 -3.940 0.708 1.00 0.00 H new ATOM 0 HG2 LYS C 1 20.648 -6.047 1.873 1.00 0.00 H new ATOM 0 HG3 LYS C 1 20.458 -6.840 0.322 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.878 -6.464 -0.186 1.00 0.00 H new ATOM 0 HD3 LYS C 1 23.079 -5.623 1.339 1.00 0.00 H new ATOM 0 HE2 LYS C 1 23.803 -7.961 1.620 1.00 0.00 H new ATOM 0 HE3 LYS C 1 22.352 -7.700 2.568 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 22.446 -9.752 1.066 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 21.031 -8.815 1.012 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 22.185 -8.683 -0.227 1.00 0.00 H new ATOM 647 N ASN C 2 18.169 -2.714 -1.154 1.00 0.00 N ATOM 648 CA ASN C 2 17.897 -1.377 -1.652 1.00 0.00 C ATOM 649 C ASN C 2 17.441 -0.457 -0.516 1.00 0.00 C ATOM 650 O ASN C 2 16.819 -0.906 0.446 1.00 0.00 O ATOM 651 CB ASN C 2 16.808 -1.430 -2.733 1.00 0.00 C ATOM 652 CG ASN C 2 15.570 -2.129 -2.191 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.670 -2.943 -1.275 1.00 0.00 O ATOM 654 ND2 ASN C 2 14.398 -1.851 -2.696 1.00 0.00 N ATOM 0 H ASN C 2 17.584 -3.446 -1.556 1.00 0.00 H new ATOM 0 HA ASN C 2 18.817 -0.979 -2.079 1.00 0.00 H new ATOM 0 HB2 ASN C 2 16.554 -0.420 -3.055 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.180 -1.960 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN C 2 13.563 -2.310 -2.330 1.00 0.00 H new ATOM 0 HD22 ASN C 2 14.317 -1.175 -3.456 1.00 0.00 H new ATOM 661 N PRO C 3 17.727 0.816 -0.618 1.00 0.00 N ATOM 662 CA PRO C 3 17.330 1.819 0.419 1.00 0.00 C ATOM 663 C PRO C 3 15.811 1.957 0.528 1.00 0.00 C ATOM 664 O PRO C 3 15.286 2.406 1.543 1.00 0.00 O ATOM 665 CB PRO C 3 17.982 3.126 -0.070 1.00 0.00 C ATOM 666 CG PRO C 3 18.203 2.929 -1.535 1.00 0.00 C ATOM 667 CD PRO C 3 18.469 1.446 -1.725 1.00 0.00 C ATOM 0 HA PRO C 3 17.655 1.533 1.419 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.336 3.983 0.119 1.00 0.00 H new ATOM 0 HB3 PRO C 3 18.922 3.315 0.448 1.00 0.00 H new ATOM 0 HG2 PRO C 3 17.330 3.245 -2.107 1.00 0.00 H new ATOM 0 HG3 PRO C 3 19.046 3.524 -1.885 1.00 0.00 H new ATOM 0 HD2 PRO C 3 18.115 1.096 -2.695 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.534 1.220 -1.674 1.00 0.00 H new ATOM 675 N GLU C 4 15.113 1.571 -0.524 1.00 0.00 N ATOM 676 CA GLU C 4 13.659 1.655 -0.538 1.00 0.00 C ATOM 677 C GLU C 4 13.067 0.718 0.512 1.00 0.00 C ATOM 678 O GLU C 4 11.878 0.790 0.824 1.00 0.00 O ATOM 679 CB GLU C 4 13.122 1.292 -1.922 1.00 0.00 C ATOM 680 CG GLU C 4 13.649 2.292 -2.954 1.00 0.00 C ATOM 681 CD GLU C 4 13.078 3.679 -2.679 1.00 0.00 C ATOM 682 OE1 GLU C 4 12.075 3.760 -1.990 1.00 0.00 O ATOM 683 OE2 GLU C 4 13.653 4.641 -3.161 1.00 0.00 O ATOM 0 H GLU C 4 15.525 1.197 -1.379 1.00 0.00 H new ATOM 0 HA GLU C 4 13.367 2.679 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.430 0.281 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU C 4 12.032 1.302 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU C 4 14.738 2.325 -2.917 1.00 0.00 H new ATOM 0 HG3 GLU C 4 13.374 1.969 -3.958 1.00 0.00 H new ATOM 690 N ALA C 5 13.904 -0.166 1.046 1.00 0.00 N ATOM 691 CA ALA C 5 13.453 -1.124 2.051 1.00 0.00 C ATOM 692 C ALA C 5 12.882 -0.389 3.260 1.00 0.00 C ATOM 693 O ALA C 5 11.896 -0.826 3.853 1.00 0.00 O ATOM 694 CB ALA C 5 14.621 -2.008 2.491 1.00 0.00 C ATOM 0 H ALA C 5 14.892 -0.239 0.802 1.00 0.00 H new ATOM 0 HA ALA C 5 12.674 -1.749 1.614 1.00 0.00 H new ATOM 0 HB1 ALA C 5 14.276 -2.720 3.241 1.00 0.00 H new ATOM 0 HB2 ALA C 5 15.012 -2.549 1.630 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.408 -1.386 2.917 1.00 0.00 H new ATOM 700 N GLU C 6 13.492 0.740 3.611 1.00 0.00 N ATOM 701 CA GLU C 6 13.012 1.534 4.736 1.00 0.00 C ATOM 702 C GLU C 6 11.589 2.017 4.477 1.00 0.00 C ATOM 703 O GLU C 6 10.763 2.068 5.390 1.00 0.00 O ATOM 704 CB GLU C 6 13.939 2.733 4.959 1.00 0.00 C ATOM 705 CG GLU C 6 15.243 2.256 5.601 1.00 0.00 C ATOM 706 CD GLU C 6 16.050 1.427 4.614 1.00 0.00 C ATOM 707 OE1 GLU C 6 16.449 0.334 4.978 1.00 0.00 O ATOM 708 OE2 GLU C 6 16.281 1.903 3.523 1.00 0.00 O ATOM 0 H GLU C 6 14.311 1.122 3.138 1.00 0.00 H new ATOM 0 HA GLU C 6 13.011 0.910 5.630 1.00 0.00 H new ATOM 0 HB2 GLU C 6 14.148 3.227 4.010 1.00 0.00 H new ATOM 0 HB3 GLU C 6 13.453 3.468 5.600 1.00 0.00 H new ATOM 0 HG2 GLU C 6 15.829 3.114 5.929 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.023 1.663 6.489 1.00 0.00 H new ATOM 715 N GLU C 7 11.305 2.362 3.228 1.00 0.00 N ATOM 716 CA GLU C 7 9.976 2.827 2.862 1.00 0.00 C ATOM 717 C GLU C 7 8.953 1.716 3.079 1.00 0.00 C ATOM 718 O GLU C 7 7.825 1.968 3.502 1.00 0.00 O ATOM 719 CB GLU C 7 9.957 3.277 1.396 1.00 0.00 C ATOM 720 CG GLU C 7 8.562 3.797 1.034 1.00 0.00 C ATOM 721 CD GLU C 7 8.219 5.009 1.894 1.00 0.00 C ATOM 722 OE1 GLU C 7 7.042 5.271 2.071 1.00 0.00 O ATOM 723 OE2 GLU C 7 9.142 5.655 2.367 1.00 0.00 O ATOM 0 H GLU C 7 11.972 2.329 2.457 1.00 0.00 H new ATOM 0 HA GLU C 7 9.716 3.676 3.495 1.00 0.00 H new ATOM 0 HB2 GLU C 7 10.700 4.058 1.236 1.00 0.00 H new ATOM 0 HB3 GLU C 7 10.225 2.444 0.746 1.00 0.00 H new ATOM 0 HG2 GLU C 7 8.528 4.068 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU C 7 7.821 3.012 1.185 1.00 0.00 H new ATOM 730 N ILE C 8 9.350 0.491 2.773 1.00 0.00 N ATOM 731 CA ILE C 8 8.452 -0.652 2.924 1.00 0.00 C ATOM 732 C ILE C 8 8.063 -0.806 4.392 1.00 0.00 C ATOM 733 O ILE C 8 6.907 -1.086 4.704 1.00 0.00 O ATOM 734 CB ILE C 8 9.142 -1.933 2.439 1.00 0.00 C ATOM 735 CG1 ILE C 8 9.646 -1.721 1.000 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.146 -3.113 2.470 1.00 0.00 C ATOM 737 CD1 ILE C 8 8.500 -1.257 0.092 1.00 0.00 C ATOM 0 H ILE C 8 10.279 0.260 2.421 1.00 0.00 H new ATOM 0 HA ILE C 8 7.557 -0.482 2.325 1.00 0.00 H new ATOM 0 HB ILE C 8 9.982 -2.162 3.094 1.00 0.00 H new ATOM 0 HG12 ILE C 8 10.445 -0.980 0.994 1.00 0.00 H new ATOM 0 HG13 ILE C 8 10.069 -2.649 0.616 1.00 0.00 H new ATOM 0 HG21 ILE C 8 8.644 -4.019 2.124 1.00 0.00 H new ATOM 0 HG22 ILE C 8 7.790 -3.262 3.489 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.300 -2.893 1.819 1.00 0.00 H new ATOM 0 HD11 ILE C 8 8.875 -1.112 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE C 8 7.714 -2.012 0.084 1.00 0.00 H new ATOM 0 HD13 ILE C 8 8.096 -0.317 0.467 1.00 0.00 H new ATOM 749 N THR C 9 9.028 -0.630 5.281 1.00 0.00 N ATOM 750 CA THR C 9 8.765 -0.760 6.710 1.00 0.00 C ATOM 751 C THR C 9 7.720 0.267 7.142 1.00 0.00 C ATOM 752 O THR C 9 6.805 -0.046 7.904 1.00 0.00 O ATOM 753 CB THR C 9 10.057 -0.537 7.497 1.00 0.00 C ATOM 754 OG1 THR C 9 11.010 -1.525 7.129 1.00 0.00 O ATOM 755 CG2 THR C 9 9.768 -0.640 8.994 1.00 0.00 C ATOM 0 H THR C 9 9.993 -0.399 5.044 1.00 0.00 H new ATOM 0 HA THR C 9 8.388 -1.763 6.911 1.00 0.00 H new ATOM 0 HB THR C 9 10.453 0.453 7.272 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.839 -1.383 7.631 1.00 0.00 H new ATOM 0 HG21 THR C 9 10.689 -0.481 9.554 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.036 0.117 9.276 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.372 -1.630 9.221 1.00 0.00 H new ATOM 763 N ARG C 10 7.852 1.491 6.640 1.00 0.00 N ATOM 764 CA ARG C 10 6.901 2.548 6.970 1.00 0.00 C ATOM 765 C ARG C 10 5.506 2.179 6.473 1.00 0.00 C ATOM 766 O ARG C 10 4.511 2.380 7.171 1.00 0.00 O ATOM 767 CB ARG C 10 7.351 3.870 6.346 1.00 0.00 C ATOM 768 CG ARG C 10 6.377 4.978 6.748 1.00 0.00 C ATOM 769 CD ARG C 10 6.947 6.334 6.331 1.00 0.00 C ATOM 770 NE ARG C 10 7.031 6.433 4.879 1.00 0.00 N ATOM 771 CZ ARG C 10 7.568 7.500 4.295 1.00 0.00 C ATOM 772 NH1 ARG C 10 7.630 7.569 2.995 1.00 0.00 N ATOM 773 NH2 ARG C 10 8.029 8.480 5.022 1.00 0.00 N ATOM 0 H ARG C 10 8.601 1.774 6.009 1.00 0.00 H new ATOM 0 HA ARG C 10 6.865 2.663 8.053 1.00 0.00 H new ATOM 0 HB2 ARG C 10 8.359 4.118 6.679 1.00 0.00 H new ATOM 0 HB3 ARG C 10 7.388 3.779 5.260 1.00 0.00 H new ATOM 0 HG2 ARG C 10 5.410 4.817 6.273 1.00 0.00 H new ATOM 0 HG3 ARG C 10 6.210 4.957 7.825 1.00 0.00 H new ATOM 0 HD2 ARG C 10 6.317 7.134 6.719 1.00 0.00 H new ATOM 0 HD3 ARG C 10 7.937 6.468 6.768 1.00 0.00 H new ATOM 0 HE ARG C 10 6.672 5.672 4.302 1.00 0.00 H new ATOM 0 HH11 ARG C 10 7.267 6.805 2.426 1.00 0.00 H new ATOM 0 HH12 ARG C 10 8.042 8.387 2.547 1.00 0.00 H new ATOM 0 HH21 ARG C 10 7.978 8.428 6.039 1.00 0.00 H new ATOM 0 HH22 ARG C 10 8.441 9.298 4.573 1.00 0.00 H new ATOM 787 N CYS C 11 5.440 1.630 5.264 1.00 0.00 N ATOM 788 CA CYS C 11 4.164 1.222 4.687 1.00 0.00 C ATOM 789 C CYS C 11 3.449 0.248 5.622 1.00 0.00 C ATOM 790 O CYS C 11 2.246 0.363 5.854 1.00 0.00 O ATOM 791 CB CYS C 11 4.399 0.557 3.332 1.00 0.00 C ATOM 792 SG CYS C 11 2.803 0.288 2.512 1.00 0.00 S ATOM 0 H CYS C 11 6.250 1.458 4.668 1.00 0.00 H new ATOM 0 HA CYS C 11 3.540 2.105 4.553 1.00 0.00 H new ATOM 0 HB2 CYS C 11 5.038 1.185 2.712 1.00 0.00 H new ATOM 0 HB3 CYS C 11 4.917 -0.393 3.465 1.00 0.00 H new ATOM 0 HG CYS C 11 2.998 -0.276 1.357 1.00 0.00 H new ATOM 797 N LYS C 12 4.204 -0.703 6.163 1.00 0.00 N ATOM 798 CA LYS C 12 3.639 -1.686 7.083 1.00 0.00 C ATOM 799 C LYS C 12 3.098 -0.993 8.331 1.00 0.00 C ATOM 800 O LYS C 12 2.029 -1.340 8.834 1.00 0.00 O ATOM 801 CB LYS C 12 4.704 -2.709 7.477 1.00 0.00 C ATOM 802 CG LYS C 12 4.076 -3.781 8.372 1.00 0.00 C ATOM 803 CD LYS C 12 5.119 -4.852 8.693 1.00 0.00 C ATOM 804 CE LYS C 12 4.486 -5.936 9.567 1.00 0.00 C ATOM 805 NZ LYS C 12 4.130 -5.359 10.895 1.00 0.00 N ATOM 0 H LYS C 12 5.202 -0.814 5.983 1.00 0.00 H new ATOM 0 HA LYS C 12 2.819 -2.201 6.582 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.130 -3.169 6.585 1.00 0.00 H new ATOM 0 HB3 LYS C 12 5.521 -2.215 8.002 1.00 0.00 H new ATOM 0 HG2 LYS C 12 3.707 -3.330 9.293 1.00 0.00 H new ATOM 0 HG3 LYS C 12 3.219 -4.231 7.872 1.00 0.00 H new ATOM 0 HD2 LYS C 12 5.501 -5.290 7.771 1.00 0.00 H new ATOM 0 HD3 LYS C 12 5.968 -4.404 9.209 1.00 0.00 H new ATOM 0 HE2 LYS C 12 3.596 -6.335 9.082 1.00 0.00 H new ATOM 0 HE3 LYS C 12 5.180 -6.767 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 3.974 -6.128 11.577 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 4.906 -4.752 11.229 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 3.262 -4.794 10.806 1.00 0.00 H new ATOM 819 N LYS C 13 3.846 -0.011 8.824 1.00 0.00 N ATOM 820 CA LYS C 13 3.435 0.728 10.013 1.00 0.00 C ATOM 821 C LYS C 13 2.111 1.442 9.757 1.00 0.00 C ATOM 822 O LYS C 13 1.245 1.497 10.628 1.00 0.00 O ATOM 823 CB LYS C 13 4.508 1.750 10.395 1.00 0.00 C ATOM 824 CG LYS C 13 4.101 2.463 11.687 1.00 0.00 C ATOM 825 CD LYS C 13 5.185 3.465 12.080 1.00 0.00 C ATOM 826 CE LYS C 13 4.750 4.218 13.339 1.00 0.00 C ATOM 827 NZ LYS C 13 4.576 3.254 14.461 1.00 0.00 N ATOM 0 H LYS C 13 4.734 0.290 8.422 1.00 0.00 H new ATOM 0 HA LYS C 13 3.306 0.023 10.834 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.468 1.251 10.530 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.636 2.476 9.592 1.00 0.00 H new ATOM 0 HG2 LYS C 13 3.150 2.977 11.547 1.00 0.00 H new ATOM 0 HG3 LYS C 13 3.956 1.736 12.486 1.00 0.00 H new ATOM 0 HD2 LYS C 13 6.127 2.946 12.260 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.359 4.167 11.265 1.00 0.00 H new ATOM 0 HE2 LYS C 13 5.496 4.968 13.603 1.00 0.00 H new ATOM 0 HE3 LYS C 13 3.816 4.749 13.154 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 4.600 3.766 15.366 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 3.662 2.768 14.363 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 5.344 2.554 14.439 1.00 0.00 H new ATOM 841 N LEU C 14 1.962 1.993 8.559 1.00 0.00 N ATOM 842 CA LEU C 14 0.737 2.704 8.210 1.00 0.00 C ATOM 843 C LEU C 14 -0.457 1.763 8.257 1.00 0.00 C ATOM 844 O LEU C 14 -1.527 2.134 8.741 1.00 0.00 O ATOM 845 CB LEU C 14 0.878 3.293 6.799 1.00 0.00 C ATOM 846 CG LEU C 14 1.728 4.578 6.851 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.368 4.834 5.478 1.00 0.00 C ATOM 848 CD2 LEU C 14 0.825 5.771 7.209 1.00 0.00 C ATOM 0 H LEU C 14 2.664 1.963 7.820 1.00 0.00 H new ATOM 0 HA LEU C 14 0.574 3.506 8.930 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.344 2.564 6.136 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.107 3.514 6.387 1.00 0.00 H new ATOM 0 HG LEU C 14 2.509 4.461 7.603 1.00 0.00 H new ATOM 0 HD11 LEU C 14 2.968 5.743 5.520 1.00 0.00 H new ATOM 0 HD12 LEU C 14 3.005 3.991 5.211 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.586 4.950 4.728 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.423 6.682 7.247 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.047 5.879 6.453 1.00 0.00 H new ATOM 0 HD23 LEU C 14 0.364 5.599 8.182 1.00 0.00 H new ATOM 860 N LEU C 15 -0.272 0.553 7.750 1.00 0.00 N ATOM 861 CA LEU C 15 -1.350 -0.427 7.745 1.00 0.00 C ATOM 862 C LEU C 15 -1.730 -0.810 9.173 1.00 0.00 C ATOM 863 O LEU C 15 -2.908 -0.927 9.504 1.00 0.00 O ATOM 864 CB LEU C 15 -0.902 -1.675 6.984 1.00 0.00 C ATOM 865 CG LEU C 15 -0.704 -1.329 5.503 1.00 0.00 C ATOM 866 CD1 LEU C 15 -0.055 -2.513 4.785 1.00 0.00 C ATOM 867 CD2 LEU C 15 -2.057 -1.004 4.844 1.00 0.00 C ATOM 0 H LEU C 15 0.604 0.228 7.341 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.220 0.011 7.256 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.027 -2.057 7.406 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -1.647 -2.464 7.087 1.00 0.00 H new ATOM 0 HG LEU C 15 -0.057 -0.455 5.428 1.00 0.00 H new ATOM 0 HD11 LEU C 15 0.086 -2.267 3.732 1.00 0.00 H new ATOM 0 HD12 LEU C 15 0.912 -2.729 5.240 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -0.699 -3.388 4.870 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -1.901 -0.760 3.793 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -2.717 -1.868 4.922 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.513 -0.153 5.350 1.00 0.00 H new ATOM 879 N ASP C 16 -0.720 -0.991 10.016 1.00 0.00 N ATOM 880 CA ASP C 16 -0.952 -1.349 11.411 1.00 0.00 C ATOM 881 C ASP C 16 -1.676 -0.223 12.145 1.00 0.00 C ATOM 882 O ASP C 16 -2.538 -0.465 12.990 1.00 0.00 O ATOM 883 CB ASP C 16 0.372 -1.656 12.106 1.00 0.00 C ATOM 884 CG ASP C 16 0.929 -2.983 11.599 1.00 0.00 C ATOM 885 OD1 ASP C 16 0.195 -3.700 10.939 1.00 0.00 O ATOM 886 OD2 ASP C 16 2.082 -3.264 11.883 1.00 0.00 O ATOM 0 H ASP C 16 0.263 -0.896 9.760 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.581 -2.239 11.434 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.087 -0.855 11.916 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.224 -1.702 13.185 1.00 0.00 H new ATOM 891 N ASP C 17 -1.311 1.010 11.817 1.00 0.00 N ATOM 892 CA ASP C 17 -1.914 2.177 12.447 1.00 0.00 C ATOM 893 C ASP C 17 -3.388 2.278 12.075 1.00 0.00 C ATOM 894 O ASP C 17 -4.124 3.090 12.634 1.00 0.00 O ATOM 895 CB ASP C 17 -1.182 3.451 12.020 1.00 0.00 C ATOM 896 CG ASP C 17 0.196 3.504 12.674 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.425 2.736 13.594 1.00 0.00 O ATOM 898 OD2 ASP C 17 1.002 4.313 12.245 1.00 0.00 O ATOM 0 H ASP C 17 -0.600 1.227 11.118 1.00 0.00 H new ATOM 0 HA ASP C 17 -1.829 2.066 13.528 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.080 3.476 10.935 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -1.763 4.328 12.306 1.00 0.00 H new ATOM 903 N SER C 18 -3.811 1.459 11.119 1.00 0.00 N ATOM 904 CA SER C 18 -5.195 1.479 10.670 1.00 0.00 C ATOM 905 C SER C 18 -6.137 1.180 11.826 1.00 0.00 C ATOM 906 O SER C 18 -7.314 1.534 11.790 1.00 0.00 O ATOM 907 CB SER C 18 -5.397 0.437 9.569 1.00 0.00 C ATOM 908 OG SER C 18 -5.247 -0.865 10.121 1.00 0.00 O ATOM 0 H SER C 18 -3.219 0.778 10.644 1.00 0.00 H new ATOM 0 HA SER C 18 -5.417 2.473 10.281 1.00 0.00 H new ATOM 0 HB2 SER C 18 -6.388 0.545 9.127 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.673 0.591 8.769 1.00 0.00 H new ATOM 0 HG SER C 18 -4.294 -1.070 10.221 1.00 0.00 H new ATOM 914 N SER C 19 -5.607 0.540 12.852 1.00 0.00 N ATOM 915 CA SER C 19 -6.403 0.205 14.032 1.00 0.00 C ATOM 916 C SER C 19 -6.542 1.411 14.954 1.00 0.00 C ATOM 917 O SER C 19 -7.424 1.457 15.811 1.00 0.00 O ATOM 918 CB SER C 19 -5.759 -0.952 14.797 1.00 0.00 C ATOM 919 OG SER C 19 -6.577 -1.295 15.909 1.00 0.00 O ATOM 0 H SER C 19 -4.633 0.240 12.898 1.00 0.00 H new ATOM 0 HA SER C 19 -7.395 -0.094 13.694 1.00 0.00 H new ATOM 0 HB2 SER C 19 -5.638 -1.814 14.141 1.00 0.00 H new ATOM 0 HB3 SER C 19 -4.763 -0.668 15.138 1.00 0.00 H new ATOM 0 HG SER C 19 -6.167 -2.037 16.400 1.00 0.00 H new ATOM 925 N SER C 20 -5.670 2.384 14.763 1.00 0.00 N ATOM 926 CA SER C 20 -5.694 3.598 15.577 1.00 0.00 C ATOM 927 C SER C 20 -6.795 4.540 15.101 1.00 0.00 C ATOM 928 O SER C 20 -7.164 4.537 13.926 1.00 0.00 O ATOM 929 CB SER C 20 -4.342 4.313 15.504 1.00 0.00 C ATOM 930 OG SER C 20 -4.341 5.407 16.413 1.00 0.00 O ATOM 0 H SER C 20 -4.936 2.363 14.055 1.00 0.00 H new ATOM 0 HA SER C 20 -5.894 3.312 16.610 1.00 0.00 H new ATOM 0 HB2 SER C 20 -3.537 3.620 15.750 1.00 0.00 H new ATOM 0 HB3 SER C 20 -4.159 4.668 14.490 1.00 0.00 H new ATOM 0 HG SER C 20 -3.476 5.867 16.371 1.00 0.00 H new