USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 602 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 Set 1.1: A 20 SER OG : rot 5:sc= -0.533! USER MOD Set 1.2: A 39 MET CE :methyl -161:sc= 0 (180deg=-0.521) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0134) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -19:sc= -4.43! USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 18 ASN : amide:sc= -1.21 K(o=-1.2,f=-1.8) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0388) USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00998) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -111:sc= 0.231 USER MOD Single : A 31 SER OG : rot -52:sc= 0.102 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= -0.0579 (180deg=-0.325) USER MOD Single : A 38 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 46 THR OG1 : rot -86:sc= 1.14 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.223 USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= -0.0186 (180deg=-0.192) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -36:sc= 0.631 USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= -0.0915 (180deg=-0.515) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 1.06 (180deg=0.893) USER MOD Single : A 74 SER OG : rot 46:sc= 0.385 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.547 -17.083 -8.295 1.00 0.00 N ATOM 2 CA MET A 1 -10.125 -16.694 -8.176 1.00 0.00 C ATOM 3 C MET A 1 -9.782 -16.421 -6.723 1.00 0.00 C ATOM 4 O MET A 1 -10.112 -15.364 -6.181 1.00 0.00 O ATOM 5 CB MET A 1 -9.821 -15.463 -9.035 1.00 0.00 C ATOM 6 CG MET A 1 -9.811 -15.749 -10.528 1.00 0.00 C ATOM 7 SD MET A 1 -9.507 -14.271 -11.516 1.00 0.00 S ATOM 8 CE MET A 1 -9.503 -14.965 -13.168 1.00 0.00 C ATOM 0 H1 MET A 1 -11.753 -17.350 -9.279 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.739 -17.891 -7.669 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.150 -16.282 -8.020 1.00 0.00 H new ATOM 0 HA MET A 1 -9.511 -17.519 -8.538 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.563 -14.693 -8.826 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.851 -15.058 -8.745 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.044 -16.492 -10.747 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.768 -16.184 -10.817 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.326 -14.172 -13.895 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.713 -15.712 -13.247 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.467 -15.433 -13.368 1.00 0.00 H new ATOM 20 N SER A 2 -9.136 -17.385 -6.091 1.00 0.00 N ATOM 21 CA SER A 2 -8.816 -17.289 -4.679 1.00 0.00 C ATOM 22 C SER A 2 -7.532 -16.495 -4.457 1.00 0.00 C ATOM 23 O SER A 2 -6.429 -17.043 -4.522 1.00 0.00 O ATOM 24 CB SER A 2 -8.694 -18.688 -4.076 1.00 0.00 C ATOM 25 OG SER A 2 -9.884 -19.433 -4.284 1.00 0.00 O ATOM 0 H SER A 2 -8.822 -18.247 -6.537 1.00 0.00 H new ATOM 0 HA SER A 2 -9.625 -16.757 -4.179 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.850 -19.210 -4.526 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.489 -18.612 -3.008 1.00 0.00 H new ATOM 0 HG SER A 2 -9.784 -20.326 -3.892 1.00 0.00 H new ATOM 31 N ILE A 3 -7.688 -15.198 -4.220 1.00 0.00 N ATOM 32 CA ILE A 3 -6.567 -14.321 -3.923 1.00 0.00 C ATOM 33 C ILE A 3 -6.996 -13.239 -2.939 1.00 0.00 C ATOM 34 O ILE A 3 -7.239 -12.087 -3.307 1.00 0.00 O ATOM 35 CB ILE A 3 -5.951 -13.655 -5.181 1.00 0.00 C ATOM 36 CG1 ILE A 3 -7.040 -13.068 -6.082 1.00 0.00 C ATOM 37 CG2 ILE A 3 -5.084 -14.642 -5.952 1.00 0.00 C ATOM 38 CD1 ILE A 3 -6.491 -12.263 -7.239 1.00 0.00 C ATOM 0 H ILE A 3 -8.593 -14.728 -4.229 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.794 -14.954 -3.487 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.314 -12.836 -4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.655 -13.879 -6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.693 -12.432 -5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.664 -14.150 -6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.275 -14.993 -5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.691 -15.490 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.316 -11.876 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.900 -11.432 -6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.861 -12.901 -7.859 1.00 0.00 H new ATOM 50 N GLU A 4 -7.140 -13.633 -1.690 1.00 0.00 N ATOM 51 CA GLU A 4 -7.496 -12.693 -0.641 1.00 0.00 C ATOM 52 C GLU A 4 -6.268 -11.946 -0.166 1.00 0.00 C ATOM 53 O GLU A 4 -5.478 -12.455 0.627 1.00 0.00 O ATOM 54 CB GLU A 4 -8.168 -13.398 0.529 1.00 0.00 C ATOM 55 CG GLU A 4 -9.529 -13.954 0.182 1.00 0.00 C ATOM 56 CD GLU A 4 -10.018 -14.967 1.194 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.214 -14.595 2.371 1.00 0.00 O ATOM 58 OE2 GLU A 4 -10.212 -16.142 0.821 1.00 0.00 O ATOM 0 H GLU A 4 -7.017 -14.595 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.207 -11.980 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.527 -14.210 0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.269 -12.698 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.246 -13.136 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.487 -14.420 -0.802 1.00 0.00 H new ATOM 65 N VAL A 5 -6.109 -10.744 -0.676 1.00 0.00 N ATOM 66 CA VAL A 5 -4.971 -9.917 -0.328 1.00 0.00 C ATOM 67 C VAL A 5 -5.321 -9.020 0.850 1.00 0.00 C ATOM 68 O VAL A 5 -6.289 -8.261 0.796 1.00 0.00 O ATOM 69 CB VAL A 5 -4.523 -9.043 -1.517 1.00 0.00 C ATOM 70 CG1 VAL A 5 -3.169 -8.419 -1.237 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.484 -9.851 -2.807 1.00 0.00 C ATOM 0 H VAL A 5 -6.757 -10.315 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.149 -10.581 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.254 -8.244 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.868 -7.806 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.233 -7.797 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.432 -9.206 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.165 -9.210 -3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.781 -10.677 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.478 -10.245 -3.019 1.00 0.00 H new ATOM 81 N ARG A 6 -4.550 -9.126 1.920 1.00 0.00 N ATOM 82 CA ARG A 6 -4.781 -8.315 3.107 1.00 0.00 C ATOM 83 C ARG A 6 -3.475 -7.660 3.538 1.00 0.00 C ATOM 84 O ARG A 6 -2.398 -8.107 3.142 1.00 0.00 O ATOM 85 CB ARG A 6 -5.341 -9.156 4.264 1.00 0.00 C ATOM 86 CG ARG A 6 -6.450 -10.127 3.876 1.00 0.00 C ATOM 87 CD ARG A 6 -5.890 -11.521 3.655 1.00 0.00 C ATOM 88 NE ARG A 6 -6.929 -12.548 3.576 1.00 0.00 N ATOM 89 CZ ARG A 6 -6.669 -13.858 3.597 1.00 0.00 C ATOM 90 NH1 ARG A 6 -5.414 -14.284 3.686 1.00 0.00 N ATOM 91 NH2 ARG A 6 -7.658 -14.742 3.519 1.00 0.00 N ATOM 0 H ARG A 6 -3.758 -9.765 1.992 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.518 -7.552 2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.523 -9.721 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.721 -8.483 5.032 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.207 -10.154 4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.943 -9.780 2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.307 -11.531 2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.206 -11.765 4.468 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.901 -12.248 3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.649 -13.611 3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.215 -15.284 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.623 -14.422 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.452 -15.741 3.536 1.00 0.00 H new ATOM 105 N ASP A 7 -3.568 -6.622 4.360 1.00 0.00 N ATOM 106 CA ASP A 7 -2.388 -5.890 4.805 1.00 0.00 C ATOM 107 C ASP A 7 -1.739 -6.616 5.978 1.00 0.00 C ATOM 108 O ASP A 7 -2.061 -7.774 6.251 1.00 0.00 O ATOM 109 CB ASP A 7 -2.784 -4.470 5.219 1.00 0.00 C ATOM 110 CG ASP A 7 -3.439 -4.430 6.581 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.491 -5.076 6.767 1.00 0.00 O ATOM 112 OD2 ASP A 7 -2.875 -3.780 7.484 1.00 0.00 O ATOM 0 H ASP A 7 -4.449 -6.268 4.732 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.672 -5.833 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.898 -3.836 5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.467 -4.055 4.478 1.00 0.00 H new ATOM 117 N CYS A 8 -0.839 -5.937 6.678 1.00 0.00 N ATOM 118 CA CYS A 8 -0.163 -6.524 7.829 1.00 0.00 C ATOM 119 C CYS A 8 -1.161 -6.830 8.946 1.00 0.00 C ATOM 120 O CYS A 8 -0.927 -7.698 9.784 1.00 0.00 O ATOM 121 CB CYS A 8 0.915 -5.574 8.343 1.00 0.00 C ATOM 122 SG CYS A 8 0.276 -3.980 8.910 1.00 0.00 S ATOM 0 H CYS A 8 -0.560 -4.978 6.469 1.00 0.00 H new ATOM 0 HA CYS A 8 0.301 -7.458 7.514 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.447 -6.054 9.164 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.642 -5.402 7.549 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.909 -3.785 8.411 1.00 0.00 H new ATOM 128 N ASN A 9 -2.265 -6.093 8.956 1.00 0.00 N ATOM 129 CA ASN A 9 -3.330 -6.304 9.927 1.00 0.00 C ATOM 130 C ASN A 9 -4.114 -7.550 9.581 1.00 0.00 C ATOM 131 O ASN A 9 -4.309 -8.440 10.411 1.00 0.00 O ATOM 132 CB ASN A 9 -4.295 -5.119 9.915 1.00 0.00 C ATOM 133 CG ASN A 9 -5.256 -5.124 11.092 1.00 0.00 C ATOM 134 OD1 ASN A 9 -4.952 -5.647 12.166 1.00 0.00 O ATOM 135 ND2 ASN A 9 -6.428 -4.535 10.900 1.00 0.00 N ATOM 0 H ASN A 9 -2.446 -5.337 8.296 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.874 -6.409 10.911 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.723 -4.191 9.924 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.866 -5.132 8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.113 -4.504 11.655 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.645 -4.113 9.997 1.00 0.00 H new ATOM 142 N GLY A 10 -4.552 -7.599 8.337 1.00 0.00 N ATOM 143 CA GLY A 10 -5.438 -8.647 7.901 1.00 0.00 C ATOM 144 C GLY A 10 -6.680 -8.073 7.258 1.00 0.00 C ATOM 145 O GLY A 10 -7.663 -8.779 7.042 1.00 0.00 O ATOM 0 H GLY A 10 -4.305 -6.922 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.922 -9.293 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.718 -9.269 8.751 1.00 0.00 H new ATOM 149 N ALA A 11 -6.640 -6.778 6.963 1.00 0.00 N ATOM 150 CA ALA A 11 -7.746 -6.117 6.299 1.00 0.00 C ATOM 151 C ALA A 11 -7.602 -6.267 4.794 1.00 0.00 C ATOM 152 O ALA A 11 -6.523 -6.052 4.242 1.00 0.00 O ATOM 153 CB ALA A 11 -7.807 -4.649 6.694 1.00 0.00 C ATOM 0 H ALA A 11 -5.850 -6.169 7.176 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.680 -6.585 6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.644 -4.170 6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.943 -4.568 7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.878 -4.156 6.408 1.00 0.00 H new ATOM 159 N LEU A 12 -8.686 -6.646 4.140 1.00 0.00 N ATOM 160 CA LEU A 12 -8.657 -6.945 2.715 1.00 0.00 C ATOM 161 C LEU A 12 -8.432 -5.695 1.867 1.00 0.00 C ATOM 162 O LEU A 12 -8.892 -4.595 2.201 1.00 0.00 O ATOM 163 CB LEU A 12 -9.946 -7.653 2.300 1.00 0.00 C ATOM 164 CG LEU A 12 -10.000 -9.146 2.641 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.435 -9.641 2.658 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.190 -9.946 1.633 1.00 0.00 C ATOM 0 H LEU A 12 -9.603 -6.755 4.574 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.810 -7.608 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.788 -7.155 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.078 -7.536 1.224 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.572 -9.285 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.451 -10.703 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.002 -9.088 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.884 -9.488 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.237 -11.005 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.599 -9.794 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.152 -9.613 1.654 1.00 0.00 H new ATOM 178 N LEU A 13 -7.710 -5.886 0.773 1.00 0.00 N ATOM 179 CA LEU A 13 -7.387 -4.816 -0.158 1.00 0.00 C ATOM 180 C LEU A 13 -8.045 -5.071 -1.512 1.00 0.00 C ATOM 181 O LEU A 13 -8.560 -6.164 -1.763 1.00 0.00 O ATOM 182 CB LEU A 13 -5.869 -4.728 -0.332 1.00 0.00 C ATOM 183 CG LEU A 13 -5.089 -4.340 0.926 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.595 -4.517 0.702 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.396 -2.904 1.319 1.00 0.00 C ATOM 0 H LEU A 13 -7.330 -6.794 0.505 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.764 -3.875 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.503 -5.693 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.651 -4.001 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.398 -4.997 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.056 -4.236 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.384 -5.559 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.273 -3.882 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.833 -2.644 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.112 -2.236 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.463 -2.801 1.518 1.00 0.00 H new ATOM 197 N ALA A 14 -8.012 -4.069 -2.380 1.00 0.00 N ATOM 198 CA ALA A 14 -8.573 -4.183 -3.722 1.00 0.00 C ATOM 199 C ALA A 14 -7.961 -3.128 -4.635 1.00 0.00 C ATOM 200 O ALA A 14 -7.174 -2.303 -4.178 1.00 0.00 O ATOM 201 CB ALA A 14 -10.086 -4.033 -3.678 1.00 0.00 C ATOM 0 H ALA A 14 -7.599 -3.159 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.336 -5.170 -4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.490 -4.120 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.511 -4.814 -3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.343 -3.056 -3.268 1.00 0.00 H new ATOM 207 N ASP A 15 -8.302 -3.165 -5.919 1.00 0.00 N ATOM 208 CA ASP A 15 -7.844 -2.137 -6.850 1.00 0.00 C ATOM 209 C ASP A 15 -8.498 -0.802 -6.523 1.00 0.00 C ATOM 210 O ASP A 15 -9.723 -0.669 -6.571 1.00 0.00 O ATOM 211 CB ASP A 15 -8.142 -2.526 -8.301 1.00 0.00 C ATOM 212 CG ASP A 15 -7.740 -1.440 -9.286 1.00 0.00 C ATOM 213 OD1 ASP A 15 -6.531 -1.197 -9.459 1.00 0.00 O ATOM 214 OD2 ASP A 15 -8.636 -0.831 -9.909 1.00 0.00 O ATOM 0 H ASP A 15 -8.888 -3.888 -6.337 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.764 -2.044 -6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.612 -3.447 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.207 -2.733 -8.407 1.00 0.00 H new ATOM 219 N GLY A 16 -7.676 0.172 -6.168 1.00 0.00 N ATOM 220 CA GLY A 16 -8.179 1.470 -5.780 1.00 0.00 C ATOM 221 C GLY A 16 -8.097 1.680 -4.284 1.00 0.00 C ATOM 222 O GLY A 16 -8.661 2.636 -3.749 1.00 0.00 O ATOM 0 H GLY A 16 -6.660 0.084 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.609 2.248 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.215 1.571 -6.105 1.00 0.00 H new ATOM 226 N ASP A 17 -7.394 0.778 -3.611 1.00 0.00 N ATOM 227 CA ASP A 17 -7.251 0.836 -2.161 1.00 0.00 C ATOM 228 C ASP A 17 -6.002 1.626 -1.790 1.00 0.00 C ATOM 229 O ASP A 17 -5.225 2.014 -2.667 1.00 0.00 O ATOM 230 CB ASP A 17 -7.160 -0.577 -1.582 1.00 0.00 C ATOM 231 CG ASP A 17 -7.905 -0.720 -0.275 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.355 -0.349 0.779 1.00 0.00 O ATOM 233 OD2 ASP A 17 -9.054 -1.213 -0.297 1.00 0.00 O ATOM 0 H ASP A 17 -6.911 -0.007 -4.049 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.126 1.334 -1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.562 -1.288 -2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.112 -0.836 -1.429 1.00 0.00 H new ATOM 238 N ASN A 18 -5.802 1.865 -0.506 1.00 0.00 N ATOM 239 CA ASN A 18 -4.640 2.612 -0.047 1.00 0.00 C ATOM 240 C ASN A 18 -3.965 1.923 1.128 1.00 0.00 C ATOM 241 O ASN A 18 -4.617 1.310 1.968 1.00 0.00 O ATOM 242 CB ASN A 18 -5.002 4.058 0.328 1.00 0.00 C ATOM 243 CG ASN A 18 -6.284 4.187 1.131 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.670 3.295 1.883 1.00 0.00 O ATOM 245 ND2 ASN A 18 -6.948 5.320 0.977 1.00 0.00 N ATOM 0 H ASN A 18 -6.427 1.554 0.238 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.939 2.642 -0.881 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.182 4.490 0.901 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.097 4.646 -0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.814 5.478 1.492 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.594 6.036 0.343 1.00 0.00 H new ATOM 252 N VAL A 19 -2.646 2.028 1.169 1.00 0.00 N ATOM 253 CA VAL A 19 -1.851 1.437 2.238 1.00 0.00 C ATOM 254 C VAL A 19 -0.719 2.376 2.635 1.00 0.00 C ATOM 255 O VAL A 19 -0.548 3.439 2.040 1.00 0.00 O ATOM 256 CB VAL A 19 -1.251 0.065 1.839 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.346 -0.969 1.636 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.393 0.191 0.588 1.00 0.00 C ATOM 0 H VAL A 19 -2.097 2.523 0.466 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.525 1.280 3.080 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.614 -0.272 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.898 -1.923 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.909 -1.089 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.017 -0.637 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.017 -0.785 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.004 0.559 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.423 0.889 0.775 1.00 0.00 H new ATOM 268 N SER A 20 0.033 2.000 3.655 1.00 0.00 N ATOM 269 CA SER A 20 1.181 2.781 4.092 1.00 0.00 C ATOM 270 C SER A 20 2.225 1.882 4.754 1.00 0.00 C ATOM 271 O SER A 20 1.905 0.796 5.226 1.00 0.00 O ATOM 272 CB SER A 20 0.732 3.880 5.057 1.00 0.00 C ATOM 273 OG SER A 20 -0.178 4.770 4.433 1.00 0.00 O ATOM 0 H SER A 20 -0.131 1.154 4.200 1.00 0.00 H new ATOM 0 HA SER A 20 1.638 3.246 3.218 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.263 3.430 5.932 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.601 4.434 5.411 1.00 0.00 H new ATOM 0 HG SER A 20 -0.388 4.445 3.533 1.00 0.00 H new ATOM 279 N LEU A 21 3.470 2.337 4.767 1.00 0.00 N ATOM 280 CA LEU A 21 4.581 1.571 5.331 1.00 0.00 C ATOM 281 C LEU A 21 4.477 1.460 6.855 1.00 0.00 C ATOM 282 O LEU A 21 4.276 2.463 7.542 1.00 0.00 O ATOM 283 CB LEU A 21 5.910 2.238 4.959 1.00 0.00 C ATOM 284 CG LEU A 21 6.486 1.894 3.581 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.920 0.442 3.534 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.488 2.183 2.471 1.00 0.00 C ATOM 0 H LEU A 21 3.742 3.245 4.389 1.00 0.00 H new ATOM 0 HA LEU A 21 4.536 0.565 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.776 3.318 5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.649 1.970 5.714 1.00 0.00 H new ATOM 0 HG LEU A 21 7.357 2.529 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.326 0.215 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.684 0.266 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.062 -0.201 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.930 1.927 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.588 1.588 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.229 3.242 2.481 1.00 0.00 H new ATOM 298 N ILE A 22 4.630 0.242 7.378 1.00 0.00 N ATOM 299 CA ILE A 22 4.611 0.028 8.830 1.00 0.00 C ATOM 300 C ILE A 22 6.023 0.101 9.396 1.00 0.00 C ATOM 301 O ILE A 22 6.223 0.149 10.607 1.00 0.00 O ATOM 302 CB ILE A 22 3.988 -1.331 9.220 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.845 -2.491 8.702 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.574 -1.430 8.679 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.365 -3.858 9.144 1.00 0.00 C ATOM 0 H ILE A 22 4.767 -0.605 6.826 1.00 0.00 H new ATOM 0 HA ILE A 22 3.991 0.820 9.251 1.00 0.00 H new ATOM 0 HB ILE A 22 3.953 -1.397 10.307 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.862 -2.458 7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.871 -2.351 9.041 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.144 -2.391 8.959 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.968 -0.626 9.096 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.593 -1.344 7.593 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.024 -4.624 8.736 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.375 -3.913 10.233 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.350 -4.022 8.782 1.00 0.00 H new ATOM 317 N LYS A 23 6.991 0.107 8.497 1.00 0.00 N ATOM 318 CA LYS A 23 8.399 0.199 8.845 1.00 0.00 C ATOM 319 C LYS A 23 9.148 0.800 7.665 1.00 0.00 C ATOM 320 O LYS A 23 8.531 1.131 6.653 1.00 0.00 O ATOM 321 CB LYS A 23 8.973 -1.182 9.205 1.00 0.00 C ATOM 322 CG LYS A 23 8.315 -2.337 8.460 1.00 0.00 C ATOM 323 CD LYS A 23 9.293 -3.465 8.162 1.00 0.00 C ATOM 324 CE LYS A 23 9.888 -4.061 9.425 1.00 0.00 C ATOM 325 NZ LYS A 23 8.867 -4.734 10.271 1.00 0.00 N ATOM 0 H LYS A 23 6.820 0.047 7.493 1.00 0.00 H new ATOM 0 HA LYS A 23 8.515 0.835 9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.042 -1.187 8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.861 -1.343 10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.487 -2.724 9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.892 -1.969 7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.782 -4.247 7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.096 -3.089 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.662 -4.779 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.372 -3.273 10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.336 -5.211 11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.198 -4.027 10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.352 -5.436 9.702 1.00 0.00 H new ATOM 339 N ASP A 24 10.457 0.947 7.786 1.00 0.00 N ATOM 340 CA ASP A 24 11.249 1.510 6.698 1.00 0.00 C ATOM 341 C ASP A 24 11.789 0.391 5.816 1.00 0.00 C ATOM 342 O ASP A 24 12.608 -0.422 6.254 1.00 0.00 O ATOM 343 CB ASP A 24 12.408 2.353 7.239 1.00 0.00 C ATOM 344 CG ASP A 24 12.021 3.183 8.444 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.273 4.165 8.285 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.460 2.844 9.561 1.00 0.00 O ATOM 0 H ASP A 24 10.992 0.689 8.615 1.00 0.00 H new ATOM 0 HA ASP A 24 10.603 2.158 6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.234 1.695 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.769 3.013 6.450 1.00 0.00 H new ATOM 351 N LEU A 25 11.314 0.343 4.579 1.00 0.00 N ATOM 352 CA LEU A 25 11.710 -0.699 3.641 1.00 0.00 C ATOM 353 C LEU A 25 12.424 -0.093 2.440 1.00 0.00 C ATOM 354 O LEU A 25 11.877 0.764 1.749 1.00 0.00 O ATOM 355 CB LEU A 25 10.497 -1.504 3.149 1.00 0.00 C ATOM 356 CG LEU A 25 9.841 -2.449 4.166 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.863 -3.383 4.800 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.098 -1.681 5.234 1.00 0.00 C ATOM 0 H LEU A 25 10.650 1.018 4.200 1.00 0.00 H new ATOM 0 HA LEU A 25 12.385 -1.371 4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.741 -0.801 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.807 -2.094 2.286 1.00 0.00 H new ATOM 0 HG LEU A 25 9.120 -3.056 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.364 -4.038 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.335 -3.986 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.622 -2.795 5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.646 -2.380 5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.793 -1.031 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.318 -1.077 4.771 1.00 0.00 H new ATOM 370 N LYS A 26 13.637 -0.546 2.190 1.00 0.00 N ATOM 371 CA LYS A 26 14.397 -0.087 1.041 1.00 0.00 C ATOM 372 C LYS A 26 14.144 -1.023 -0.136 1.00 0.00 C ATOM 373 O LYS A 26 14.037 -2.241 0.038 1.00 0.00 O ATOM 374 CB LYS A 26 15.889 -0.024 1.391 1.00 0.00 C ATOM 375 CG LYS A 26 16.772 0.594 0.313 1.00 0.00 C ATOM 376 CD LYS A 26 17.503 -0.465 -0.496 1.00 0.00 C ATOM 377 CE LYS A 26 18.429 -1.291 0.379 1.00 0.00 C ATOM 378 NZ LYS A 26 19.619 -0.519 0.829 1.00 0.00 N ATOM 0 H LYS A 26 14.120 -1.234 2.768 1.00 0.00 H new ATOM 0 HA LYS A 26 14.077 0.917 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.008 0.548 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.243 -1.034 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.160 1.202 -0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.498 1.262 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.778 -1.119 -0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.079 0.014 -1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.880 -1.648 1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.757 -2.171 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.255 -1.143 1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.122 -0.142 0.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.313 0.269 1.435 1.00 0.00 H new ATOM 392 N LEU A 27 14.025 -0.447 -1.320 1.00 0.00 N ATOM 393 CA LEU A 27 13.702 -1.200 -2.523 1.00 0.00 C ATOM 394 C LEU A 27 14.884 -2.038 -2.996 1.00 0.00 C ATOM 395 O LEU A 27 16.038 -1.679 -2.788 1.00 0.00 O ATOM 396 CB LEU A 27 13.259 -0.245 -3.635 1.00 0.00 C ATOM 397 CG LEU A 27 11.875 0.380 -3.445 1.00 0.00 C ATOM 398 CD1 LEU A 27 11.523 1.267 -4.629 1.00 0.00 C ATOM 399 CD2 LEU A 27 10.820 -0.702 -3.256 1.00 0.00 C ATOM 0 H LEU A 27 14.149 0.553 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 27 12.886 -1.881 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.993 0.556 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.269 -0.786 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 27 11.898 0.998 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.536 1.703 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.261 2.064 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.519 0.671 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.843 -0.238 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.799 -1.347 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.063 -1.297 -2.375 1.00 0.00 H new ATOM 411 N LYS A 28 14.579 -3.152 -3.651 1.00 0.00 N ATOM 412 CA LYS A 28 15.605 -4.053 -4.170 1.00 0.00 C ATOM 413 C LYS A 28 16.229 -3.490 -5.447 1.00 0.00 C ATOM 414 O LYS A 28 17.071 -4.129 -6.080 1.00 0.00 O ATOM 415 CB LYS A 28 15.003 -5.436 -4.437 1.00 0.00 C ATOM 416 CG LYS A 28 13.798 -5.408 -5.364 1.00 0.00 C ATOM 417 CD LYS A 28 13.202 -6.794 -5.545 1.00 0.00 C ATOM 418 CE LYS A 28 11.997 -6.760 -6.474 1.00 0.00 C ATOM 419 NZ LYS A 28 11.413 -8.109 -6.678 1.00 0.00 N ATOM 0 H LYS A 28 13.623 -3.456 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 28 16.391 -4.147 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.769 -6.079 -4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.710 -5.885 -3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.042 -4.736 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.093 -5.008 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.958 -7.467 -5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.905 -7.194 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.239 -6.096 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.293 -6.344 -7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.595 -8.040 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.128 -8.737 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.106 -8.496 -5.763 1.00 0.00 H new ATOM 433 N GLY A 29 15.799 -2.294 -5.815 1.00 0.00 N ATOM 434 CA GLY A 29 16.365 -1.604 -6.949 1.00 0.00 C ATOM 435 C GLY A 29 16.842 -0.226 -6.555 1.00 0.00 C ATOM 436 O GLY A 29 16.044 0.599 -6.105 1.00 0.00 O ATOM 0 H GLY A 29 15.056 -1.784 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.198 -2.180 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.620 -1.523 -7.740 1.00 0.00 H new ATOM 440 N SER A 30 18.147 0.007 -6.692 1.00 0.00 N ATOM 441 CA SER A 30 18.762 1.272 -6.301 1.00 0.00 C ATOM 442 C SER A 30 18.698 1.438 -4.778 1.00 0.00 C ATOM 443 O SER A 30 18.331 0.509 -4.055 1.00 0.00 O ATOM 444 CB SER A 30 18.079 2.451 -7.018 1.00 0.00 C ATOM 445 OG SER A 30 18.788 3.665 -6.819 1.00 0.00 O ATOM 0 H SER A 30 18.804 -0.673 -7.075 1.00 0.00 H new ATOM 0 HA SER A 30 19.810 1.263 -6.601 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.012 2.239 -8.085 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.059 2.560 -6.650 1.00 0.00 H new ATOM 0 HG SER A 30 18.258 4.264 -6.252 1.00 0.00 H new ATOM 451 N SER A 31 19.057 2.613 -4.289 1.00 0.00 N ATOM 452 CA SER A 31 19.078 2.868 -2.857 1.00 0.00 C ATOM 453 C SER A 31 17.817 3.629 -2.440 1.00 0.00 C ATOM 454 O SER A 31 17.853 4.486 -1.557 1.00 0.00 O ATOM 455 CB SER A 31 20.340 3.658 -2.488 1.00 0.00 C ATOM 456 OG SER A 31 20.586 3.623 -1.090 1.00 0.00 O ATOM 0 H SER A 31 19.339 3.408 -4.863 1.00 0.00 H new ATOM 0 HA SER A 31 19.096 1.918 -2.322 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.197 3.245 -3.020 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.231 4.693 -2.813 1.00 0.00 H new ATOM 0 HG SER A 31 19.778 3.899 -0.609 1.00 0.00 H new ATOM 462 N THR A 32 16.700 3.305 -3.075 1.00 0.00 N ATOM 463 CA THR A 32 15.431 3.932 -2.747 1.00 0.00 C ATOM 464 C THR A 32 14.874 3.356 -1.446 1.00 0.00 C ATOM 465 O THR A 32 14.392 2.224 -1.412 1.00 0.00 O ATOM 466 CB THR A 32 14.415 3.731 -3.885 1.00 0.00 C ATOM 467 OG1 THR A 32 14.967 4.226 -5.113 1.00 0.00 O ATOM 468 CG2 THR A 32 13.103 4.445 -3.591 1.00 0.00 C ATOM 0 H THR A 32 16.648 2.611 -3.821 1.00 0.00 H new ATOM 0 HA THR A 32 15.603 5.000 -2.617 1.00 0.00 H new ATOM 0 HB THR A 32 14.208 2.664 -3.972 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.321 4.096 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.408 4.283 -4.415 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.673 4.051 -2.670 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.288 5.513 -3.477 1.00 0.00 H new ATOM 476 N VAL A 33 14.964 4.128 -0.374 1.00 0.00 N ATOM 477 CA VAL A 33 14.531 3.661 0.933 1.00 0.00 C ATOM 478 C VAL A 33 13.204 4.301 1.311 1.00 0.00 C ATOM 479 O VAL A 33 13.137 5.510 1.535 1.00 0.00 O ATOM 480 CB VAL A 33 15.560 3.998 2.035 1.00 0.00 C ATOM 481 CG1 VAL A 33 15.323 3.141 3.270 1.00 0.00 C ATOM 482 CG2 VAL A 33 16.984 3.834 1.530 1.00 0.00 C ATOM 0 H VAL A 33 15.332 5.079 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 33 14.428 2.578 0.862 1.00 0.00 H new ATOM 0 HB VAL A 33 15.424 5.044 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.058 3.393 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.320 3.327 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.421 2.088 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 33 17.684 4.079 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.141 2.803 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.150 4.503 0.685 1.00 0.00 H new ATOM 492 N LEU A 34 12.152 3.501 1.369 1.00 0.00 N ATOM 493 CA LEU A 34 10.868 3.989 1.849 1.00 0.00 C ATOM 494 C LEU A 34 10.862 3.979 3.363 1.00 0.00 C ATOM 495 O LEU A 34 11.499 3.133 3.988 1.00 0.00 O ATOM 496 CB LEU A 34 9.704 3.155 1.316 1.00 0.00 C ATOM 497 CG LEU A 34 9.396 3.346 -0.165 1.00 0.00 C ATOM 498 CD1 LEU A 34 10.285 2.464 -1.027 1.00 0.00 C ATOM 499 CD2 LEU A 34 7.931 3.070 -0.429 1.00 0.00 C ATOM 0 H LEU A 34 12.160 2.519 1.093 1.00 0.00 H new ATOM 0 HA LEU A 34 10.734 5.006 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.921 2.102 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.810 3.397 1.891 1.00 0.00 H new ATOM 0 HG LEU A 34 9.607 4.381 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.043 2.621 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.330 2.720 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.120 1.418 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.720 3.209 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.697 2.044 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.320 3.758 0.156 1.00 0.00 H new ATOM 511 N LYS A 35 10.158 4.923 3.952 1.00 0.00 N ATOM 512 CA LYS A 35 10.179 5.082 5.393 1.00 0.00 C ATOM 513 C LYS A 35 8.843 4.721 6.009 1.00 0.00 C ATOM 514 O LYS A 35 7.822 4.659 5.328 1.00 0.00 O ATOM 515 CB LYS A 35 10.570 6.511 5.760 1.00 0.00 C ATOM 516 CG LYS A 35 12.039 6.811 5.515 1.00 0.00 C ATOM 517 CD LYS A 35 12.927 6.201 6.586 1.00 0.00 C ATOM 518 CE LYS A 35 12.657 6.802 7.958 1.00 0.00 C ATOM 519 NZ LYS A 35 12.838 8.279 7.960 1.00 0.00 N ATOM 0 H LYS A 35 9.566 5.590 3.458 1.00 0.00 H new ATOM 0 HA LYS A 35 10.925 4.397 5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.962 7.207 5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.341 6.685 6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.331 6.425 4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.190 7.890 5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.763 5.124 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.973 6.356 6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.640 6.560 8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.328 6.353 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.898 8.620 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.714 8.522 7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.029 8.729 7.486 1.00 0.00 H new ATOM 533 N ARG A 36 8.864 4.471 7.302 1.00 0.00 N ATOM 534 CA ARG A 36 7.655 4.194 8.046 1.00 0.00 C ATOM 535 C ARG A 36 6.683 5.357 7.923 1.00 0.00 C ATOM 536 O ARG A 36 7.051 6.512 8.138 1.00 0.00 O ATOM 537 CB ARG A 36 7.985 3.948 9.513 1.00 0.00 C ATOM 538 CG ARG A 36 6.804 3.422 10.305 1.00 0.00 C ATOM 539 CD ARG A 36 7.227 2.950 11.679 1.00 0.00 C ATOM 540 NE ARG A 36 6.106 2.377 12.424 1.00 0.00 N ATOM 541 CZ ARG A 36 5.773 2.723 13.667 1.00 0.00 C ATOM 542 NH1 ARG A 36 6.504 3.601 14.343 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.714 2.171 14.242 1.00 0.00 N ATOM 0 H ARG A 36 9.715 4.454 7.863 1.00 0.00 H new ATOM 0 HA ARG A 36 7.190 3.299 7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.807 3.235 9.580 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.332 4.878 9.963 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.052 4.205 10.403 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.338 2.599 9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.017 2.205 11.581 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.646 3.787 12.238 1.00 0.00 H new ATOM 0 HE ARG A 36 5.541 1.665 11.961 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.329 4.017 13.911 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.241 3.859 15.294 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.157 1.484 13.733 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.456 2.433 15.193 1.00 0.00 H new ATOM 557 N GLY A 37 5.448 5.050 7.577 1.00 0.00 N ATOM 558 CA GLY A 37 4.448 6.086 7.424 1.00 0.00 C ATOM 559 C GLY A 37 4.277 6.550 5.986 1.00 0.00 C ATOM 560 O GLY A 37 3.400 7.367 5.706 1.00 0.00 O ATOM 0 H GLY A 37 5.116 4.102 7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.492 5.716 7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.722 6.940 8.044 1.00 0.00 H new ATOM 564 N THR A 38 5.114 6.054 5.076 1.00 0.00 N ATOM 565 CA THR A 38 4.973 6.382 3.660 1.00 0.00 C ATOM 566 C THR A 38 3.643 5.858 3.127 1.00 0.00 C ATOM 567 O THR A 38 3.392 4.652 3.150 1.00 0.00 O ATOM 568 CB THR A 38 6.127 5.794 2.818 1.00 0.00 C ATOM 569 OG1 THR A 38 7.379 6.339 3.257 1.00 0.00 O ATOM 570 CG2 THR A 38 5.938 6.104 1.339 1.00 0.00 C ATOM 0 H THR A 38 5.890 5.429 5.292 1.00 0.00 H new ATOM 0 HA THR A 38 5.005 7.468 3.574 1.00 0.00 H new ATOM 0 HB THR A 38 6.125 4.712 2.953 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.678 5.866 4.061 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.764 5.679 0.770 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.999 5.672 0.994 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.915 7.184 1.194 1.00 0.00 H new ATOM 578 N MET A 39 2.791 6.761 2.662 1.00 0.00 N ATOM 579 CA MET A 39 1.481 6.377 2.172 1.00 0.00 C ATOM 580 C MET A 39 1.525 6.009 0.699 1.00 0.00 C ATOM 581 O MET A 39 1.889 6.817 -0.159 1.00 0.00 O ATOM 582 CB MET A 39 0.453 7.487 2.411 1.00 0.00 C ATOM 583 CG MET A 39 -0.862 7.258 1.679 1.00 0.00 C ATOM 584 SD MET A 39 -2.188 8.329 2.261 1.00 0.00 S ATOM 585 CE MET A 39 -2.600 7.525 3.807 1.00 0.00 C ATOM 0 H MET A 39 2.986 7.761 2.615 1.00 0.00 H new ATOM 0 HA MET A 39 1.173 5.495 2.734 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.257 7.567 3.480 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.877 8.440 2.093 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.711 7.423 0.612 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.163 6.217 1.801 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.594 7.839 4.127 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.587 6.444 3.670 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.870 7.803 4.567 1.00 0.00 H new ATOM 595 N ILE A 40 1.152 4.779 0.426 1.00 0.00 N ATOM 596 CA ILE A 40 1.018 4.299 -0.936 1.00 0.00 C ATOM 597 C ILE A 40 -0.462 4.127 -1.259 1.00 0.00 C ATOM 598 O ILE A 40 -1.071 3.110 -0.928 1.00 0.00 O ATOM 599 CB ILE A 40 1.766 2.964 -1.152 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.252 3.132 -0.814 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.597 2.475 -2.587 1.00 0.00 C ATOM 602 CD1 ILE A 40 4.067 1.868 -0.993 1.00 0.00 C ATOM 0 H ILE A 40 0.933 4.083 1.138 1.00 0.00 H new ATOM 0 HA ILE A 40 1.467 5.034 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 40 1.337 2.215 -0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.672 3.916 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.344 3.469 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.132 1.534 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.538 2.322 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.000 3.219 -3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.107 2.066 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.674 1.087 -0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.007 1.540 -2.031 1.00 0.00 H new ATOM 614 N ARG A 41 -1.049 5.144 -1.867 1.00 0.00 N ATOM 615 CA ARG A 41 -2.472 5.133 -2.162 1.00 0.00 C ATOM 616 C ARG A 41 -2.726 4.882 -3.640 1.00 0.00 C ATOM 617 O ARG A 41 -2.053 5.440 -4.504 1.00 0.00 O ATOM 618 CB ARG A 41 -3.154 6.428 -1.685 1.00 0.00 C ATOM 619 CG ARG A 41 -2.294 7.693 -1.731 1.00 0.00 C ATOM 620 CD ARG A 41 -1.920 8.112 -3.144 1.00 0.00 C ATOM 621 NE ARG A 41 -1.499 9.515 -3.202 1.00 0.00 N ATOM 622 CZ ARG A 41 -0.256 9.948 -2.974 1.00 0.00 C ATOM 623 NH1 ARG A 41 0.717 9.097 -2.667 1.00 0.00 N ATOM 624 NH2 ARG A 41 0.009 11.244 -3.050 1.00 0.00 N ATOM 0 H ARG A 41 -0.562 5.989 -2.166 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.918 4.307 -1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.042 6.594 -2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.494 6.280 -0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.832 8.508 -1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.384 7.527 -1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.115 7.475 -3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.773 7.961 -3.806 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.207 10.212 -3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.520 8.098 -2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.661 9.442 -2.496 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.734 11.904 -3.281 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.956 11.582 -2.877 1.00 0.00 H new ATOM 638 N GLY A 42 -3.692 4.023 -3.920 1.00 0.00 N ATOM 639 CA GLY A 42 -3.968 3.641 -5.284 1.00 0.00 C ATOM 640 C GLY A 42 -3.310 2.325 -5.626 1.00 0.00 C ATOM 641 O GLY A 42 -2.598 2.221 -6.624 1.00 0.00 O ATOM 0 H GLY A 42 -4.292 3.583 -3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.045 3.561 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.610 4.416 -5.961 1.00 0.00 H new ATOM 645 N ILE A 43 -3.531 1.329 -4.778 1.00 0.00 N ATOM 646 CA ILE A 43 -2.939 0.019 -4.971 1.00 0.00 C ATOM 647 C ILE A 43 -3.949 -0.924 -5.604 1.00 0.00 C ATOM 648 O ILE A 43 -5.147 -0.645 -5.616 1.00 0.00 O ATOM 649 CB ILE A 43 -2.405 -0.580 -3.640 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.539 -0.922 -2.660 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.437 0.392 -2.987 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.049 -2.345 -2.773 1.00 0.00 C ATOM 0 H ILE A 43 -4.119 1.408 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.087 0.139 -5.640 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.891 -1.510 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.188 -0.754 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.369 -0.236 -2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.067 -0.034 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.599 0.578 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.950 1.331 -2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.847 -2.504 -2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.433 -2.515 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.234 -3.041 -2.574 1.00 0.00 H new ATOM 664 N ARG A 44 -3.459 -2.027 -6.128 1.00 0.00 N ATOM 665 CA ARG A 44 -4.299 -3.031 -6.747 1.00 0.00 C ATOM 666 C ARG A 44 -3.790 -4.422 -6.418 1.00 0.00 C ATOM 667 O ARG A 44 -2.673 -4.583 -5.919 1.00 0.00 O ATOM 668 CB ARG A 44 -4.340 -2.832 -8.257 1.00 0.00 C ATOM 669 CG ARG A 44 -2.969 -2.709 -8.886 1.00 0.00 C ATOM 670 CD ARG A 44 -3.063 -2.559 -10.391 1.00 0.00 C ATOM 671 NE ARG A 44 -3.800 -1.359 -10.784 1.00 0.00 N ATOM 672 CZ ARG A 44 -3.261 -0.356 -11.479 1.00 0.00 C ATOM 673 NH1 ARG A 44 -1.959 -0.349 -11.744 1.00 0.00 N ATOM 674 NH2 ARG A 44 -4.018 0.657 -11.882 1.00 0.00 N ATOM 0 H ARG A 44 -2.465 -2.254 -6.137 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.310 -2.925 -6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.866 -3.671 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.916 -1.935 -8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.450 -1.848 -8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.375 -3.590 -8.643 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.059 -2.521 -10.813 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.553 -3.437 -10.812 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.780 -1.285 -10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.368 -1.112 -11.416 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.551 0.420 -12.276 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.014 0.669 -11.660 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.604 1.423 -12.413 1.00 0.00 H new ATOM 688 N LEU A 45 -4.605 -5.421 -6.704 1.00 0.00 N ATOM 689 CA LEU A 45 -4.256 -6.795 -6.397 1.00 0.00 C ATOM 690 C LEU A 45 -3.503 -7.417 -7.562 1.00 0.00 C ATOM 691 O LEU A 45 -3.737 -7.069 -8.722 1.00 0.00 O ATOM 692 CB LEU A 45 -5.516 -7.609 -6.087 1.00 0.00 C ATOM 693 CG LEU A 45 -6.436 -7.008 -5.020 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.571 -7.965 -4.695 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.655 -6.655 -3.765 1.00 0.00 C ATOM 0 H LEU A 45 -5.515 -5.305 -7.150 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.612 -6.803 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.086 -7.731 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.215 -8.606 -5.764 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.864 -6.089 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.215 -7.522 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.153 -8.158 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.160 -8.903 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.331 -6.230 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.191 -7.554 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.882 -5.927 -4.010 1.00 0.00 H new ATOM 707 N THR A 46 -2.593 -8.322 -7.252 1.00 0.00 N ATOM 708 CA THR A 46 -1.805 -8.987 -8.269 1.00 0.00 C ATOM 709 C THR A 46 -2.321 -10.404 -8.474 1.00 0.00 C ATOM 710 O THR A 46 -3.461 -10.710 -8.125 1.00 0.00 O ATOM 711 CB THR A 46 -0.316 -9.037 -7.868 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.163 -9.731 -6.621 1.00 0.00 O ATOM 713 CG2 THR A 46 0.259 -7.634 -7.749 1.00 0.00 C ATOM 0 H THR A 46 -2.382 -8.614 -6.298 1.00 0.00 H new ATOM 0 HA THR A 46 -1.897 -8.422 -9.196 1.00 0.00 H new ATOM 0 HB THR A 46 0.228 -9.571 -8.647 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.288 -9.103 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.310 -7.694 -7.465 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.171 -7.122 -8.707 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.291 -7.079 -6.989 1.00 0.00 H new ATOM 721 N ASP A 47 -1.489 -11.265 -9.041 1.00 0.00 N ATOM 722 CA ASP A 47 -1.825 -12.679 -9.153 1.00 0.00 C ATOM 723 C ASP A 47 -1.435 -13.387 -7.860 1.00 0.00 C ATOM 724 O ASP A 47 -1.564 -14.605 -7.733 1.00 0.00 O ATOM 725 CB ASP A 47 -1.101 -13.330 -10.337 1.00 0.00 C ATOM 726 CG ASP A 47 -1.321 -12.604 -11.651 1.00 0.00 C ATOM 727 OD1 ASP A 47 -2.449 -12.647 -12.188 1.00 0.00 O ATOM 728 OD2 ASP A 47 -0.356 -11.993 -12.160 1.00 0.00 O ATOM 0 H ASP A 47 -0.580 -11.012 -9.429 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.898 -12.770 -9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.032 -13.366 -10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.441 -14.361 -10.439 1.00 0.00 H new ATOM 733 N SER A 48 -0.937 -12.602 -6.911 1.00 0.00 N ATOM 734 CA SER A 48 -0.507 -13.096 -5.620 1.00 0.00 C ATOM 735 C SER A 48 -1.407 -12.561 -4.508 1.00 0.00 C ATOM 736 O SER A 48 -2.049 -11.524 -4.668 1.00 0.00 O ATOM 737 CB SER A 48 0.939 -12.665 -5.387 1.00 0.00 C ATOM 738 OG SER A 48 1.840 -13.485 -6.118 1.00 0.00 O ATOM 0 H SER A 48 -0.822 -11.595 -7.024 1.00 0.00 H new ATOM 0 HA SER A 48 -0.575 -14.184 -5.608 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.065 -11.624 -5.686 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.172 -12.721 -4.324 1.00 0.00 H new ATOM 0 HG SER A 48 2.759 -13.188 -5.954 1.00 0.00 H new ATOM 744 N GLU A 49 -1.446 -13.271 -3.388 1.00 0.00 N ATOM 745 CA GLU A 49 -2.246 -12.851 -2.242 1.00 0.00 C ATOM 746 C GLU A 49 -1.385 -12.036 -1.288 1.00 0.00 C ATOM 747 O GLU A 49 -1.872 -11.180 -0.552 1.00 0.00 O ATOM 748 CB GLU A 49 -2.806 -14.064 -1.493 1.00 0.00 C ATOM 749 CG GLU A 49 -3.438 -15.104 -2.394 1.00 0.00 C ATOM 750 CD GLU A 49 -4.178 -16.174 -1.616 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.540 -17.170 -1.207 1.00 0.00 O ATOM 752 OE2 GLU A 49 -5.402 -16.029 -1.412 1.00 0.00 O ATOM 0 H GLU A 49 -0.933 -14.141 -3.247 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.076 -12.247 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.002 -14.531 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.549 -13.722 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.130 -14.614 -3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.664 -15.572 -3.002 1.00 0.00 H new ATOM 759 N ASP A 50 -0.095 -12.326 -1.311 1.00 0.00 N ATOM 760 CA ASP A 50 0.863 -11.693 -0.415 1.00 0.00 C ATOM 761 C ASP A 50 1.444 -10.430 -1.030 1.00 0.00 C ATOM 762 O ASP A 50 2.096 -9.639 -0.348 1.00 0.00 O ATOM 763 CB ASP A 50 1.999 -12.661 -0.094 1.00 0.00 C ATOM 764 CG ASP A 50 1.570 -13.817 0.779 1.00 0.00 C ATOM 765 OD1 ASP A 50 1.106 -14.841 0.234 1.00 0.00 O ATOM 766 OD2 ASP A 50 1.723 -13.718 2.013 1.00 0.00 O ATOM 0 H ASP A 50 0.319 -13.005 -1.949 1.00 0.00 H new ATOM 0 HA ASP A 50 0.334 -11.424 0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.409 -13.051 -1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.801 -12.117 0.404 1.00 0.00 H new ATOM 771 N GLU A 51 1.205 -10.240 -2.315 1.00 0.00 N ATOM 772 CA GLU A 51 1.783 -9.118 -3.034 1.00 0.00 C ATOM 773 C GLU A 51 0.709 -8.239 -3.640 1.00 0.00 C ATOM 774 O GLU A 51 -0.359 -8.712 -4.033 1.00 0.00 O ATOM 775 CB GLU A 51 2.709 -9.591 -4.152 1.00 0.00 C ATOM 776 CG GLU A 51 4.136 -9.912 -3.715 1.00 0.00 C ATOM 777 CD GLU A 51 4.266 -11.197 -2.922 1.00 0.00 C ATOM 778 OE1 GLU A 51 4.130 -12.287 -3.518 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.557 -11.129 -1.709 1.00 0.00 O ATOM 0 H GLU A 51 0.615 -10.848 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 51 2.355 -8.544 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.276 -10.481 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.746 -8.821 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.769 -9.978 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.515 -9.086 -3.113 1.00 0.00 H new ATOM 786 N ILE A 52 1.013 -6.962 -3.732 1.00 0.00 N ATOM 787 CA ILE A 52 0.147 -6.009 -4.395 1.00 0.00 C ATOM 788 C ILE A 52 0.966 -5.128 -5.314 1.00 0.00 C ATOM 789 O ILE A 52 2.187 -5.225 -5.357 1.00 0.00 O ATOM 790 CB ILE A 52 -0.608 -5.085 -3.415 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.378 -4.281 -2.568 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.549 -5.881 -2.530 1.00 0.00 C ATOM 793 CD1 ILE A 52 -0.251 -3.083 -1.901 1.00 0.00 C ATOM 0 H ILE A 52 1.867 -6.555 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.587 -6.599 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.207 -4.389 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.806 -4.931 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.201 -3.947 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.068 -5.205 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.278 -6.402 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.978 -6.609 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.502 -2.556 -1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.654 -2.414 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.056 -3.413 -1.244 1.00 0.00 H new ATOM 805 N GLU A 53 0.291 -4.273 -6.044 1.00 0.00 N ATOM 806 CA GLU A 53 0.947 -3.301 -6.884 1.00 0.00 C ATOM 807 C GLU A 53 0.347 -1.936 -6.603 1.00 0.00 C ATOM 808 O GLU A 53 -0.862 -1.764 -6.688 1.00 0.00 O ATOM 809 CB GLU A 53 0.760 -3.704 -8.339 1.00 0.00 C ATOM 810 CG GLU A 53 1.485 -2.823 -9.344 1.00 0.00 C ATOM 811 CD GLU A 53 0.558 -1.844 -10.035 1.00 0.00 C ATOM 812 OE1 GLU A 53 0.313 -0.755 -9.487 1.00 0.00 O ATOM 813 OE2 GLU A 53 0.071 -2.164 -11.141 1.00 0.00 O ATOM 0 H GLU A 53 -0.728 -4.232 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 53 2.016 -3.258 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.103 -4.731 -8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.305 -3.694 -8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.276 -2.272 -8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.966 -3.452 -10.093 1.00 0.00 H new ATOM 820 N GLY A 54 1.177 -0.979 -6.238 1.00 0.00 N ATOM 821 CA GLY A 54 0.660 0.308 -5.840 1.00 0.00 C ATOM 822 C GLY A 54 1.438 1.458 -6.424 1.00 0.00 C ATOM 823 O GLY A 54 2.374 1.260 -7.190 1.00 0.00 O ATOM 0 H GLY A 54 2.193 -1.068 -6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.382 0.387 -6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.676 0.380 -4.752 1.00 0.00 H new ATOM 827 N ARG A 55 1.057 2.665 -6.052 1.00 0.00 N ATOM 828 CA ARG A 55 1.721 3.858 -6.532 1.00 0.00 C ATOM 829 C ARG A 55 1.870 4.868 -5.410 1.00 0.00 C ATOM 830 O ARG A 55 1.000 4.998 -4.546 1.00 0.00 O ATOM 831 CB ARG A 55 0.946 4.464 -7.699 1.00 0.00 C ATOM 832 CG ARG A 55 -0.514 4.735 -7.392 1.00 0.00 C ATOM 833 CD ARG A 55 -1.273 5.090 -8.657 1.00 0.00 C ATOM 834 NE ARG A 55 -2.724 5.031 -8.478 1.00 0.00 N ATOM 835 CZ ARG A 55 -3.591 5.639 -9.288 1.00 0.00 C ATOM 836 NH1 ARG A 55 -3.152 6.431 -10.260 1.00 0.00 N ATOM 837 NH2 ARG A 55 -4.897 5.473 -9.118 1.00 0.00 N ATOM 0 H ARG A 55 0.283 2.844 -5.412 1.00 0.00 H new ATOM 0 HA ARG A 55 2.716 3.585 -6.883 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.424 5.398 -7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.009 3.790 -8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.962 3.856 -6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.594 5.551 -6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.991 6.093 -8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.981 4.407 -9.455 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.092 4.496 -7.691 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.150 6.575 -10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.817 6.895 -10.879 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.242 4.878 -8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.556 5.941 -9.741 1.00 0.00 H new ATOM 851 N THR A 56 2.981 5.568 -5.419 1.00 0.00 N ATOM 852 CA THR A 56 3.257 6.574 -4.416 1.00 0.00 C ATOM 853 C THR A 56 3.635 7.888 -5.100 1.00 0.00 C ATOM 854 O THR A 56 3.518 8.005 -6.322 1.00 0.00 O ATOM 855 CB THR A 56 4.361 6.098 -3.433 1.00 0.00 C ATOM 856 OG1 THR A 56 4.564 7.061 -2.391 1.00 0.00 O ATOM 857 CG2 THR A 56 5.677 5.833 -4.151 1.00 0.00 C ATOM 0 H THR A 56 3.716 5.458 -6.117 1.00 0.00 H new ATOM 0 HA THR A 56 2.358 6.740 -3.822 1.00 0.00 H new ATOM 0 HB THR A 56 4.017 5.162 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.262 6.741 -1.782 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.425 5.502 -3.430 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.531 5.059 -4.904 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.019 6.749 -4.634 1.00 0.00 H new ATOM 865 N ASP A 57 4.086 8.863 -4.320 1.00 0.00 N ATOM 866 CA ASP A 57 4.370 10.206 -4.829 1.00 0.00 C ATOM 867 C ASP A 57 5.639 10.240 -5.672 1.00 0.00 C ATOM 868 O ASP A 57 6.080 11.303 -6.102 1.00 0.00 O ATOM 869 CB ASP A 57 4.501 11.198 -3.670 1.00 0.00 C ATOM 870 CG ASP A 57 3.199 11.398 -2.929 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.869 10.566 -2.058 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.487 12.380 -3.223 1.00 0.00 O ATOM 0 H ASP A 57 4.265 8.750 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 57 3.533 10.492 -5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.260 10.841 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.847 12.157 -4.055 1.00 0.00 H new ATOM 877 N LYS A 58 6.224 9.078 -5.906 1.00 0.00 N ATOM 878 CA LYS A 58 7.436 8.978 -6.702 1.00 0.00 C ATOM 879 C LYS A 58 7.317 7.833 -7.693 1.00 0.00 C ATOM 880 O LYS A 58 7.190 8.046 -8.897 1.00 0.00 O ATOM 881 CB LYS A 58 8.654 8.764 -5.802 1.00 0.00 C ATOM 882 CG LYS A 58 8.944 9.935 -4.879 1.00 0.00 C ATOM 883 CD LYS A 58 10.220 9.721 -4.084 1.00 0.00 C ATOM 884 CE LYS A 58 10.453 10.852 -3.095 1.00 0.00 C ATOM 885 NZ LYS A 58 10.526 12.179 -3.765 1.00 0.00 N ATOM 0 H LYS A 58 5.877 8.186 -5.554 1.00 0.00 H new ATOM 0 HA LYS A 58 7.567 9.911 -7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.497 7.869 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.528 8.580 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.030 10.849 -5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.108 10.074 -4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.162 8.773 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.068 9.651 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.648 10.862 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.379 10.671 -2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.852 12.894 -3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.193 12.130 -4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.584 12.442 -4.119 1.00 0.00 H new ATOM 899 N ILE A 59 7.333 6.619 -7.172 1.00 0.00 N ATOM 900 CA ILE A 59 7.252 5.433 -8.004 1.00 0.00 C ATOM 901 C ILE A 59 5.802 4.997 -8.151 1.00 0.00 C ATOM 902 O ILE A 59 5.108 4.779 -7.155 1.00 0.00 O ATOM 903 CB ILE A 59 8.076 4.267 -7.412 1.00 0.00 C ATOM 904 CG1 ILE A 59 9.518 4.712 -7.138 1.00 0.00 C ATOM 905 CG2 ILE A 59 8.058 3.066 -8.350 1.00 0.00 C ATOM 906 CD1 ILE A 59 10.262 5.192 -8.370 1.00 0.00 C ATOM 0 H ILE A 59 7.402 6.429 -6.172 1.00 0.00 H new ATOM 0 HA ILE A 59 7.665 5.687 -8.980 1.00 0.00 H new ATOM 0 HB ILE A 59 7.620 3.971 -6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.506 5.513 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.066 3.880 -6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.644 2.256 -7.915 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.030 2.733 -8.495 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.487 3.349 -9.311 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.273 5.488 -8.092 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.309 4.387 -9.104 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.739 6.046 -8.801 1.00 0.00 H new ATOM 918 N LYS A 60 5.342 4.894 -9.384 1.00 0.00 N ATOM 919 CA LYS A 60 3.986 4.449 -9.650 1.00 0.00 C ATOM 920 C LYS A 60 3.996 3.002 -10.125 1.00 0.00 C ATOM 921 O LYS A 60 4.957 2.559 -10.760 1.00 0.00 O ATOM 922 CB LYS A 60 3.327 5.332 -10.715 1.00 0.00 C ATOM 923 CG LYS A 60 3.887 5.099 -12.107 1.00 0.00 C ATOM 924 CD LYS A 60 3.107 5.847 -13.174 1.00 0.00 C ATOM 925 CE LYS A 60 3.356 7.343 -13.117 1.00 0.00 C ATOM 926 NZ LYS A 60 2.640 8.054 -14.207 1.00 0.00 N ATOM 0 H LYS A 60 5.887 5.112 -10.218 1.00 0.00 H new ATOM 0 HA LYS A 60 3.413 4.525 -8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.254 5.141 -10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.462 6.379 -10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.930 5.414 -12.134 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.871 4.032 -12.329 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.386 5.470 -14.158 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.042 5.652 -13.048 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.030 7.731 -12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.426 7.538 -13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.831 9.074 -14.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.970 7.700 -15.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.617 7.887 -14.118 1.00 0.00 H new ATOM 940 N GLY A 61 2.941 2.273 -9.799 1.00 0.00 N ATOM 941 CA GLY A 61 2.775 0.924 -10.303 1.00 0.00 C ATOM 942 C GLY A 61 3.916 -0.002 -9.934 1.00 0.00 C ATOM 943 O GLY A 61 4.425 -0.729 -10.787 1.00 0.00 O ATOM 0 H GLY A 61 2.189 2.594 -9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.843 0.512 -9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.682 0.959 -11.388 1.00 0.00 H new ATOM 947 N LEU A 62 4.328 0.016 -8.676 1.00 0.00 N ATOM 948 CA LEU A 62 5.379 -0.881 -8.225 1.00 0.00 C ATOM 949 C LEU A 62 4.770 -2.030 -7.432 1.00 0.00 C ATOM 950 O LEU A 62 3.887 -1.826 -6.595 1.00 0.00 O ATOM 951 CB LEU A 62 6.456 -0.149 -7.398 1.00 0.00 C ATOM 952 CG LEU A 62 6.116 0.176 -5.940 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.371 0.613 -5.200 1.00 0.00 C ATOM 954 CD2 LEU A 62 5.064 1.269 -5.845 1.00 0.00 C ATOM 0 H LEU A 62 3.955 0.635 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 62 5.881 -1.279 -9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.360 -0.757 -7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.695 0.785 -7.906 1.00 0.00 H new ATOM 0 HG LEU A 62 5.712 -0.727 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.121 0.842 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.107 -0.190 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.785 1.501 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.847 1.475 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.437 2.175 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.153 0.942 -6.347 1.00 0.00 H new ATOM 966 N VAL A 63 5.227 -3.235 -7.718 1.00 0.00 N ATOM 967 CA VAL A 63 4.689 -4.423 -7.080 1.00 0.00 C ATOM 968 C VAL A 63 5.444 -4.709 -5.794 1.00 0.00 C ATOM 969 O VAL A 63 6.647 -4.979 -5.812 1.00 0.00 O ATOM 970 CB VAL A 63 4.765 -5.656 -8.008 1.00 0.00 C ATOM 971 CG1 VAL A 63 4.102 -6.866 -7.363 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.130 -5.353 -9.358 1.00 0.00 C ATOM 0 H VAL A 63 5.972 -3.418 -8.390 1.00 0.00 H new ATOM 0 HA VAL A 63 3.639 -4.231 -6.859 1.00 0.00 H new ATOM 0 HB VAL A 63 5.817 -5.892 -8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.169 -7.720 -8.037 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.608 -7.102 -6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.054 -6.643 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.194 -6.234 -9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.083 -5.083 -9.216 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.657 -4.524 -9.830 1.00 0.00 H new ATOM 982 N LEU A 64 4.737 -4.637 -4.683 1.00 0.00 N ATOM 983 CA LEU A 64 5.343 -4.854 -3.381 1.00 0.00 C ATOM 984 C LEU A 64 4.557 -5.857 -2.565 1.00 0.00 C ATOM 985 O LEU A 64 3.329 -5.914 -2.635 1.00 0.00 O ATOM 986 CB LEU A 64 5.468 -3.545 -2.592 1.00 0.00 C ATOM 987 CG LEU A 64 6.656 -2.672 -2.984 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.532 -1.286 -2.369 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.951 -3.343 -2.543 1.00 0.00 C ATOM 0 H LEU A 64 3.739 -4.429 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 64 6.341 -5.251 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.552 -2.969 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.544 -3.783 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 64 6.668 -2.556 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.390 -0.680 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.616 -0.812 -2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.502 -1.371 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.799 -2.718 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.941 -3.477 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.041 -4.315 -3.028 1.00 0.00 H new ATOM 1001 N ARG A 65 5.283 -6.660 -1.813 1.00 0.00 N ATOM 1002 CA ARG A 65 4.676 -7.540 -0.835 1.00 0.00 C ATOM 1003 C ARG A 65 3.953 -6.713 0.216 1.00 0.00 C ATOM 1004 O ARG A 65 4.520 -5.787 0.797 1.00 0.00 O ATOM 1005 CB ARG A 65 5.742 -8.416 -0.178 1.00 0.00 C ATOM 1006 CG ARG A 65 7.063 -7.700 0.033 1.00 0.00 C ATOM 1007 CD ARG A 65 8.058 -8.555 0.798 1.00 0.00 C ATOM 1008 NE ARG A 65 9.422 -8.042 0.679 1.00 0.00 N ATOM 1009 CZ ARG A 65 10.490 -8.609 1.240 1.00 0.00 C ATOM 1010 NH1 ARG A 65 10.353 -9.681 2.012 1.00 0.00 N ATOM 1011 NH2 ARG A 65 11.698 -8.101 1.026 1.00 0.00 N ATOM 0 H ARG A 65 6.300 -6.721 -1.861 1.00 0.00 H new ATOM 0 HA ARG A 65 3.957 -8.189 -1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.370 -8.768 0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.910 -9.297 -0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.487 -7.428 -0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.889 -6.772 0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.774 -8.590 1.850 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.021 -9.578 0.424 1.00 0.00 H new ATOM 0 HE ARG A 65 9.566 -7.194 0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.427 -10.075 2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.174 -10.111 2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.808 -7.278 0.433 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.516 -8.534 1.454 1.00 0.00 H new ATOM 1025 N THR A 66 2.713 -7.064 0.476 1.00 0.00 N ATOM 1026 CA THR A 66 1.879 -6.298 1.382 1.00 0.00 C ATOM 1027 C THR A 66 2.061 -6.786 2.821 1.00 0.00 C ATOM 1028 O THR A 66 1.185 -6.613 3.670 1.00 0.00 O ATOM 1029 CB THR A 66 0.392 -6.385 0.957 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.414 -5.533 1.779 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.126 -7.815 1.038 1.00 0.00 C ATOM 0 H THR A 66 2.255 -7.881 0.071 1.00 0.00 H new ATOM 0 HA THR A 66 2.187 -5.253 1.334 1.00 0.00 H new ATOM 0 HB THR A 66 0.326 -6.054 -0.079 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.063 -5.534 2.694 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.172 -7.841 0.733 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.461 -8.452 0.376 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.038 -8.177 2.062 1.00 0.00 H new ATOM 1039 N GLU A 67 3.236 -7.343 3.106 1.00 0.00 N ATOM 1040 CA GLU A 67 3.499 -7.921 4.415 1.00 0.00 C ATOM 1041 C GLU A 67 3.883 -6.821 5.374 1.00 0.00 C ATOM 1042 O GLU A 67 3.694 -6.922 6.586 1.00 0.00 O ATOM 1043 CB GLU A 67 4.636 -8.930 4.322 1.00 0.00 C ATOM 1044 CG GLU A 67 4.526 -9.828 3.115 1.00 0.00 C ATOM 1045 CD GLU A 67 5.590 -10.901 3.084 1.00 0.00 C ATOM 1046 OE1 GLU A 67 6.789 -10.552 3.033 1.00 0.00 O ATOM 1047 OE2 GLU A 67 5.237 -12.097 3.106 1.00 0.00 O ATOM 0 H GLU A 67 4.015 -7.405 2.450 1.00 0.00 H new ATOM 0 HA GLU A 67 2.602 -8.428 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.586 -8.397 4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.647 -9.542 5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.542 -10.298 3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.599 -9.224 2.211 1.00 0.00 H new ATOM 1054 N PHE A 68 4.420 -5.767 4.799 1.00 0.00 N ATOM 1055 CA PHE A 68 4.909 -4.641 5.565 1.00 0.00 C ATOM 1056 C PHE A 68 4.087 -3.390 5.282 1.00 0.00 C ATOM 1057 O PHE A 68 4.511 -2.270 5.582 1.00 0.00 O ATOM 1058 CB PHE A 68 6.391 -4.411 5.258 1.00 0.00 C ATOM 1059 CG PHE A 68 6.712 -4.174 3.804 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.435 -2.959 3.199 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.315 -5.167 3.051 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.748 -2.742 1.871 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.628 -4.954 1.723 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.345 -3.741 1.133 1.00 0.00 C ATOM 0 H PHE A 68 4.530 -5.666 3.790 1.00 0.00 H new ATOM 0 HA PHE A 68 4.804 -4.865 6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.737 -3.554 5.835 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.956 -5.277 5.603 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.969 -2.172 3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.543 -6.119 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.525 -1.790 1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.095 -5.739 1.146 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.591 -3.574 0.095 1.00 0.00 H new ATOM 1074 N LEU A 69 2.900 -3.583 4.724 1.00 0.00 N ATOM 1075 CA LEU A 69 2.031 -2.468 4.406 1.00 0.00 C ATOM 1076 C LEU A 69 0.785 -2.514 5.266 1.00 0.00 C ATOM 1077 O LEU A 69 0.276 -3.585 5.598 1.00 0.00 O ATOM 1078 CB LEU A 69 1.649 -2.474 2.924 1.00 0.00 C ATOM 1079 CG LEU A 69 2.820 -2.460 1.936 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.320 -2.679 0.519 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.584 -1.148 2.024 1.00 0.00 C ATOM 0 H LEU A 69 2.521 -4.499 4.484 1.00 0.00 H new ATOM 0 HA LEU A 69 2.573 -1.546 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.042 -3.358 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.020 -1.606 2.726 1.00 0.00 H new ATOM 0 HG LEU A 69 3.497 -3.272 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.164 -2.666 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.815 -3.643 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.622 -1.885 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.411 -1.160 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.915 -0.321 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.975 -1.021 3.034 1.00 0.00 H new ATOM 1093 N LYS A 70 0.315 -1.343 5.626 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.850 -1.196 6.469 1.00 0.00 C ATOM 1095 C LYS A 70 -1.964 -0.551 5.668 1.00 0.00 C ATOM 1096 O LYS A 70 -1.742 0.473 5.030 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.510 -0.307 7.667 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.077 -0.787 8.985 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.546 -1.139 8.878 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.173 -1.292 10.247 1.00 0.00 C ATOM 1101 NZ LYS A 70 -3.184 -0.007 10.996 1.00 0.00 N ATOM 0 H LYS A 70 0.733 -0.458 5.340 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.168 -2.176 6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.574 -0.238 7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.879 0.700 7.472 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.519 -1.660 9.323 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.944 -0.012 9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.069 -0.362 8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.661 -2.066 8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.194 -1.659 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.623 -2.040 10.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.919 -0.040 11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.256 0.144 11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.385 0.775 10.341 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.146 -1.144 5.694 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.289 -0.570 5.002 1.00 0.00 C ATOM 1117 C LYS A 71 -4.586 0.816 5.570 1.00 0.00 C ATOM 1118 O LYS A 71 -4.673 0.995 6.789 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.512 -1.474 5.140 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.700 -1.018 4.312 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.959 -1.776 4.690 1.00 0.00 C ATOM 1122 CE LYS A 71 -9.152 -1.338 3.859 1.00 0.00 C ATOM 1123 NZ LYS A 71 -8.986 -1.682 2.425 1.00 0.00 N ATOM 0 H LYS A 71 -3.339 -2.018 6.184 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.052 -0.481 3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.240 -2.487 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.806 -1.517 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.859 0.051 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.487 -1.167 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.794 -2.845 4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.175 -1.618 5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.055 -1.812 4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.289 -0.261 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.790 -1.306 1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.102 -1.265 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.949 -2.716 2.318 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.720 1.792 4.688 1.00 0.00 N ATOM 1138 CA ALA A 72 -4.886 3.176 5.098 1.00 0.00 C ATOM 1139 C ALA A 72 -6.358 3.523 5.297 1.00 0.00 C ATOM 1140 O ALA A 72 -7.192 2.648 5.527 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.244 4.102 4.074 1.00 0.00 C ATOM 0 H ALA A 72 -4.717 1.650 3.678 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.387 3.312 6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.373 5.138 4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.181 3.876 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.718 3.956 3.104 1.00 0.00 H new ATOM 1147 N GLY A 73 -6.662 4.812 5.221 1.00 0.00 N ATOM 1148 CA GLY A 73 -8.001 5.287 5.496 1.00 0.00 C ATOM 1149 C GLY A 73 -8.014 6.177 6.716 1.00 0.00 C ATOM 1150 O GLY A 73 -8.803 7.117 6.813 1.00 0.00 O ATOM 0 H GLY A 73 -5.996 5.543 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.381 5.837 4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.668 4.439 5.652 1.00 0.00 H new ATOM 1154 N SER A 74 -7.118 5.878 7.645 1.00 0.00 N ATOM 1155 CA SER A 74 -6.958 6.667 8.851 1.00 0.00 C ATOM 1156 C SER A 74 -6.168 7.939 8.550 1.00 0.00 C ATOM 1157 O SER A 74 -6.783 9.026 8.492 1.00 0.00 O ATOM 1158 CB SER A 74 -6.255 5.829 9.922 1.00 0.00 C ATOM 1159 OG SER A 74 -5.084 5.221 9.396 1.00 0.00 O ATOM 1160 OXT SER A 74 -4.938 7.842 8.343 1.00 0.00 O ATOM 0 H SER A 74 -6.483 5.082 7.581 1.00 0.00 H new ATOM 0 HA SER A 74 -7.939 6.960 9.224 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.993 6.461 10.771 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.934 5.061 10.294 1.00 0.00 H new ATOM 0 HG SER A 74 -4.573 5.883 8.885 1.00 0.00 H new TER 1166 SER A 74