USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 474 hydrogens (9 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Single : A 1 LYS N :NH3+ -161:sc= -0.118 (180deg=-0.443) USER MOD Single : A 1 LYS NZ :NH3+ 161:sc= -0.0738 (180deg=-0.599) USER MOD Single : A 2 ASN : amide:sc= -4.36! C(o=-4.4!,f=-6.6!) USER MOD Single : A 9 THR OG1 : rot 70:sc= 0.0482 USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.0909 (180deg=-0.633) USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.0668 (180deg=-0.57) USER MOD Single : A 18 SER OG : rot -62:sc= 0.867 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -160:sc= -0.088 (180deg=-0.5) USER MOD Single : B 1 LYS NZ :NH3+ 160:sc= -0.0954 (180deg=-0.565) USER MOD Single : B 2 ASN : amide:sc= -4.29! C(o=-4.3!,f=-6!) USER MOD Single : B 9 THR OG1 : rot 69:sc= 0.0685 USER MOD Single : B 12 LYS NZ :NH3+ 160:sc= -0.0761 (180deg=-0.613) USER MOD Single : B 13 LYS NZ :NH3+ -161:sc= -0.0879 (180deg=-0.598) USER MOD Single : B 18 SER OG : rot -86:sc= 0.899 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc=-0.00117 USER MOD Single : C 1 LYS N :NH3+ -161:sc= -0.0782 (180deg=-0.425) USER MOD Single : C 1 LYS NZ :NH3+ 162:sc= -0.0665 (180deg=-0.587) USER MOD Single : C 2 ASN : amide:sc= -4.65! C(o=-4.7!,f=-6.5!) USER MOD Single : C 9 THR OG1 : rot 70:sc= 0.061 USER MOD Single : C 12 LYS NZ :NH3+ 160:sc= -0.0807 (180deg=-0.578) USER MOD Single : C 13 LYS NZ :NH3+ -160:sc= -0.0673 (180deg=-0.596) USER MOD Single : C 18 SER OG : rot -77:sc= 0.87 USER MOD Single : C 19 SER OG : rot 180:sc= 0 USER MOD Single : C 20 SER OG : rot 180:sc= -0.0131 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.156 4.045 15.575 1.00 0.00 N ATOM 2 CA LYS A 1 -8.231 4.998 15.313 1.00 0.00 C ATOM 3 C LYS A 1 -7.651 6.331 14.871 1.00 0.00 C ATOM 4 O LYS A 1 -8.352 7.345 14.818 1.00 0.00 O ATOM 5 CB LYS A 1 -9.080 5.197 16.571 1.00 0.00 C ATOM 6 CG LYS A 1 -9.838 3.906 16.881 1.00 0.00 C ATOM 7 CD LYS A 1 -10.686 4.100 18.139 1.00 0.00 C ATOM 8 CE LYS A 1 -11.466 2.817 18.431 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.508 1.704 18.682 1.00 0.00 N ATOM 0 H3 LYS A 1 -7.538 3.078 15.559 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.862 4.601 14.518 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.444 5.469 17.413 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.782 6.018 16.423 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.475 3.635 16.039 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.135 3.086 17.026 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.047 4.351 18.986 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.375 4.934 18.001 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.111 2.959 19.298 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.113 2.572 17.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.994 0.934 19.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.143 1.349 17.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.717 2.051 19.262 1.00 0.00 H new ATOM 23 N ASN A 2 -6.359 6.326 14.579 1.00 0.00 N ATOM 24 CA ASN A 2 -5.686 7.545 14.171 1.00 0.00 C ATOM 25 C ASN A 2 -6.217 8.043 12.821 1.00 0.00 C ATOM 26 O ASN A 2 -6.706 7.253 12.011 1.00 0.00 O ATOM 27 CB ASN A 2 -4.175 7.312 14.071 1.00 0.00 C ATOM 28 CG ASN A 2 -3.876 6.271 13.004 1.00 0.00 C ATOM 29 OD1 ASN A 2 -2.713 5.972 12.737 1.00 0.00 O ATOM 30 ND2 ASN A 2 -4.863 5.708 12.364 1.00 0.00 N ATOM 0 H ASN A 2 -5.763 5.499 14.617 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.886 8.304 14.927 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.670 8.247 13.829 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.786 6.980 15.033 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.672 5.017 11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.826 5.959 12.589 1.00 0.00 H new ATOM 37 N PRO A 3 -6.118 9.327 12.553 1.00 0.00 N ATOM 38 CA PRO A 3 -6.591 9.916 11.258 1.00 0.00 C ATOM 39 C PRO A 3 -5.929 9.247 10.046 1.00 0.00 C ATOM 40 O PRO A 3 -6.484 9.238 8.947 1.00 0.00 O ATOM 41 CB PRO A 3 -6.171 11.396 11.356 1.00 0.00 C ATOM 42 CG PRO A 3 -6.040 11.669 12.816 1.00 0.00 C ATOM 43 CD PRO A 3 -5.565 10.370 13.445 1.00 0.00 C ATOM 0 HA PRO A 3 -7.663 9.778 11.113 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.230 11.573 10.836 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.915 12.048 10.899 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.329 12.474 13.000 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.993 11.982 13.241 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.477 10.322 13.492 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -5.933 10.261 14.465 1.00 0.00 H new ATOM 51 N GLU A 4 -4.737 8.700 10.256 1.00 0.00 N ATOM 52 CA GLU A 4 -4.002 8.049 9.178 1.00 0.00 C ATOM 53 C GLU A 4 -4.789 6.853 8.647 1.00 0.00 C ATOM 54 O GLU A 4 -4.511 6.344 7.558 1.00 0.00 O ATOM 55 CB GLU A 4 -2.634 7.584 9.686 1.00 0.00 C ATOM 56 CG GLU A 4 -1.773 8.803 10.022 1.00 0.00 C ATOM 57 CD GLU A 4 -0.439 8.354 10.608 1.00 0.00 C ATOM 58 OE1 GLU A 4 0.382 9.213 10.890 1.00 0.00 O ATOM 59 OE2 GLU A 4 -0.256 7.159 10.767 1.00 0.00 O ATOM 0 H GLU A 4 -4.261 8.694 11.158 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.861 8.765 8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.756 6.957 10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.141 6.975 8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.603 9.397 9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.295 9.442 10.734 1.00 0.00 H new ATOM 66 N ALA A 5 -5.775 6.412 9.421 1.00 0.00 N ATOM 67 CA ALA A 5 -6.597 5.275 9.023 1.00 0.00 C ATOM 68 C ALA A 5 -7.281 5.559 7.689 1.00 0.00 C ATOM 69 O ALA A 5 -7.559 4.643 6.916 1.00 0.00 O ATOM 70 CB ALA A 5 -7.656 4.996 10.093 1.00 0.00 C ATOM 0 H ALA A 5 -6.023 6.821 10.322 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.954 4.401 8.914 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.266 4.145 9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.166 4.770 11.040 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.291 5.873 10.213 1.00 0.00 H new ATOM 76 N GLU A 6 -7.542 6.833 7.420 1.00 0.00 N ATOM 77 CA GLU A 6 -8.186 7.221 6.171 1.00 0.00 C ATOM 78 C GLU A 6 -7.305 6.837 4.983 1.00 0.00 C ATOM 79 O GLU A 6 -7.801 6.410 3.941 1.00 0.00 O ATOM 80 CB GLU A 6 -8.436 8.731 6.160 1.00 0.00 C ATOM 81 CG GLU A 6 -9.517 9.076 7.186 1.00 0.00 C ATOM 82 CD GLU A 6 -9.710 10.586 7.255 1.00 0.00 C ATOM 83 OE1 GLU A 6 -10.615 11.017 7.951 1.00 0.00 O ATOM 84 OE2 GLU A 6 -8.948 11.291 6.613 1.00 0.00 O ATOM 0 H GLU A 6 -7.320 7.609 8.044 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.139 6.698 6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.515 9.265 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.747 9.052 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.456 8.594 6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.235 8.692 8.166 1.00 0.00 H new ATOM 91 N GLU A 7 -5.994 7.000 5.146 1.00 0.00 N ATOM 92 CA GLU A 7 -5.059 6.674 4.075 1.00 0.00 C ATOM 93 C GLU A 7 -5.138 5.182 3.755 1.00 0.00 C ATOM 94 O GLU A 7 -5.095 4.776 2.594 1.00 0.00 O ATOM 95 CB GLU A 7 -3.627 7.043 4.496 1.00 0.00 C ATOM 96 CG GLU A 7 -2.778 7.298 3.248 1.00 0.00 C ATOM 97 CD GLU A 7 -2.786 6.067 2.347 1.00 0.00 C ATOM 98 OE1 GLU A 7 -2.991 6.234 1.153 1.00 0.00 O ATOM 99 OE2 GLU A 7 -2.590 4.979 2.861 1.00 0.00 O ATOM 0 H GLU A 7 -5.560 7.352 5.999 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.325 7.245 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.640 7.931 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.191 6.237 5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.167 8.159 2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.755 7.539 3.538 1.00 0.00 H new ATOM 106 N ILE A 8 -5.267 4.372 4.798 1.00 0.00 N ATOM 107 CA ILE A 8 -5.370 2.922 4.621 1.00 0.00 C ATOM 108 C ILE A 8 -6.625 2.584 3.816 1.00 0.00 C ATOM 109 O ILE A 8 -6.603 1.715 2.945 1.00 0.00 O ATOM 110 CB ILE A 8 -5.406 2.215 5.987 1.00 0.00 C ATOM 111 CG1 ILE A 8 -3.981 2.112 6.552 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.003 0.807 5.837 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.321 3.490 6.548 1.00 0.00 C ATOM 0 H ILE A 8 -5.303 4.686 5.768 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.494 2.572 4.075 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.028 2.794 6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.010 1.716 7.567 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.393 1.415 5.955 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.024 0.315 6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.018 0.882 5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.391 0.224 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.311 3.411 6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.277 3.869 5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.904 4.174 7.164 1.00 0.00 H new ATOM 125 N THR A 9 -7.715 3.266 4.125 1.00 0.00 N ATOM 126 CA THR A 9 -8.972 3.019 3.435 1.00 0.00 C ATOM 127 C THR A 9 -8.800 3.269 1.939 1.00 0.00 C ATOM 128 O THR A 9 -9.302 2.505 1.112 1.00 0.00 O ATOM 129 CB THR A 9 -10.063 3.939 3.993 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.256 3.658 5.372 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.373 3.706 3.236 1.00 0.00 C ATOM 0 H THR A 9 -7.757 3.989 4.843 1.00 0.00 H new ATOM 0 HA THR A 9 -9.266 1.981 3.592 1.00 0.00 H new ATOM 0 HB THR A 9 -9.757 4.978 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.471 3.953 5.879 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.146 4.362 3.636 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.225 3.922 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.682 2.667 3.354 1.00 0.00 H new ATOM 139 N ARG A 10 -8.086 4.335 1.600 1.00 0.00 N ATOM 140 CA ARG A 10 -7.846 4.666 0.200 1.00 0.00 C ATOM 141 C ARG A 10 -7.076 3.537 -0.478 1.00 0.00 C ATOM 142 O ARG A 10 -7.376 3.159 -1.610 1.00 0.00 O ATOM 143 CB ARG A 10 -7.053 5.969 0.099 1.00 0.00 C ATOM 144 CG ARG A 10 -6.857 6.335 -1.372 1.00 0.00 C ATOM 145 CD ARG A 10 -6.196 7.709 -1.470 1.00 0.00 C ATOM 146 NE ARG A 10 -4.861 7.674 -0.881 1.00 0.00 N ATOM 147 CZ ARG A 10 -4.167 8.792 -0.693 1.00 0.00 C ATOM 148 NH1 ARG A 10 -2.977 8.738 -0.162 1.00 0.00 N ATOM 149 NH2 ARG A 10 -4.677 9.944 -1.037 1.00 0.00 N ATOM 0 H ARG A 10 -7.666 4.981 2.268 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.805 4.794 -0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.582 6.770 0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.086 5.857 0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.238 5.586 -1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.818 6.344 -1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.132 8.015 -2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.808 8.451 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.455 6.779 -0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.580 7.838 0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.444 9.595 -0.017 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.609 9.986 -1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.144 10.801 -0.892 1.00 0.00 H new ATOM 163 N CYS A 11 -6.087 2.998 0.223 1.00 0.00 N ATOM 164 CA CYS A 11 -5.291 1.907 -0.321 1.00 0.00 C ATOM 165 C CYS A 11 -6.166 0.672 -0.533 1.00 0.00 C ATOM 166 O CYS A 11 -5.986 -0.068 -1.496 1.00 0.00 O ATOM 167 CB CYS A 11 -4.145 1.573 0.638 1.00 0.00 C ATOM 168 SG CYS A 11 -2.681 2.542 0.206 1.00 0.00 S ATOM 0 H CYS A 11 -5.819 3.295 1.161 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.878 2.216 -1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.444 1.787 1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.915 0.509 0.588 1.00 0.00 H new ATOM 173 N LYS A 12 -7.108 0.458 0.376 1.00 0.00 N ATOM 174 CA LYS A 12 -7.992 -0.694 0.280 1.00 0.00 C ATOM 175 C LYS A 12 -8.761 -0.655 -1.036 1.00 0.00 C ATOM 176 O LYS A 12 -8.875 -1.667 -1.729 1.00 0.00 O ATOM 177 CB LYS A 12 -8.973 -0.693 1.455 1.00 0.00 C ATOM 178 CG LYS A 12 -9.844 -1.949 1.399 1.00 0.00 C ATOM 179 CD LYS A 12 -10.778 -1.978 2.609 1.00 0.00 C ATOM 180 CE LYS A 12 -11.657 -3.228 2.543 1.00 0.00 C ATOM 181 NZ LYS A 12 -10.794 -4.443 2.594 1.00 0.00 N ATOM 0 H LYS A 12 -7.278 1.061 1.181 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.393 -1.604 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.427 -0.659 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.600 0.198 1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.426 -1.960 0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.216 -2.840 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.197 -1.977 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.400 -1.083 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.362 -3.234 3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.245 -3.224 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.360 -5.258 2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.404 -4.631 1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.015 -4.288 3.265 1.00 0.00 H new ATOM 195 N LYS A 13 -9.276 0.519 -1.382 1.00 0.00 N ATOM 196 CA LYS A 13 -10.017 0.676 -2.627 1.00 0.00 C ATOM 197 C LYS A 13 -9.109 0.397 -3.820 1.00 0.00 C ATOM 198 O LYS A 13 -9.521 -0.229 -4.795 1.00 0.00 O ATOM 199 CB LYS A 13 -10.584 2.093 -2.724 1.00 0.00 C ATOM 200 CG LYS A 13 -11.698 2.267 -1.691 1.00 0.00 C ATOM 201 CD LYS A 13 -12.253 3.689 -1.775 1.00 0.00 C ATOM 202 CE LYS A 13 -13.347 3.873 -0.722 1.00 0.00 C ATOM 203 NZ LYS A 13 -14.464 2.925 -0.999 1.00 0.00 N ATOM 0 H LYS A 13 -9.195 1.369 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.840 -0.038 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.795 2.825 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.972 2.273 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.493 1.544 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.313 2.074 -0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.454 4.413 -1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.657 3.875 -2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.942 3.695 0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.714 4.899 -0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.332 3.267 -0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.619 2.861 -2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.222 1.985 -0.626 1.00 0.00 H new ATOM 217 N LEU A 14 -7.870 0.866 -3.734 1.00 0.00 N ATOM 218 CA LEU A 14 -6.910 0.659 -4.812 1.00 0.00 C ATOM 219 C LEU A 14 -6.629 -0.824 -5.005 1.00 0.00 C ATOM 220 O LEU A 14 -6.534 -1.304 -6.132 1.00 0.00 O ATOM 221 CB LEU A 14 -5.607 1.396 -4.493 1.00 0.00 C ATOM 222 CG LEU A 14 -5.822 2.915 -4.605 1.00 0.00 C ATOM 223 CD1 LEU A 14 -4.615 3.660 -4.003 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.982 3.321 -6.084 1.00 0.00 C ATOM 0 H LEU A 14 -7.508 1.388 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.335 1.054 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.272 1.141 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.823 1.080 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.727 3.181 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.773 4.735 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.507 3.388 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.710 3.384 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.134 4.398 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.083 3.046 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.842 2.806 -6.512 1.00 0.00 H new ATOM 236 N LEU A 15 -6.498 -1.542 -3.899 1.00 0.00 N ATOM 237 CA LEU A 15 -6.229 -2.972 -3.959 1.00 0.00 C ATOM 238 C LEU A 15 -7.391 -3.710 -4.614 1.00 0.00 C ATOM 239 O LEU A 15 -7.193 -4.619 -5.414 1.00 0.00 O ATOM 240 CB LEU A 15 -6.003 -3.511 -2.547 1.00 0.00 C ATOM 241 CG LEU A 15 -4.683 -2.958 -1.989 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.584 -3.289 -0.496 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.477 -3.567 -2.737 1.00 0.00 C ATOM 0 H LEU A 15 -6.573 -1.162 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.334 -3.135 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.832 -3.223 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.975 -4.601 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.668 -1.877 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.648 -2.897 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.422 -2.835 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.612 -4.370 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.552 -3.162 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.484 -4.650 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.543 -3.319 -3.796 1.00 0.00 H new ATOM 255 N ASP A 16 -8.606 -3.302 -4.271 1.00 0.00 N ATOM 256 CA ASP A 16 -9.800 -3.927 -4.829 1.00 0.00 C ATOM 257 C ASP A 16 -9.848 -3.726 -6.341 1.00 0.00 C ATOM 258 O ASP A 16 -10.260 -4.616 -7.086 1.00 0.00 O ATOM 259 CB ASP A 16 -11.053 -3.334 -4.187 1.00 0.00 C ATOM 260 CG ASP A 16 -11.173 -3.813 -2.744 1.00 0.00 C ATOM 261 OD1 ASP A 16 -11.980 -3.252 -2.020 1.00 0.00 O ATOM 262 OD2 ASP A 16 -10.454 -4.729 -2.380 1.00 0.00 O ATOM 0 H ASP A 16 -8.791 -2.545 -3.613 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.763 -4.996 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.006 -2.245 -4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.937 -3.630 -4.752 1.00 0.00 H new ATOM 267 N ASP A 17 -9.422 -2.550 -6.783 1.00 0.00 N ATOM 268 CA ASP A 17 -9.415 -2.226 -8.205 1.00 0.00 C ATOM 269 C ASP A 17 -8.436 -3.126 -8.949 1.00 0.00 C ATOM 270 O ASP A 17 -8.405 -3.140 -10.180 1.00 0.00 O ATOM 271 CB ASP A 17 -9.036 -0.758 -8.416 1.00 0.00 C ATOM 272 CG ASP A 17 -10.181 0.146 -7.972 1.00 0.00 C ATOM 273 OD1 ASP A 17 -9.951 1.336 -7.837 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.272 -0.364 -7.775 1.00 0.00 O ATOM 0 H ASP A 17 -9.077 -1.805 -6.178 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.417 -2.392 -8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.135 -0.522 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.808 -0.580 -9.467 1.00 0.00 H new ATOM 279 N SER A 18 -7.629 -3.867 -8.198 1.00 0.00 N ATOM 280 CA SER A 18 -6.643 -4.750 -8.804 1.00 0.00 C ATOM 281 C SER A 18 -7.319 -5.756 -9.721 1.00 0.00 C ATOM 282 O SER A 18 -6.753 -6.168 -10.733 1.00 0.00 O ATOM 283 CB SER A 18 -5.872 -5.490 -7.708 1.00 0.00 C ATOM 284 OG SER A 18 -6.767 -6.334 -6.992 1.00 0.00 O ATOM 0 H SER A 18 -7.638 -3.874 -7.178 1.00 0.00 H new ATOM 0 HA SER A 18 -5.952 -4.148 -9.395 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.069 -6.082 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.406 -4.776 -7.029 1.00 0.00 H new ATOM 0 HG SER A 18 -7.457 -5.788 -6.561 1.00 0.00 H new ATOM 290 N SER A 19 -8.531 -6.135 -9.367 1.00 0.00 N ATOM 291 CA SER A 19 -9.294 -7.090 -10.176 1.00 0.00 C ATOM 292 C SER A 19 -10.024 -6.377 -11.306 1.00 0.00 C ATOM 293 O SER A 19 -10.497 -7.005 -12.252 1.00 0.00 O ATOM 294 CB SER A 19 -10.304 -7.838 -9.305 1.00 0.00 C ATOM 295 OG SER A 19 -9.611 -8.631 -8.352 1.00 0.00 O ATOM 0 H SER A 19 -9.014 -5.804 -8.532 1.00 0.00 H new ATOM 0 HA SER A 19 -8.592 -7.805 -10.606 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.958 -7.129 -8.797 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.939 -8.469 -9.926 1.00 0.00 H new ATOM 0 HG SER A 19 -10.258 -9.109 -7.792 1.00 0.00 H new ATOM 301 N SER A 20 -10.099 -5.063 -11.197 1.00 0.00 N ATOM 302 CA SER A 20 -10.763 -4.247 -12.214 1.00 0.00 C ATOM 303 C SER A 20 -9.837 -4.011 -13.402 1.00 0.00 C ATOM 304 O SER A 20 -8.616 -3.978 -13.252 1.00 0.00 O ATOM 305 CB SER A 20 -11.195 -2.905 -11.626 1.00 0.00 C ATOM 306 OG SER A 20 -12.004 -3.134 -10.481 1.00 0.00 O ATOM 0 H SER A 20 -9.711 -4.532 -10.417 1.00 0.00 H new ATOM 0 HA SER A 20 -11.646 -4.787 -12.555 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.320 -2.315 -11.355 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.749 -2.331 -12.368 1.00 0.00 H new ATOM 0 HG SER A 20 -12.282 -2.275 -10.100 1.00 0.00 H new TER 312 SER A 20 ATOM 313 N LYS B 1 -10.424 -3.842 -14.582 1.00 0.00 N ATOM 314 CA LYS B 1 -9.643 -3.604 -15.794 1.00 0.00 C ATOM 315 C LYS B 1 -9.382 -2.117 -15.968 1.00 0.00 C ATOM 316 O LYS B 1 -8.939 -1.670 -17.029 1.00 0.00 O ATOM 317 CB LYS B 1 -10.391 -4.143 -17.014 1.00 0.00 C ATOM 318 CG LYS B 1 -10.474 -5.668 -16.923 1.00 0.00 C ATOM 319 CD LYS B 1 -11.231 -6.212 -18.136 1.00 0.00 C ATOM 320 CE LYS B 1 -11.281 -7.739 -18.064 1.00 0.00 C ATOM 321 NZ LYS B 1 -12.018 -8.151 -16.836 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.313 -4.833 -14.287 1.00 0.00 H new ATOM 0 HA LYS B 1 -8.689 -4.123 -15.701 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.392 -3.715 -17.059 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -9.877 -3.849 -17.929 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -9.472 -6.096 -16.885 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -10.981 -5.961 -16.004 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -12.242 -5.805 -18.159 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -10.739 -5.897 -19.056 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -11.774 -8.140 -18.950 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -10.270 -8.147 -18.049 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -12.349 -9.131 -16.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -11.385 -8.087 -16.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -12.835 -7.523 -16.694 1.00 0.00 H new ATOM 335 N ASN B 2 -9.680 -1.354 -14.928 1.00 0.00 N ATOM 336 CA ASN B 2 -9.497 0.084 -14.987 1.00 0.00 C ATOM 337 C ASN B 2 -8.013 0.444 -15.123 1.00 0.00 C ATOM 338 O ASN B 2 -7.143 -0.320 -14.701 1.00 0.00 O ATOM 339 CB ASN B 2 -10.071 0.747 -13.730 1.00 0.00 C ATOM 340 CG ASN B 2 -9.314 0.276 -12.499 1.00 0.00 C ATOM 341 OD1 ASN B 2 -9.576 0.747 -11.392 1.00 0.00 O ATOM 342 ND2 ASN B 2 -8.376 -0.620 -12.627 1.00 0.00 N ATOM 0 H ASN B 2 -10.046 -1.704 -14.042 1.00 0.00 H new ATOM 0 HA ASN B 2 -10.028 0.452 -15.865 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -10.001 1.831 -13.817 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -11.129 0.503 -13.631 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -7.855 -0.934 -11.808 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -8.163 -1.007 -13.546 1.00 0.00 H new ATOM 349 N PRO B 3 -7.703 1.593 -15.686 1.00 0.00 N ATOM 350 CA PRO B 3 -6.285 2.047 -15.856 1.00 0.00 C ATOM 351 C PRO B 3 -5.528 2.088 -14.523 1.00 0.00 C ATOM 352 O PRO B 3 -4.302 1.977 -14.487 1.00 0.00 O ATOM 353 CB PRO B 3 -6.426 3.466 -16.442 1.00 0.00 C ATOM 354 CG PRO B 3 -7.772 3.491 -17.082 1.00 0.00 C ATOM 355 CD PRO B 3 -8.652 2.584 -16.240 1.00 0.00 C ATOM 0 HA PRO B 3 -5.713 1.369 -16.490 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -6.346 4.224 -15.663 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.640 3.672 -17.169 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -8.171 4.505 -17.111 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -7.721 3.139 -18.112 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -9.159 3.138 -15.450 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -9.426 2.106 -16.841 1.00 0.00 H new ATOM 363 N GLU B 4 -6.268 2.259 -13.434 1.00 0.00 N ATOM 364 CA GLU B 4 -5.660 2.332 -12.110 1.00 0.00 C ATOM 365 C GLU B 4 -4.943 1.023 -11.784 1.00 0.00 C ATOM 366 O GLU B 4 -4.117 0.963 -10.870 1.00 0.00 O ATOM 367 CB GLU B 4 -6.736 2.605 -11.056 1.00 0.00 C ATOM 368 CG GLU B 4 -7.318 4.004 -11.271 1.00 0.00 C ATOM 369 CD GLU B 4 -8.438 4.263 -10.269 1.00 0.00 C ATOM 370 OE1 GLU B 4 -8.980 5.356 -10.285 1.00 0.00 O ATOM 371 OE2 GLU B 4 -8.737 3.365 -9.499 1.00 0.00 O ATOM 0 H GLU B 4 -7.284 2.349 -13.440 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.934 3.145 -12.104 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -7.526 1.857 -11.125 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -6.309 2.527 -10.056 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.535 4.754 -11.156 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.700 4.095 -12.288 1.00 0.00 H new ATOM 378 N ALA B 5 -5.260 -0.022 -12.542 1.00 0.00 N ATOM 379 CA ALA B 5 -4.644 -1.326 -12.327 1.00 0.00 C ATOM 380 C ALA B 5 -3.128 -1.220 -12.463 1.00 0.00 C ATOM 381 O ALA B 5 -2.385 -1.976 -11.838 1.00 0.00 O ATOM 382 CB ALA B 5 -5.184 -2.334 -13.345 1.00 0.00 C ATOM 0 H ALA B 5 -5.935 0.008 -13.306 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.888 -1.667 -11.321 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.719 -3.305 -13.177 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.264 -2.424 -13.230 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.954 -1.991 -14.354 1.00 0.00 H new ATOM 388 N GLU B 6 -2.674 -0.274 -13.277 1.00 0.00 N ATOM 389 CA GLU B 6 -1.244 -0.077 -13.475 1.00 0.00 C ATOM 390 C GLU B 6 -0.579 0.316 -12.158 1.00 0.00 C ATOM 391 O GLU B 6 0.538 -0.107 -11.863 1.00 0.00 O ATOM 392 CB GLU B 6 -1.007 1.019 -14.518 1.00 0.00 C ATOM 393 CG GLU B 6 -1.442 0.515 -15.895 1.00 0.00 C ATOM 394 CD GLU B 6 -1.288 1.623 -16.930 1.00 0.00 C ATOM 395 OE1 GLU B 6 -1.518 1.352 -18.098 1.00 0.00 O ATOM 396 OE2 GLU B 6 -0.943 2.727 -16.541 1.00 0.00 O ATOM 0 H GLU B 6 -3.270 0.363 -13.806 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.808 -1.011 -13.829 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -1.568 1.915 -14.253 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.047 1.296 -14.537 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.841 -0.348 -16.182 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -2.479 0.182 -15.858 1.00 0.00 H new ATOM 403 N GLU B 7 -1.273 1.135 -11.370 1.00 0.00 N ATOM 404 CA GLU B 7 -0.734 1.582 -10.090 1.00 0.00 C ATOM 405 C GLU B 7 -0.532 0.383 -9.165 1.00 0.00 C ATOM 406 O GLU B 7 0.463 0.294 -8.445 1.00 0.00 O ATOM 407 CB GLU B 7 -1.693 2.592 -9.438 1.00 0.00 C ATOM 408 CG GLU B 7 -0.908 3.502 -8.489 1.00 0.00 C ATOM 409 CD GLU B 7 -0.181 2.664 -7.442 1.00 0.00 C ATOM 410 OE1 GLU B 7 0.993 2.924 -7.216 1.00 0.00 O ATOM 411 OE2 GLU B 7 -0.804 1.778 -6.884 1.00 0.00 O ATOM 0 H GLU B 7 -2.200 1.499 -11.593 1.00 0.00 H new ATOM 0 HA GLU B 7 0.227 2.067 -10.260 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -2.187 3.188 -10.205 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.475 2.066 -8.891 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.189 4.096 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.586 4.202 -8.000 1.00 0.00 H new ATOM 418 N ILE B 8 -1.480 -0.545 -9.203 1.00 0.00 N ATOM 419 CA ILE B 8 -1.391 -1.750 -8.377 1.00 0.00 C ATOM 420 C ILE B 8 -0.159 -2.565 -8.774 1.00 0.00 C ATOM 421 O ILE B 8 0.549 -3.098 -7.920 1.00 0.00 O ATOM 422 CB ILE B 8 -2.665 -2.599 -8.529 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.786 -2.007 -7.662 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.391 -4.047 -8.093 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.955 -0.521 -7.978 1.00 0.00 C ATOM 0 H ILE B 8 -2.313 -0.491 -9.790 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.297 -1.454 -7.332 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.970 -2.594 -9.575 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -4.720 -2.536 -7.848 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.550 -2.139 -6.606 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.300 -4.639 -8.205 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.603 -4.471 -8.715 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.076 -4.059 -7.050 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.751 -0.106 -7.360 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -3.023 0.004 -7.769 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -4.212 -0.400 -9.030 1.00 0.00 H new ATOM 437 N THR B 9 0.078 -2.664 -10.072 1.00 0.00 N ATOM 438 CA THR B 9 1.212 -3.426 -10.569 1.00 0.00 C ATOM 439 C THR B 9 2.511 -2.851 -10.012 1.00 0.00 C ATOM 440 O THR B 9 3.410 -3.595 -9.616 1.00 0.00 O ATOM 441 CB THR B 9 1.240 -3.383 -12.101 1.00 0.00 C ATOM 442 OG1 THR B 9 0.048 -3.966 -12.609 1.00 0.00 O ATOM 443 CG2 THR B 9 2.450 -4.164 -12.615 1.00 0.00 C ATOM 0 H THR B 9 -0.495 -2.230 -10.796 1.00 0.00 H new ATOM 0 HA THR B 9 1.112 -4.461 -10.243 1.00 0.00 H new ATOM 0 HB THR B 9 1.312 -2.348 -12.435 1.00 0.00 H new ATOM 0 HG1 THR B 9 -0.713 -3.383 -12.407 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.468 -4.132 -13.704 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.364 -3.717 -12.224 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.382 -5.200 -12.284 1.00 0.00 H new ATOM 451 N ARG B 10 2.599 -1.526 -9.978 1.00 0.00 N ATOM 452 CA ARG B 10 3.787 -0.863 -9.456 1.00 0.00 C ATOM 453 C ARG B 10 3.988 -1.233 -7.988 1.00 0.00 C ATOM 454 O ARG B 10 5.109 -1.489 -7.550 1.00 0.00 O ATOM 455 CB ARG B 10 3.643 0.654 -9.594 1.00 0.00 C ATOM 456 CG ARG B 10 4.920 1.335 -9.099 1.00 0.00 C ATOM 457 CD ARG B 10 4.832 2.836 -9.371 1.00 0.00 C ATOM 458 NE ARG B 10 3.740 3.429 -8.604 1.00 0.00 N ATOM 459 CZ ARG B 10 3.361 4.686 -8.814 1.00 0.00 C ATOM 460 NH1 ARG B 10 2.383 5.195 -8.118 1.00 0.00 N ATOM 461 NH2 ARG B 10 3.968 5.410 -9.716 1.00 0.00 N ATOM 0 H ARG B 10 1.867 -0.894 -10.303 1.00 0.00 H new ATOM 0 HA ARG B 10 4.655 -1.191 -10.028 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.457 0.919 -10.635 1.00 0.00 H new ATOM 0 HB3 ARG B 10 2.786 1.002 -9.018 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.052 1.155 -8.032 1.00 0.00 H new ATOM 0 HG3 ARG B 10 5.789 0.913 -9.603 1.00 0.00 H new ATOM 0 HD2 ARG B 10 5.774 3.316 -9.106 1.00 0.00 H new ATOM 0 HD3 ARG B 10 4.674 3.011 -10.435 1.00 0.00 H new ATOM 0 HE ARG B 10 3.261 2.871 -7.897 1.00 0.00 H new ATOM 0 HH11 ARG B 10 1.910 4.629 -7.414 1.00 0.00 H new ATOM 0 HH12 ARG B 10 2.091 6.159 -8.278 1.00 0.00 H new ATOM 0 HH21 ARG B 10 4.733 5.011 -10.260 1.00 0.00 H new ATOM 0 HH22 ARG B 10 3.677 6.374 -9.877 1.00 0.00 H new ATOM 475 N CYS B 11 2.895 -1.264 -7.235 1.00 0.00 N ATOM 476 CA CYS B 11 2.966 -1.614 -5.822 1.00 0.00 C ATOM 477 C CYS B 11 3.420 -3.061 -5.654 1.00 0.00 C ATOM 478 O CYS B 11 4.150 -3.387 -4.721 1.00 0.00 O ATOM 479 CB CYS B 11 1.591 -1.423 -5.173 1.00 0.00 C ATOM 480 SG CYS B 11 1.446 0.264 -4.540 1.00 0.00 S ATOM 0 H CYS B 11 1.957 -1.053 -7.575 1.00 0.00 H new ATOM 0 HA CYS B 11 3.691 -0.962 -5.335 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.804 -1.617 -5.902 1.00 0.00 H new ATOM 0 HB3 CYS B 11 1.458 -2.139 -4.362 1.00 0.00 H new ATOM 485 N LYS B 12 2.982 -3.923 -6.562 1.00 0.00 N ATOM 486 CA LYS B 12 3.346 -5.330 -6.493 1.00 0.00 C ATOM 487 C LYS B 12 4.863 -5.480 -6.556 1.00 0.00 C ATOM 488 O LYS B 12 5.453 -6.240 -5.788 1.00 0.00 O ATOM 489 CB LYS B 12 2.699 -6.089 -7.655 1.00 0.00 C ATOM 490 CG LYS B 12 3.013 -7.581 -7.532 1.00 0.00 C ATOM 491 CD LYS B 12 2.319 -8.343 -8.661 1.00 0.00 C ATOM 492 CE LYS B 12 2.658 -9.831 -8.553 1.00 0.00 C ATOM 493 NZ LYS B 12 2.153 -10.363 -7.255 1.00 0.00 N ATOM 0 H LYS B 12 2.380 -3.675 -7.347 1.00 0.00 H new ATOM 0 HA LYS B 12 2.988 -5.745 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.620 -5.932 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.071 -5.706 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS B 12 4.090 -7.742 -7.579 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.676 -7.956 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.240 -8.199 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.640 -7.955 -9.628 1.00 0.00 H new ATOM 0 HE2 LYS B 12 2.209 -10.378 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.736 -9.975 -8.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.070 -11.398 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 2.816 -10.111 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 1.220 -9.952 -7.051 1.00 0.00 H new ATOM 507 N LYS B 13 5.489 -4.742 -7.465 1.00 0.00 N ATOM 508 CA LYS B 13 6.939 -4.793 -7.605 1.00 0.00 C ATOM 509 C LYS B 13 7.609 -4.299 -6.326 1.00 0.00 C ATOM 510 O LYS B 13 8.612 -4.855 -5.883 1.00 0.00 O ATOM 511 CB LYS B 13 7.383 -3.933 -8.788 1.00 0.00 C ATOM 512 CG LYS B 13 6.935 -4.593 -10.093 1.00 0.00 C ATOM 513 CD LYS B 13 7.372 -3.730 -11.277 1.00 0.00 C ATOM 514 CE LYS B 13 6.897 -4.375 -12.580 1.00 0.00 C ATOM 515 NZ LYS B 13 7.522 -5.721 -12.722 1.00 0.00 N ATOM 0 H LYS B 13 5.020 -4.107 -8.111 1.00 0.00 H new ATOM 0 HA LYS B 13 7.236 -5.826 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.954 -2.934 -8.707 1.00 0.00 H new ATOM 0 HB3 LYS B 13 8.467 -3.816 -8.780 1.00 0.00 H new ATOM 0 HG2 LYS B 13 7.368 -5.590 -10.176 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.852 -4.715 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.956 -2.727 -11.183 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.457 -3.626 -11.284 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.811 -4.464 -12.580 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.165 -3.746 -13.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.472 -6.024 -13.716 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.517 -5.675 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 7.013 -6.405 -12.126 1.00 0.00 H new ATOM 529 N LEU B 14 7.046 -3.250 -5.738 1.00 0.00 N ATOM 530 CA LEU B 14 7.597 -2.689 -4.510 1.00 0.00 C ATOM 531 C LEU B 14 7.533 -3.707 -3.380 1.00 0.00 C ATOM 532 O LEU B 14 8.471 -3.838 -2.596 1.00 0.00 O ATOM 533 CB LEU B 14 6.816 -1.432 -4.120 1.00 0.00 C ATOM 534 CG LEU B 14 7.124 -0.296 -5.112 1.00 0.00 C ATOM 535 CD1 LEU B 14 6.134 0.866 -4.901 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.564 0.218 -4.902 1.00 0.00 C ATOM 0 H LEU B 14 6.215 -2.774 -6.088 1.00 0.00 H new ATOM 0 HA LEU B 14 8.641 -2.429 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.747 -1.644 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.084 -1.126 -3.109 1.00 0.00 H new ATOM 0 HG LEU B 14 7.024 -0.682 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.357 1.667 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.116 0.511 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.227 1.243 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.770 1.021 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.671 0.594 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.269 -0.598 -5.064 1.00 0.00 H new ATOM 548 N LEU B 15 6.421 -4.425 -3.304 1.00 0.00 N ATOM 549 CA LEU B 15 6.246 -5.432 -2.265 1.00 0.00 C ATOM 550 C LEU B 15 7.270 -6.549 -2.426 1.00 0.00 C ATOM 551 O LEU B 15 7.835 -7.036 -1.451 1.00 0.00 O ATOM 552 CB LEU B 15 4.832 -6.007 -2.344 1.00 0.00 C ATOM 553 CG LEU B 15 3.815 -4.933 -1.930 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.400 -5.421 -2.260 1.00 0.00 C ATOM 555 CD2 LEU B 15 3.921 -4.634 -0.418 1.00 0.00 C ATOM 0 H LEU B 15 5.632 -4.331 -3.943 1.00 0.00 H new ATOM 0 HA LEU B 15 6.395 -4.964 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.623 -6.348 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.745 -6.876 -1.691 1.00 0.00 H new ATOM 0 HG LEU B 15 4.029 -4.016 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.676 -4.661 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.319 -5.606 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.197 -6.344 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.192 -3.871 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.722 -5.544 0.148 1.00 0.00 H new ATOM 0 HD23 LEU B 15 4.924 -4.276 -0.187 1.00 0.00 H new ATOM 567 N ASP B 16 7.508 -6.945 -3.670 1.00 0.00 N ATOM 568 CA ASP B 16 8.468 -8.005 -3.958 1.00 0.00 C ATOM 569 C ASP B 16 9.869 -7.587 -3.519 1.00 0.00 C ATOM 570 O ASP B 16 10.645 -8.400 -3.018 1.00 0.00 O ATOM 571 CB ASP B 16 8.465 -8.324 -5.453 1.00 0.00 C ATOM 572 CG ASP B 16 7.177 -9.050 -5.828 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.900 -9.149 -7.012 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.485 -9.495 -4.927 1.00 0.00 O ATOM 0 H ASP B 16 7.052 -6.551 -4.493 1.00 0.00 H new ATOM 0 HA ASP B 16 8.178 -8.897 -3.403 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.555 -7.404 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.327 -8.942 -5.703 1.00 0.00 H new ATOM 579 N ASP B 17 10.180 -6.313 -3.713 1.00 0.00 N ATOM 580 CA ASP B 17 11.485 -5.780 -3.342 1.00 0.00 C ATOM 581 C ASP B 17 11.672 -5.840 -1.830 1.00 0.00 C ATOM 582 O ASP B 17 12.768 -5.603 -1.321 1.00 0.00 O ATOM 583 CB ASP B 17 11.631 -4.336 -3.827 1.00 0.00 C ATOM 584 CG ASP B 17 11.774 -4.310 -5.346 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.627 -3.242 -5.916 1.00 0.00 O ATOM 586 OD2 ASP B 17 12.034 -5.357 -5.916 1.00 0.00 O ATOM 0 H ASP B 17 9.546 -5.628 -4.125 1.00 0.00 H new ATOM 0 HA ASP B 17 12.252 -6.390 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.762 -3.752 -3.525 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.502 -3.874 -3.363 1.00 0.00 H new ATOM 591 N SER B 18 10.593 -6.143 -1.116 1.00 0.00 N ATOM 592 CA SER B 18 10.651 -6.211 0.337 1.00 0.00 C ATOM 593 C SER B 18 11.686 -7.230 0.784 1.00 0.00 C ATOM 594 O SER B 18 12.321 -7.070 1.826 1.00 0.00 O ATOM 595 CB SER B 18 9.278 -6.601 0.890 1.00 0.00 C ATOM 596 OG SER B 18 8.953 -7.916 0.454 1.00 0.00 O ATOM 0 H SER B 18 9.677 -6.343 -1.516 1.00 0.00 H new ATOM 0 HA SER B 18 10.936 -5.231 0.719 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.286 -6.558 1.979 1.00 0.00 H new ATOM 0 HB3 SER B 18 8.521 -5.895 0.549 1.00 0.00 H new ATOM 0 HG SER B 18 8.530 -7.873 -0.429 1.00 0.00 H new ATOM 602 N SER B 19 11.855 -8.267 -0.011 1.00 0.00 N ATOM 603 CA SER B 19 12.831 -9.316 0.304 1.00 0.00 C ATOM 604 C SER B 19 14.220 -8.927 -0.183 1.00 0.00 C ATOM 605 O SER B 19 15.220 -9.532 0.201 1.00 0.00 O ATOM 606 CB SER B 19 12.416 -10.638 -0.341 1.00 0.00 C ATOM 607 OG SER B 19 11.186 -11.072 0.221 1.00 0.00 O ATOM 0 H SER B 19 11.337 -8.415 -0.877 1.00 0.00 H new ATOM 0 HA SER B 19 12.859 -9.436 1.387 1.00 0.00 H new ATOM 0 HB2 SER B 19 12.312 -10.512 -1.419 1.00 0.00 H new ATOM 0 HB3 SER B 19 13.187 -11.391 -0.181 1.00 0.00 H new ATOM 0 HG SER B 19 10.918 -11.919 -0.193 1.00 0.00 H new ATOM 613 N SER B 20 14.267 -7.910 -1.024 1.00 0.00 N ATOM 614 CA SER B 20 15.536 -7.421 -1.567 1.00 0.00 C ATOM 615 C SER B 20 16.236 -6.501 -0.570 1.00 0.00 C ATOM 616 O SER B 20 15.586 -5.826 0.227 1.00 0.00 O ATOM 617 CB SER B 20 15.302 -6.672 -2.876 1.00 0.00 C ATOM 618 OG SER B 20 14.553 -7.496 -3.760 1.00 0.00 O ATOM 0 H SER B 20 13.445 -7.402 -1.350 1.00 0.00 H new ATOM 0 HA SER B 20 16.174 -8.284 -1.756 1.00 0.00 H new ATOM 0 HB2 SER B 20 14.767 -5.742 -2.686 1.00 0.00 H new ATOM 0 HB3 SER B 20 16.256 -6.404 -3.331 1.00 0.00 H new ATOM 0 HG SER B 20 14.399 -7.018 -4.601 1.00 0.00 H new TER 624 SER B 20 ATOM 625 N LYS C 1 17.564 -6.471 -0.628 1.00 0.00 N ATOM 626 CA LYS C 1 18.346 -5.621 0.268 1.00 0.00 C ATOM 627 C LYS C 1 18.503 -4.234 -0.331 1.00 0.00 C ATOM 628 O LYS C 1 19.306 -3.425 0.141 1.00 0.00 O ATOM 629 CB LYS C 1 19.726 -6.236 0.511 1.00 0.00 C ATOM 630 CG LYS C 1 19.571 -7.530 1.311 1.00 0.00 C ATOM 631 CD LYS C 1 20.948 -8.148 1.554 1.00 0.00 C ATOM 632 CE LYS C 1 20.794 -9.427 2.380 1.00 0.00 C ATOM 633 NZ LYS C 1 19.974 -10.410 1.618 1.00 0.00 N ATOM 0 H3 LYS C 1 17.190 -7.283 -0.097 1.00 0.00 H new ATOM 0 HA LYS C 1 17.819 -5.542 1.219 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.218 -6.440 -0.440 1.00 0.00 H new ATOM 0 HB3 LYS C 1 20.359 -5.534 1.053 1.00 0.00 H new ATOM 0 HG2 LYS C 1 19.080 -7.325 2.262 1.00 0.00 H new ATOM 0 HG3 LYS C 1 18.937 -8.231 0.769 1.00 0.00 H new ATOM 0 HD2 LYS C 1 21.431 -8.372 0.603 1.00 0.00 H new ATOM 0 HD3 LYS C 1 21.589 -7.439 2.078 1.00 0.00 H new ATOM 0 HE2 LYS C 1 21.774 -9.849 2.604 1.00 0.00 H new ATOM 0 HE3 LYS C 1 20.318 -9.202 3.335 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 20.115 -11.361 2.015 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 18.969 -10.151 1.687 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 20.265 -10.405 0.619 1.00 0.00 H new ATOM 647 N ASN C 2 17.748 -3.976 -1.389 1.00 0.00 N ATOM 648 CA ASN C 2 17.832 -2.695 -2.063 1.00 0.00 C ATOM 649 C ASN C 2 17.359 -1.558 -1.148 1.00 0.00 C ATOM 650 O ASN C 2 16.551 -1.778 -0.244 1.00 0.00 O ATOM 651 CB ASN C 2 16.984 -2.707 -3.340 1.00 0.00 C ATOM 652 CG ASN C 2 15.519 -2.917 -2.992 1.00 0.00 C ATOM 653 OD1 ASN C 2 14.663 -2.900 -3.876 1.00 0.00 O ATOM 654 ND2 ASN C 2 15.176 -3.099 -1.748 1.00 0.00 N ATOM 0 H ASN C 2 17.078 -4.631 -1.793 1.00 0.00 H new ATOM 0 HA ASN C 2 18.877 -2.524 -2.322 1.00 0.00 H new ATOM 0 HB2 ASN C 2 17.107 -1.766 -3.877 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.325 -3.500 -4.005 1.00 0.00 H new ATOM 0 HD21 ASN C 2 14.194 -3.228 -1.503 1.00 0.00 H new ATOM 0 HD22 ASN C 2 15.889 -3.112 -1.019 1.00 0.00 H new ATOM 661 N PRO C 3 17.828 -0.348 -1.371 1.00 0.00 N ATOM 662 CA PRO C 3 17.420 0.836 -0.547 1.00 0.00 C ATOM 663 C PRO C 3 15.899 1.038 -0.545 1.00 0.00 C ATOM 664 O PRO C 3 15.339 1.620 0.384 1.00 0.00 O ATOM 665 CB PRO C 3 18.123 2.020 -1.239 1.00 0.00 C ATOM 666 CG PRO C 3 19.268 1.417 -1.979 1.00 0.00 C ATOM 667 CD PRO C 3 18.807 0.036 -2.412 1.00 0.00 C ATOM 0 HA PRO C 3 17.696 0.720 0.501 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.445 2.538 -1.917 1.00 0.00 H new ATOM 0 HB3 PRO C 3 18.468 2.754 -0.510 1.00 0.00 H new ATOM 0 HG2 PRO C 3 19.539 2.026 -2.841 1.00 0.00 H new ATOM 0 HG3 PRO C 3 20.152 1.352 -1.344 1.00 0.00 H new ATOM 0 HD2 PRO C 3 18.351 0.058 -3.402 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.638 -0.667 -2.459 1.00 0.00 H new ATOM 675 N GLU C 4 15.243 0.561 -1.597 1.00 0.00 N ATOM 676 CA GLU C 4 13.796 0.706 -1.717 1.00 0.00 C ATOM 677 C GLU C 4 13.093 -0.027 -0.576 1.00 0.00 C ATOM 678 O GLU C 4 11.911 0.205 -0.305 1.00 0.00 O ATOM 679 CB GLU C 4 13.323 0.144 -3.060 1.00 0.00 C ATOM 680 CG GLU C 4 13.877 1.006 -4.197 1.00 0.00 C ATOM 681 CD GLU C 4 13.459 0.424 -5.543 1.00 0.00 C ATOM 682 OE1 GLU C 4 13.825 0.999 -6.555 1.00 0.00 O ATOM 683 OE2 GLU C 4 12.777 -0.588 -5.543 1.00 0.00 O ATOM 0 H GLU C 4 15.687 0.073 -2.375 1.00 0.00 H new ATOM 0 HA GLU C 4 13.547 1.766 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.659 -0.887 -3.174 1.00 0.00 H new ATOM 0 HB3 GLU C 4 12.234 0.130 -3.097 1.00 0.00 H new ATOM 0 HG2 GLU C 4 13.509 2.028 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU C 4 14.964 1.052 -4.133 1.00 0.00 H new ATOM 690 N ALA C 5 13.828 -0.909 0.093 1.00 0.00 N ATOM 691 CA ALA C 5 13.268 -1.674 1.200 1.00 0.00 C ATOM 692 C ALA C 5 12.750 -0.731 2.283 1.00 0.00 C ATOM 693 O ALA C 5 11.810 -1.058 3.006 1.00 0.00 O ATOM 694 CB ALA C 5 14.337 -2.598 1.791 1.00 0.00 C ATOM 0 H ALA C 5 14.807 -1.111 -0.111 1.00 0.00 H new ATOM 0 HA ALA C 5 12.440 -2.275 0.826 1.00 0.00 H new ATOM 0 HB1 ALA C 5 13.910 -3.166 2.618 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.689 -3.285 1.022 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.173 -2.001 2.155 1.00 0.00 H new ATOM 700 N GLU C 6 13.362 0.443 2.384 1.00 0.00 N ATOM 701 CA GLU C 6 12.944 1.425 3.376 1.00 0.00 C ATOM 702 C GLU C 6 11.503 1.858 3.114 1.00 0.00 C ATOM 703 O GLU C 6 10.726 2.067 4.046 1.00 0.00 O ATOM 704 CB GLU C 6 13.865 2.647 3.320 1.00 0.00 C ATOM 705 CG GLU C 6 15.252 2.263 3.837 1.00 0.00 C ATOM 706 CD GLU C 6 16.209 3.441 3.690 1.00 0.00 C ATOM 707 OE1 GLU C 6 17.340 3.320 4.132 1.00 0.00 O ATOM 708 OE2 GLU C 6 15.798 4.447 3.136 1.00 0.00 O ATOM 0 H GLU C 6 14.143 0.736 1.797 1.00 0.00 H new ATOM 0 HA GLU C 6 13.005 0.971 4.365 1.00 0.00 H new ATOM 0 HB2 GLU C 6 13.936 3.016 2.297 1.00 0.00 H new ATOM 0 HB3 GLU C 6 13.451 3.456 3.923 1.00 0.00 H new ATOM 0 HG2 GLU C 6 15.189 1.964 4.883 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.631 1.405 3.282 1.00 0.00 H new ATOM 715 N GLU C 7 11.153 1.997 1.837 1.00 0.00 N ATOM 716 CA GLU C 7 9.804 2.414 1.468 1.00 0.00 C ATOM 717 C GLU C 7 8.792 1.371 1.944 1.00 0.00 C ATOM 718 O GLU C 7 7.712 1.707 2.428 1.00 0.00 O ATOM 719 CB GLU C 7 9.704 2.588 -0.055 1.00 0.00 C ATOM 720 CG GLU C 7 8.584 3.579 -0.383 1.00 0.00 C ATOM 721 CD GLU C 7 7.266 3.097 0.216 1.00 0.00 C ATOM 722 OE1 GLU C 7 6.595 3.903 0.847 1.00 0.00 O ATOM 723 OE2 GLU C 7 6.946 1.934 0.038 1.00 0.00 O ATOM 0 H GLU C 7 11.778 1.829 1.049 1.00 0.00 H new ATOM 0 HA GLU C 7 9.583 3.369 1.945 1.00 0.00 H new ATOM 0 HB2 GLU C 7 10.652 2.949 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU C 7 9.504 1.627 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU C 7 8.833 4.564 0.011 1.00 0.00 H new ATOM 0 HG3 GLU C 7 8.485 3.683 -1.463 1.00 0.00 H new ATOM 730 N ILE C 8 9.159 0.104 1.808 1.00 0.00 N ATOM 731 CA ILE C 8 8.284 -0.986 2.243 1.00 0.00 C ATOM 732 C ILE C 8 8.052 -0.900 3.752 1.00 0.00 C ATOM 733 O ILE C 8 6.938 -1.110 4.234 1.00 0.00 O ATOM 734 CB ILE C 8 8.899 -2.347 1.874 1.00 0.00 C ATOM 735 CG1 ILE C 8 8.642 -2.644 0.389 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.277 -3.460 2.732 1.00 0.00 C ATOM 737 CD1 ILE C 8 9.112 -1.465 -0.463 1.00 0.00 C ATOM 0 H ILE C 8 10.046 -0.197 1.405 1.00 0.00 H new ATOM 0 HA ILE C 8 7.325 -0.891 1.733 1.00 0.00 H new ATOM 0 HB ILE C 8 9.972 -2.311 2.060 1.00 0.00 H new ATOM 0 HG12 ILE C 8 9.169 -3.551 0.093 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.580 -2.824 0.223 1.00 0.00 H new ATOM 0 HG21 ILE C 8 8.720 -4.418 2.462 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.467 -3.256 3.786 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.202 -3.496 2.558 1.00 0.00 H new ATOM 0 HD11 ILE C 8 8.928 -1.680 -1.515 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.565 -0.567 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE C 8 10.179 -1.306 -0.307 1.00 0.00 H new ATOM 749 N THR C 9 9.110 -0.604 4.487 1.00 0.00 N ATOM 750 CA THR C 9 9.013 -0.512 5.935 1.00 0.00 C ATOM 751 C THR C 9 7.997 0.560 6.322 1.00 0.00 C ATOM 752 O THR C 9 7.197 0.367 7.240 1.00 0.00 O ATOM 753 CB THR C 9 10.382 -0.166 6.529 1.00 0.00 C ATOM 754 OG1 THR C 9 11.308 -1.193 6.208 1.00 0.00 O ATOM 755 CG2 THR C 9 10.266 -0.039 8.049 1.00 0.00 C ATOM 0 H THR C 9 10.040 -0.424 4.109 1.00 0.00 H new ATOM 0 HA THR C 9 8.685 -1.474 6.329 1.00 0.00 H new ATOM 0 HB THR C 9 10.729 0.780 6.114 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.509 -1.165 5.249 1.00 0.00 H new ATOM 0 HG21 THR C 9 11.241 0.207 8.469 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.555 0.750 8.295 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.919 -0.984 8.468 1.00 0.00 H new ATOM 763 N ARG C 10 8.029 1.681 5.612 1.00 0.00 N ATOM 764 CA ARG C 10 7.097 2.769 5.884 1.00 0.00 C ATOM 765 C ARG C 10 5.662 2.294 5.666 1.00 0.00 C ATOM 766 O ARG C 10 4.767 2.606 6.450 1.00 0.00 O ATOM 767 CB ARG C 10 7.396 3.955 4.964 1.00 0.00 C ATOM 768 CG ARG C 10 6.452 5.111 5.298 1.00 0.00 C ATOM 769 CD ARG C 10 6.848 6.340 4.481 1.00 0.00 C ATOM 770 NE ARG C 10 6.684 6.076 3.056 1.00 0.00 N ATOM 771 CZ ARG C 10 7.138 6.932 2.145 1.00 0.00 C ATOM 772 NH1 ARG C 10 6.985 6.674 0.876 1.00 0.00 N ATOM 773 NH2 ARG C 10 7.738 8.030 2.520 1.00 0.00 N ATOM 0 H ARG C 10 8.683 1.860 4.850 1.00 0.00 H new ATOM 0 HA ARG C 10 7.214 3.084 6.921 1.00 0.00 H new ATOM 0 HB2 ARG C 10 8.432 4.271 5.086 1.00 0.00 H new ATOM 0 HB3 ARG C 10 7.273 3.660 3.922 1.00 0.00 H new ATOM 0 HG2 ARG C 10 5.422 4.830 5.077 1.00 0.00 H new ATOM 0 HG3 ARG C 10 6.499 5.338 6.363 1.00 0.00 H new ATOM 0 HD2 ARG C 10 6.234 7.192 4.773 1.00 0.00 H new ATOM 0 HD3 ARG C 10 7.884 6.606 4.691 1.00 0.00 H new ATOM 0 HE ARG C 10 6.214 5.223 2.754 1.00 0.00 H new ATOM 0 HH11 ARG C 10 6.517 5.816 0.583 1.00 0.00 H new ATOM 0 HH12 ARG C 10 7.333 7.330 0.177 1.00 0.00 H new ATOM 0 HH21 ARG C 10 7.859 8.232 3.513 1.00 0.00 H new ATOM 0 HH22 ARG C 10 8.086 8.686 1.820 1.00 0.00 H new ATOM 787 N CYS C 11 5.451 1.531 4.599 1.00 0.00 N ATOM 788 CA CYS C 11 4.123 1.012 4.298 1.00 0.00 C ATOM 789 C CYS C 11 3.670 0.052 5.396 1.00 0.00 C ATOM 790 O CYS C 11 2.493 0.008 5.746 1.00 0.00 O ATOM 791 CB CYS C 11 4.146 0.284 2.949 1.00 0.00 C ATOM 792 SG CYS C 11 3.733 1.439 1.620 1.00 0.00 S ATOM 0 H CYS C 11 6.175 1.260 3.934 1.00 0.00 H new ATOM 0 HA CYS C 11 3.421 1.845 4.247 1.00 0.00 H new ATOM 0 HB2 CYS C 11 5.132 -0.147 2.775 1.00 0.00 H new ATOM 0 HB3 CYS C 11 3.435 -0.542 2.959 1.00 0.00 H new ATOM 797 N LYS C 12 4.611 -0.716 5.930 1.00 0.00 N ATOM 798 CA LYS C 12 4.287 -1.674 6.976 1.00 0.00 C ATOM 799 C LYS C 12 3.683 -0.953 8.176 1.00 0.00 C ATOM 800 O LYS C 12 2.680 -1.396 8.737 1.00 0.00 O ATOM 801 CB LYS C 12 5.553 -2.423 7.401 1.00 0.00 C ATOM 802 CG LYS C 12 5.198 -3.484 8.444 1.00 0.00 C ATOM 803 CD LYS C 12 6.453 -4.273 8.818 1.00 0.00 C ATOM 804 CE LYS C 12 6.100 -5.319 9.877 1.00 0.00 C ATOM 805 NZ LYS C 12 5.113 -6.284 9.311 1.00 0.00 N ATOM 0 H LYS C 12 5.594 -0.695 5.659 1.00 0.00 H new ATOM 0 HA LYS C 12 3.560 -2.389 6.591 1.00 0.00 H new ATOM 0 HB2 LYS C 12 6.018 -2.893 6.534 1.00 0.00 H new ATOM 0 HB3 LYS C 12 6.280 -1.723 7.813 1.00 0.00 H new ATOM 0 HG2 LYS C 12 4.776 -3.011 9.330 1.00 0.00 H new ATOM 0 HG3 LYS C 12 4.437 -4.157 8.049 1.00 0.00 H new ATOM 0 HD2 LYS C 12 6.867 -4.759 7.935 1.00 0.00 H new ATOM 0 HD3 LYS C 12 7.220 -3.598 9.199 1.00 0.00 H new ATOM 0 HE2 LYS C 12 6.999 -5.847 10.197 1.00 0.00 H new ATOM 0 HE3 LYS C 12 5.685 -4.833 10.760 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 5.124 -7.160 9.871 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 4.161 -5.865 9.342 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 5.365 -6.500 8.325 1.00 0.00 H new ATOM 819 N LYS C 13 4.291 0.164 8.557 1.00 0.00 N ATOM 820 CA LYS C 13 3.792 0.944 9.683 1.00 0.00 C ATOM 821 C LYS C 13 2.392 1.472 9.383 1.00 0.00 C ATOM 822 O LYS C 13 1.522 1.481 10.252 1.00 0.00 O ATOM 823 CB LYS C 13 4.735 2.112 9.972 1.00 0.00 C ATOM 824 CG LYS C 13 6.047 1.576 10.546 1.00 0.00 C ATOM 825 CD LYS C 13 6.996 2.743 10.824 1.00 0.00 C ATOM 826 CE LYS C 13 8.320 2.206 11.369 1.00 0.00 C ATOM 827 NZ LYS C 13 8.074 1.497 12.657 1.00 0.00 N ATOM 0 H LYS C 13 5.123 0.547 8.108 1.00 0.00 H new ATOM 0 HA LYS C 13 3.745 0.298 10.560 1.00 0.00 H new ATOM 0 HB2 LYS C 13 4.928 2.673 9.057 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.272 2.802 10.677 1.00 0.00 H new ATOM 0 HG2 LYS C 13 5.855 1.022 11.465 1.00 0.00 H new ATOM 0 HG3 LYS C 13 6.506 0.879 9.844 1.00 0.00 H new ATOM 0 HD2 LYS C 13 7.170 3.310 9.909 1.00 0.00 H new ATOM 0 HD3 LYS C 13 6.546 3.428 11.542 1.00 0.00 H new ATOM 0 HE2 LYS C 13 8.774 1.526 10.648 1.00 0.00 H new ATOM 0 HE3 LYS C 13 9.023 3.025 11.521 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 8.963 1.430 13.192 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 7.373 2.025 13.215 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 7.714 0.541 12.464 1.00 0.00 H new ATOM 841 N LEU C 14 2.184 1.909 8.147 1.00 0.00 N ATOM 842 CA LEU C 14 0.885 2.436 7.743 1.00 0.00 C ATOM 843 C LEU C 14 -0.182 1.356 7.840 1.00 0.00 C ATOM 844 O LEU C 14 -1.300 1.614 8.284 1.00 0.00 O ATOM 845 CB LEU C 14 0.966 2.959 6.308 1.00 0.00 C ATOM 846 CG LEU C 14 1.813 4.243 6.267 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.152 4.600 4.806 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.038 5.413 6.910 1.00 0.00 C ATOM 0 H LEU C 14 2.891 1.910 7.412 1.00 0.00 H new ATOM 0 HA LEU C 14 0.614 3.253 8.412 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.406 2.201 5.660 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.035 3.161 5.928 1.00 0.00 H new ATOM 0 HG LEU C 14 2.734 4.072 6.825 1.00 0.00 H new ATOM 0 HD11 LEU C 14 2.752 5.510 4.784 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.714 3.783 4.353 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.230 4.759 4.247 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.648 6.316 6.875 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.111 5.580 6.362 1.00 0.00 H new ATOM 0 HD23 LEU C 14 0.808 5.170 7.947 1.00 0.00 H new ATOM 860 N LEU C 15 0.171 0.148 7.425 1.00 0.00 N ATOM 861 CA LEU C 15 -0.767 -0.966 7.472 1.00 0.00 C ATOM 862 C LEU C 15 -1.147 -1.284 8.913 1.00 0.00 C ATOM 863 O LEU C 15 -2.304 -1.553 9.216 1.00 0.00 O ATOM 864 CB LEU C 15 -0.136 -2.197 6.821 1.00 0.00 C ATOM 865 CG LEU C 15 0.007 -1.966 5.310 1.00 0.00 C ATOM 866 CD1 LEU C 15 0.867 -3.080 4.705 1.00 0.00 C ATOM 867 CD2 LEU C 15 -1.379 -1.952 4.628 1.00 0.00 C ATOM 0 H LEU C 15 1.092 -0.086 7.055 1.00 0.00 H new ATOM 0 HA LEU C 15 -1.669 -0.687 6.927 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.841 -2.394 7.263 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -0.753 -3.076 7.008 1.00 0.00 H new ATOM 0 HG LEU C 15 0.484 -1.000 5.146 1.00 0.00 H new ATOM 0 HD11 LEU C 15 0.970 -2.918 3.632 1.00 0.00 H new ATOM 0 HD12 LEU C 15 1.853 -3.071 5.170 1.00 0.00 H new ATOM 0 HD13 LEU C 15 0.391 -4.044 4.882 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -1.256 -1.787 3.558 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -1.875 -2.908 4.793 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -1.985 -1.151 5.051 1.00 0.00 H new ATOM 879 N ASP C 16 -0.161 -1.243 9.799 1.00 0.00 N ATOM 880 CA ASP C 16 -0.398 -1.526 11.210 1.00 0.00 C ATOM 881 C ASP C 16 -1.359 -0.502 11.804 1.00 0.00 C ATOM 882 O ASP C 16 -2.209 -0.835 12.631 1.00 0.00 O ATOM 883 CB ASP C 16 0.923 -1.503 11.977 1.00 0.00 C ATOM 884 CG ASP C 16 1.759 -2.725 11.612 1.00 0.00 C ATOM 885 OD1 ASP C 16 2.938 -2.726 11.928 1.00 0.00 O ATOM 886 OD2 ASP C 16 1.210 -3.642 11.024 1.00 0.00 O ATOM 0 H ASP C 16 0.807 -1.018 9.568 1.00 0.00 H new ATOM 0 HA ASP C 16 -0.845 -2.517 11.295 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.474 -0.592 11.742 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.730 -1.491 13.050 1.00 0.00 H new ATOM 891 N ASP C 17 -1.216 0.745 11.375 1.00 0.00 N ATOM 892 CA ASP C 17 -2.068 1.822 11.865 1.00 0.00 C ATOM 893 C ASP C 17 -3.514 1.589 11.444 1.00 0.00 C ATOM 894 O ASP C 17 -4.424 2.277 11.906 1.00 0.00 O ATOM 895 CB ASP C 17 -1.584 3.171 11.328 1.00 0.00 C ATOM 896 CG ASP C 17 -0.274 3.562 12.004 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.373 4.472 11.514 1.00 0.00 O ATOM 898 OD2 ASP C 17 0.062 2.946 13.003 1.00 0.00 O ATOM 0 H ASP C 17 -0.519 1.036 10.690 1.00 0.00 H new ATOM 0 HA ASP C 17 -2.013 1.833 12.954 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.443 3.113 10.249 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.339 3.936 11.510 1.00 0.00 H new ATOM 903 N SER C 18 -3.720 0.623 10.554 1.00 0.00 N ATOM 904 CA SER C 18 -5.059 0.325 10.068 1.00 0.00 C ATOM 905 C SER C 18 -5.979 -0.032 11.224 1.00 0.00 C ATOM 906 O SER C 18 -7.176 0.250 11.189 1.00 0.00 O ATOM 907 CB SER C 18 -4.999 -0.842 9.080 1.00 0.00 C ATOM 908 OG SER C 18 -4.550 -2.010 9.759 1.00 0.00 O ATOM 0 H SER C 18 -2.983 0.039 10.159 1.00 0.00 H new ATOM 0 HA SER C 18 -5.454 1.209 9.567 1.00 0.00 H new ATOM 0 HB2 SER C 18 -5.983 -1.016 8.645 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.324 -0.603 8.258 1.00 0.00 H new ATOM 0 HG SER C 18 -3.581 -1.956 9.897 1.00 0.00 H new ATOM 914 N SER C 19 -5.410 -0.642 12.244 1.00 0.00 N ATOM 915 CA SER C 19 -6.187 -1.027 13.425 1.00 0.00 C ATOM 916 C SER C 19 -6.312 0.142 14.392 1.00 0.00 C ATOM 917 O SER C 19 -7.130 0.122 15.310 1.00 0.00 O ATOM 918 CB SER C 19 -5.526 -2.210 14.134 1.00 0.00 C ATOM 919 OG SER C 19 -5.543 -3.343 13.279 1.00 0.00 O ATOM 0 H SER C 19 -4.420 -0.884 12.288 1.00 0.00 H new ATOM 0 HA SER C 19 -7.184 -1.318 13.094 1.00 0.00 H new ATOM 0 HB2 SER C 19 -4.500 -1.959 14.403 1.00 0.00 H new ATOM 0 HB3 SER C 19 -6.053 -2.433 15.061 1.00 0.00 H new ATOM 0 HG SER C 19 -5.118 -4.101 13.732 1.00 0.00 H new ATOM 925 N SER C 20 -5.497 1.158 14.169 1.00 0.00 N ATOM 926 CA SER C 20 -5.513 2.352 15.014 1.00 0.00 C ATOM 927 C SER C 20 -6.642 3.293 14.607 1.00 0.00 C ATOM 928 O SER C 20 -7.026 3.350 13.439 1.00 0.00 O ATOM 929 CB SER C 20 -4.177 3.088 14.923 1.00 0.00 C ATOM 930 OG SER C 20 -3.120 2.180 15.204 1.00 0.00 O ATOM 0 H SER C 20 -4.814 1.186 13.412 1.00 0.00 H new ATOM 0 HA SER C 20 -5.678 2.031 16.042 1.00 0.00 H new ATOM 0 HB2 SER C 20 -4.051 3.514 13.928 1.00 0.00 H new ATOM 0 HB3 SER C 20 -4.157 3.917 15.630 1.00 0.00 H new ATOM 0 HG SER C 20 -2.262 2.649 15.145 1.00 0.00 H new TER 936 SER C 20 HETATM 937 C1 ZBR A 100 0.353 0.309 -2.032 1.00 0.00 C HETATM 938 C2 ZBR A 100 -0.666 0.773 -1.188 1.00 0.00 C HETATM 939 C3 ZBR A 100 -0.379 1.067 0.167 1.00 0.00 C HETATM 940 C4 ZBR A 100 0.919 0.892 0.672 1.00 0.00 C HETATM 941 C5 ZBR A 100 1.948 0.422 -0.179 1.00 0.00 C HETATM 942 C6 ZBR A 100 1.668 0.130 -1.528 1.00 0.00 C HETATM 943 C7 ZBR A 100 0.010 0.000 -3.469 1.00 0.00 C HETATM 944 C8 ZBR A 100 -1.454 1.559 1.108 1.00 0.00 C HETATM 945 C9 ZBR A 100 3.353 0.217 0.334 1.00 0.00 C HETATM 0 H6 ZBR A 100 2.459 -0.233 -2.184 1.00 0.00 H new HETATM 0 H4 ZBR A 100 1.134 1.117 1.717 1.00 0.00 H new HETATM 0 H2 ZBR A 100 -1.677 0.907 -1.574 1.00 0.00 H new