USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 507 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0362 (180deg=-0.193) USER MOD Single : A 3 SER OG : rot 51:sc= 0.301 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc=-0.00665 X(o=-0.0067,f=-0.17) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0436 X(o=-0.044,f=-0.31) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= 0.00455 X(o=0.0045,f=-0.049) USER MOD Single : A 23 SER OG : rot 89:sc= 0.436 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.145 K(o=-0.15,f=-2.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc=-0.00339 X(o=-0.0034,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= -0.0464 (180deg=-0.301) USER MOD Single : A 38 THR OG1 : rot 82:sc= 0.922 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0387 X(o=-0.039,f=-0.52) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc=0.000198 (180deg=-0.411) USER MOD Single : A 60 CYS SG : rot -158:sc= 0.00399 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.714 -24.847 16.098 1.00 0.00 N ATOM 2 CA MET A 1 -9.859 -26.130 15.419 1.00 0.00 C ATOM 3 C MET A 1 -11.242 -26.258 14.788 1.00 0.00 C ATOM 4 O MET A 1 -11.818 -27.345 14.747 1.00 0.00 O ATOM 5 CB MET A 1 -9.624 -27.280 16.399 1.00 0.00 C ATOM 6 CG MET A 1 -8.179 -27.404 16.856 1.00 0.00 C ATOM 7 SD MET A 1 -7.976 -27.068 18.615 1.00 0.00 S ATOM 8 CE MET A 1 -6.405 -26.207 18.616 1.00 0.00 C ATOM 0 H1 MET A 1 -8.866 -24.866 16.699 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.621 -24.089 15.392 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.552 -24.670 16.688 1.00 0.00 H new ATOM 0 HA MET A 1 -9.112 -26.180 14.627 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.262 -27.139 17.272 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.929 -28.215 15.929 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.818 -28.409 16.638 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.560 -26.712 16.284 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.141 -25.932 19.637 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.633 -26.858 18.205 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.483 -25.307 18.007 1.00 0.00 H new ATOM 18 N VAL A 2 -11.770 -25.141 14.298 1.00 0.00 N ATOM 19 CA VAL A 2 -13.085 -25.129 13.669 1.00 0.00 C ATOM 20 C VAL A 2 -12.982 -24.787 12.187 1.00 0.00 C ATOM 21 O VAL A 2 -13.841 -25.165 11.390 1.00 0.00 O ATOM 22 CB VAL A 2 -14.026 -24.119 14.353 1.00 0.00 C ATOM 23 CG1 VAL A 2 -13.478 -22.706 14.224 1.00 0.00 C ATOM 24 CG2 VAL A 2 -15.426 -24.213 13.766 1.00 0.00 C ATOM 0 H VAL A 2 -11.307 -24.233 14.325 1.00 0.00 H new ATOM 0 HA VAL A 2 -13.498 -26.132 13.780 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.085 -24.364 15.413 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.156 -22.007 14.713 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.497 -22.651 14.697 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.387 -22.446 13.169 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -16.077 -23.493 14.261 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.388 -23.995 12.699 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -15.817 -25.219 13.917 1.00 0.00 H new ATOM 34 N SER A 3 -11.925 -24.068 11.823 1.00 0.00 N ATOM 35 CA SER A 3 -11.711 -23.671 10.436 1.00 0.00 C ATOM 36 C SER A 3 -10.314 -23.086 10.248 1.00 0.00 C ATOM 37 O SER A 3 -10.090 -21.900 10.491 1.00 0.00 O ATOM 38 CB SER A 3 -12.766 -22.651 10.006 1.00 0.00 C ATOM 39 OG SER A 3 -13.754 -23.253 9.188 1.00 0.00 O ATOM 0 H SER A 3 -11.203 -23.748 12.469 1.00 0.00 H new ATOM 0 HA SER A 3 -11.801 -24.560 9.812 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.236 -22.215 10.888 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.288 -21.835 9.464 1.00 0.00 H new ATOM 0 HG SER A 3 -14.097 -24.058 9.629 1.00 0.00 H new ATOM 45 N GLN A 4 -9.381 -23.926 9.814 1.00 0.00 N ATOM 46 CA GLN A 4 -8.006 -23.492 9.594 1.00 0.00 C ATOM 47 C GLN A 4 -7.721 -23.318 8.106 1.00 0.00 C ATOM 48 O GLN A 4 -8.434 -23.858 7.259 1.00 0.00 O ATOM 49 CB GLN A 4 -7.028 -24.501 10.198 1.00 0.00 C ATOM 50 CG GLN A 4 -5.881 -23.856 10.960 1.00 0.00 C ATOM 51 CD GLN A 4 -6.153 -23.757 12.449 1.00 0.00 C ATOM 52 OE1 GLN A 4 -6.407 -24.762 13.113 1.00 0.00 O ATOM 53 NE2 GLN A 4 -6.100 -22.542 12.981 1.00 0.00 N ATOM 0 H GLN A 4 -9.551 -24.910 9.608 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.873 -22.528 10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.572 -25.164 10.870 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.620 -25.121 9.400 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -4.971 -24.434 10.798 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -5.700 -22.858 10.560 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.886 -21.737 12.393 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.273 -22.414 13.978 1.00 0.00 H new ATOM 62 N LYS A 5 -6.675 -22.562 7.793 1.00 0.00 N ATOM 63 CA LYS A 5 -6.295 -22.316 6.407 1.00 0.00 C ATOM 64 C LYS A 5 -4.778 -22.224 6.267 1.00 0.00 C ATOM 65 O LYS A 5 -4.110 -21.580 7.074 1.00 0.00 O ATOM 66 CB LYS A 5 -6.944 -21.027 5.899 1.00 0.00 C ATOM 67 CG LYS A 5 -6.666 -19.819 6.777 1.00 0.00 C ATOM 68 CD LYS A 5 -7.525 -18.631 6.379 1.00 0.00 C ATOM 69 CE LYS A 5 -7.190 -18.145 4.977 1.00 0.00 C ATOM 70 NZ LYS A 5 -7.119 -16.660 4.907 1.00 0.00 N ATOM 0 H LYS A 5 -6.074 -22.108 8.481 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.648 -23.154 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.585 -20.823 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.022 -21.175 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.857 -20.074 7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.613 -19.549 6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.578 -18.910 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.378 -17.819 7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.236 -18.569 4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.944 -18.506 4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.889 -16.369 3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.037 -16.255 5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.382 -16.317 5.555 1.00 0.00 H new ATOM 84 N ASN A 6 -4.243 -22.872 5.237 1.00 0.00 N ATOM 85 CA ASN A 6 -2.806 -22.862 4.992 1.00 0.00 C ATOM 86 C ASN A 6 -2.469 -23.604 3.702 1.00 0.00 C ATOM 87 O ASN A 6 -2.324 -24.826 3.697 1.00 0.00 O ATOM 88 CB ASN A 6 -2.062 -23.496 6.168 1.00 0.00 C ATOM 89 CG ASN A 6 -0.777 -22.763 6.503 1.00 0.00 C ATOM 90 OD1 ASN A 6 -0.775 -21.547 6.697 1.00 0.00 O ATOM 91 ND2 ASN A 6 0.324 -23.502 6.573 1.00 0.00 N ATOM 0 H ASN A 6 -4.783 -23.410 4.559 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.488 -21.825 4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.711 -23.504 7.043 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.833 -24.535 5.932 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.218 -23.065 6.795 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.275 -24.507 6.405 1.00 0.00 H new ATOM 98 N GLY A 7 -2.345 -22.857 2.610 1.00 0.00 N ATOM 99 CA GLY A 7 -2.026 -23.461 1.330 1.00 0.00 C ATOM 100 C GLY A 7 -0.620 -23.132 0.868 1.00 0.00 C ATOM 101 O GLY A 7 -0.030 -22.146 1.309 1.00 0.00 O ATOM 0 H GLY A 7 -2.460 -21.844 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.137 -24.543 1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.741 -23.118 0.582 1.00 0.00 H new ATOM 105 N ILE A 8 -0.083 -23.961 -0.021 1.00 0.00 N ATOM 106 CA ILE A 8 1.263 -23.753 -0.542 1.00 0.00 C ATOM 107 C ILE A 8 1.226 -23.309 -2.000 1.00 0.00 C ATOM 108 O ILE A 8 2.148 -22.652 -2.483 1.00 0.00 O ATOM 109 CB ILE A 8 2.114 -25.032 -0.428 1.00 0.00 C ATOM 110 CG1 ILE A 8 1.367 -26.223 -1.030 1.00 0.00 C ATOM 111 CG2 ILE A 8 2.471 -25.303 1.026 1.00 0.00 C ATOM 112 CD1 ILE A 8 2.177 -27.501 -1.043 1.00 0.00 C ATOM 0 H ILE A 8 -0.559 -24.782 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 8 1.718 -22.968 0.063 1.00 0.00 H new ATOM 0 HB ILE A 8 3.038 -24.887 -0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.450 -26.389 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.073 -25.979 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.072 -26.210 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.039 -24.462 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.558 -25.431 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.584 -28.303 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.082 -27.352 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.449 -27.770 -0.022 1.00 0.00 H new ATOM 124 N ALA A 9 0.152 -23.669 -2.695 1.00 0.00 N ATOM 125 CA ALA A 9 -0.007 -23.304 -4.097 1.00 0.00 C ATOM 126 C ALA A 9 -0.012 -21.790 -4.273 1.00 0.00 C ATOM 127 O ALA A 9 0.330 -21.277 -5.339 1.00 0.00 O ATOM 128 CB ALA A 9 -1.288 -23.906 -4.657 1.00 0.00 C ATOM 0 H ALA A 9 -0.620 -24.213 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 9 0.843 -23.705 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.394 -23.625 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.246 -24.992 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.143 -23.532 -4.093 1.00 0.00 H new ATOM 134 N THR A 10 -0.401 -21.077 -3.221 1.00 0.00 N ATOM 135 CA THR A 10 -0.452 -19.621 -3.260 1.00 0.00 C ATOM 136 C THR A 10 0.898 -19.035 -3.657 1.00 0.00 C ATOM 137 O THR A 10 0.965 -17.990 -4.307 1.00 0.00 O ATOM 138 CB THR A 10 -0.872 -19.037 -1.898 1.00 0.00 C ATOM 139 OG1 THR A 10 -2.166 -19.528 -1.532 1.00 0.00 O ATOM 140 CG2 THR A 10 -0.895 -17.517 -1.945 1.00 0.00 C ATOM 0 H THR A 10 -0.686 -21.485 -2.330 1.00 0.00 H new ATOM 0 HA THR A 10 -1.197 -19.350 -4.008 1.00 0.00 H new ATOM 0 HB THR A 10 -0.141 -19.350 -1.152 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.425 -19.153 -0.664 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.194 -17.127 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.099 -17.146 -2.194 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.606 -17.187 -2.702 1.00 0.00 H new ATOM 148 N LEU A 11 1.971 -19.712 -3.264 1.00 0.00 N ATOM 149 CA LEU A 11 3.321 -19.258 -3.580 1.00 0.00 C ATOM 150 C LEU A 11 3.536 -19.199 -5.089 1.00 0.00 C ATOM 151 O LEU A 11 4.233 -18.318 -5.594 1.00 0.00 O ATOM 152 CB LEU A 11 4.355 -20.187 -2.942 1.00 0.00 C ATOM 153 CG LEU A 11 5.338 -19.531 -1.972 1.00 0.00 C ATOM 154 CD1 LEU A 11 6.196 -18.504 -2.695 1.00 0.00 C ATOM 155 CD2 LEU A 11 4.593 -18.885 -0.813 1.00 0.00 C ATOM 0 H LEU A 11 1.933 -20.578 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 11 3.445 -18.254 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.825 -20.978 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.926 -20.665 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 11 5.993 -20.304 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.890 -18.047 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.758 -18.994 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.556 -17.733 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.309 -18.423 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.913 -18.124 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.023 -19.645 -0.279 1.00 0.00 H new ATOM 167 N LEU A 12 2.931 -20.141 -5.805 1.00 0.00 N ATOM 168 CA LEU A 12 3.054 -20.195 -7.257 1.00 0.00 C ATOM 169 C LEU A 12 2.634 -18.872 -7.890 1.00 0.00 C ATOM 170 O LEU A 12 3.150 -18.483 -8.937 1.00 0.00 O ATOM 171 CB LEU A 12 2.202 -21.335 -7.819 1.00 0.00 C ATOM 172 CG LEU A 12 2.517 -21.766 -9.251 1.00 0.00 C ATOM 173 CD1 LEU A 12 3.775 -22.620 -9.287 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.341 -22.521 -9.853 1.00 0.00 C ATOM 0 H LEU A 12 2.351 -20.877 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 12 4.101 -20.377 -7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.315 -22.201 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.155 -21.036 -7.773 1.00 0.00 H new ATOM 0 HG LEU A 12 2.692 -20.871 -9.848 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.984 -22.918 -10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.616 -22.046 -8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.629 -23.510 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.584 -22.820 -10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.134 -23.408 -9.255 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.462 -21.877 -9.863 1.00 0.00 H new ATOM 186 N GLN A 13 1.697 -18.185 -7.244 1.00 0.00 N ATOM 187 CA GLN A 13 1.209 -16.904 -7.743 1.00 0.00 C ATOM 188 C GLN A 13 2.277 -15.824 -7.604 1.00 0.00 C ATOM 189 O GLN A 13 2.483 -15.021 -8.513 1.00 0.00 O ATOM 190 CB GLN A 13 -0.056 -16.488 -6.992 1.00 0.00 C ATOM 191 CG GLN A 13 -1.120 -15.871 -7.885 1.00 0.00 C ATOM 192 CD GLN A 13 -2.329 -16.768 -8.058 1.00 0.00 C ATOM 193 OE1 GLN A 13 -2.841 -17.332 -7.091 1.00 0.00 O ATOM 194 NE2 GLN A 13 -2.794 -16.904 -9.295 1.00 0.00 N ATOM 0 H GLN A 13 1.261 -18.493 -6.375 1.00 0.00 H new ATOM 0 HA GLN A 13 0.972 -17.021 -8.800 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.475 -17.361 -6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.212 -15.773 -6.214 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.437 -14.918 -7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.689 -15.657 -8.863 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.339 -16.418 -10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.607 -17.495 -9.472 1.00 0.00 H new ATOM 203 N ALA A 14 2.951 -15.810 -6.459 1.00 0.00 N ATOM 204 CA ALA A 14 3.998 -14.829 -6.201 1.00 0.00 C ATOM 205 C ALA A 14 5.200 -15.056 -7.112 1.00 0.00 C ATOM 206 O ALA A 14 5.771 -14.107 -7.648 1.00 0.00 O ATOM 207 CB ALA A 14 4.423 -14.883 -4.741 1.00 0.00 C ATOM 0 H ALA A 14 2.791 -16.467 -5.695 1.00 0.00 H new ATOM 0 HA ALA A 14 3.595 -13.839 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.205 -14.145 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.566 -14.664 -4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.803 -15.878 -4.509 1.00 0.00 H new ATOM 213 N GLU A 15 5.577 -16.320 -7.282 1.00 0.00 N ATOM 214 CA GLU A 15 6.713 -16.669 -8.128 1.00 0.00 C ATOM 215 C GLU A 15 6.414 -16.363 -9.593 1.00 0.00 C ATOM 216 O GLU A 15 7.241 -15.787 -10.299 1.00 0.00 O ATOM 217 CB GLU A 15 7.061 -18.150 -7.966 1.00 0.00 C ATOM 218 CG GLU A 15 7.397 -18.544 -6.537 1.00 0.00 C ATOM 219 CD GLU A 15 7.931 -19.959 -6.432 1.00 0.00 C ATOM 220 OE1 GLU A 15 8.452 -20.473 -7.444 1.00 0.00 O ATOM 221 OE2 GLU A 15 7.828 -20.553 -5.339 1.00 0.00 O ATOM 0 H GLU A 15 5.114 -17.117 -6.846 1.00 0.00 H new ATOM 0 HA GLU A 15 7.566 -16.066 -7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.221 -18.752 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.909 -18.388 -8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.136 -17.850 -6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.504 -18.450 -5.919 1.00 0.00 H new ATOM 228 N LYS A 16 5.227 -16.754 -10.043 1.00 0.00 N ATOM 229 CA LYS A 16 4.817 -16.522 -11.423 1.00 0.00 C ATOM 230 C LYS A 16 4.765 -15.029 -11.731 1.00 0.00 C ATOM 231 O LYS A 16 5.326 -14.572 -12.726 1.00 0.00 O ATOM 232 CB LYS A 16 3.448 -17.155 -11.683 1.00 0.00 C ATOM 233 CG LYS A 16 3.510 -18.649 -11.952 1.00 0.00 C ATOM 234 CD LYS A 16 2.965 -18.990 -13.329 1.00 0.00 C ATOM 235 CE LYS A 16 1.444 -18.971 -13.346 1.00 0.00 C ATOM 236 NZ LYS A 16 0.898 -19.463 -14.642 1.00 0.00 N ATOM 0 H LYS A 16 4.531 -17.233 -9.472 1.00 0.00 H new ATOM 0 HA LYS A 16 5.555 -16.985 -12.078 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.805 -16.976 -10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.984 -16.660 -12.536 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.542 -18.991 -11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.938 -19.181 -11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.347 -18.277 -14.060 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.321 -19.976 -13.629 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.064 -19.590 -12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.091 -17.956 -13.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.141 -19.435 -14.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.240 -18.857 -15.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.213 -20.441 -14.803 1.00 0.00 H new ATOM 250 N GLU A 17 4.089 -14.275 -10.870 1.00 0.00 N ATOM 251 CA GLU A 17 3.965 -12.833 -11.052 1.00 0.00 C ATOM 252 C GLU A 17 5.336 -12.163 -11.039 1.00 0.00 C ATOM 253 O GLU A 17 5.629 -11.306 -11.872 1.00 0.00 O ATOM 254 CB GLU A 17 3.081 -12.232 -9.957 1.00 0.00 C ATOM 255 CG GLU A 17 1.593 -12.375 -10.229 1.00 0.00 C ATOM 256 CD GLU A 17 0.855 -11.054 -10.144 1.00 0.00 C ATOM 257 OE1 GLU A 17 0.976 -10.246 -11.089 1.00 0.00 O ATOM 258 OE2 GLU A 17 0.157 -10.827 -9.134 1.00 0.00 O ATOM 0 H GLU A 17 3.619 -14.638 -10.040 1.00 0.00 H new ATOM 0 HA GLU A 17 3.501 -12.654 -12.022 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.316 -12.713 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.322 -11.175 -9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.448 -12.805 -11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.162 -13.074 -9.513 1.00 0.00 H new ATOM 265 N ALA A 18 6.173 -12.561 -10.086 1.00 0.00 N ATOM 266 CA ALA A 18 7.513 -12.001 -9.964 1.00 0.00 C ATOM 267 C ALA A 18 8.314 -12.208 -11.245 1.00 0.00 C ATOM 268 O ALA A 18 8.923 -11.274 -11.766 1.00 0.00 O ATOM 269 CB ALA A 18 8.239 -12.623 -8.780 1.00 0.00 C ATOM 0 H ALA A 18 5.946 -13.269 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 18 7.417 -10.928 -9.796 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.239 -12.196 -8.701 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.684 -12.419 -7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.316 -13.701 -8.925 1.00 0.00 H new ATOM 275 N HIS A 19 8.308 -13.439 -11.749 1.00 0.00 N ATOM 276 CA HIS A 19 9.034 -13.768 -12.970 1.00 0.00 C ATOM 277 C HIS A 19 8.436 -13.040 -14.170 1.00 0.00 C ATOM 278 O HIS A 19 9.152 -12.658 -15.095 1.00 0.00 O ATOM 279 CB HIS A 19 9.010 -15.278 -13.211 1.00 0.00 C ATOM 280 CG HIS A 19 10.124 -16.011 -12.529 1.00 0.00 C ATOM 281 ND1 HIS A 19 10.240 -16.097 -11.158 1.00 0.00 N ATOM 282 CD2 HIS A 19 11.175 -16.695 -13.037 1.00 0.00 C ATOM 283 CE1 HIS A 19 11.315 -16.801 -10.852 1.00 0.00 C ATOM 284 NE2 HIS A 19 11.900 -17.177 -11.975 1.00 0.00 N ATOM 0 H HIS A 19 7.809 -14.224 -11.331 1.00 0.00 H new ATOM 0 HA HIS A 19 10.067 -13.443 -12.848 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.057 -15.678 -12.864 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.064 -15.467 -14.283 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.596 -15.682 -10.485 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.402 -16.836 -14.084 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.657 -17.030 -9.854 1.00 0.00 H new ATOM 292 N GLU A 20 7.121 -12.852 -14.147 1.00 0.00 N ATOM 293 CA GLU A 20 6.428 -12.171 -15.235 1.00 0.00 C ATOM 294 C GLU A 20 6.881 -10.718 -15.343 1.00 0.00 C ATOM 295 O GLU A 20 7.194 -10.234 -16.432 1.00 0.00 O ATOM 296 CB GLU A 20 4.914 -12.230 -15.021 1.00 0.00 C ATOM 297 CG GLU A 20 4.110 -11.873 -16.260 1.00 0.00 C ATOM 298 CD GLU A 20 2.616 -11.844 -15.998 1.00 0.00 C ATOM 299 OE1 GLU A 20 2.045 -12.914 -15.702 1.00 0.00 O ATOM 300 OE2 GLU A 20 2.020 -10.751 -16.088 1.00 0.00 O ATOM 0 H GLU A 20 6.514 -13.161 -13.388 1.00 0.00 H new ATOM 0 HA GLU A 20 6.676 -12.681 -16.166 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.640 -13.234 -14.697 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.643 -11.550 -14.214 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.430 -10.898 -16.627 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.323 -12.596 -17.048 1.00 0.00 H new ATOM 307 N ILE A 21 6.912 -10.028 -14.208 1.00 0.00 N ATOM 308 CA ILE A 21 7.327 -8.631 -14.175 1.00 0.00 C ATOM 309 C ILE A 21 8.809 -8.490 -14.505 1.00 0.00 C ATOM 310 O ILE A 21 9.200 -7.636 -15.302 1.00 0.00 O ATOM 311 CB ILE A 21 7.056 -7.996 -12.798 1.00 0.00 C ATOM 312 CG1 ILE A 21 5.569 -8.090 -12.452 1.00 0.00 C ATOM 313 CG2 ILE A 21 7.518 -6.547 -12.784 1.00 0.00 C ATOM 314 CD1 ILE A 21 4.679 -7.304 -13.390 1.00 0.00 C ATOM 0 H ILE A 21 6.655 -10.413 -13.299 1.00 0.00 H new ATOM 0 HA ILE A 21 6.738 -8.109 -14.929 1.00 0.00 H new ATOM 0 HB ILE A 21 7.620 -8.545 -12.044 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.266 -9.137 -12.469 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.418 -7.731 -11.434 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.320 -6.111 -11.805 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.587 -6.504 -12.991 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.978 -5.986 -13.547 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.639 -7.417 -13.084 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.955 -6.250 -13.356 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.801 -7.678 -14.406 1.00 0.00 H new ATOM 326 N VAL A 22 9.630 -9.334 -13.889 1.00 0.00 N ATOM 327 CA VAL A 22 11.070 -9.306 -14.119 1.00 0.00 C ATOM 328 C VAL A 22 11.400 -9.632 -15.571 1.00 0.00 C ATOM 329 O VAL A 22 12.234 -8.973 -16.192 1.00 0.00 O ATOM 330 CB VAL A 22 11.805 -10.300 -13.200 1.00 0.00 C ATOM 331 CG1 VAL A 22 13.300 -10.278 -13.478 1.00 0.00 C ATOM 332 CG2 VAL A 22 11.520 -9.985 -11.739 1.00 0.00 C ATOM 0 H VAL A 22 9.323 -10.046 -13.226 1.00 0.00 H new ATOM 0 HA VAL A 22 11.408 -8.295 -13.891 1.00 0.00 H new ATOM 0 HB VAL A 22 11.436 -11.304 -13.409 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.803 -10.986 -12.820 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.481 -10.556 -14.516 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.689 -9.276 -13.298 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.047 -10.697 -11.104 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.860 -8.975 -11.512 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.448 -10.057 -11.554 1.00 0.00 H new ATOM 342 N SER A 23 10.741 -10.654 -16.107 1.00 0.00 N ATOM 343 CA SER A 23 10.967 -11.071 -17.486 1.00 0.00 C ATOM 344 C SER A 23 10.435 -10.027 -18.463 1.00 0.00 C ATOM 345 O SER A 23 11.096 -9.683 -19.443 1.00 0.00 O ATOM 346 CB SER A 23 10.297 -12.421 -17.749 1.00 0.00 C ATOM 347 OG SER A 23 10.979 -13.468 -17.080 1.00 0.00 O ATOM 0 H SER A 23 10.046 -11.209 -15.607 1.00 0.00 H new ATOM 0 HA SER A 23 12.042 -11.171 -17.638 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.260 -12.387 -17.415 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.281 -12.620 -18.821 1.00 0.00 H new ATOM 0 HG SER A 23 10.614 -13.571 -16.176 1.00 0.00 H new ATOM 353 N LYS A 24 9.235 -9.527 -18.189 1.00 0.00 N ATOM 354 CA LYS A 24 8.612 -8.522 -19.042 1.00 0.00 C ATOM 355 C LYS A 24 9.478 -7.269 -19.128 1.00 0.00 C ATOM 356 O LYS A 24 9.709 -6.736 -20.213 1.00 0.00 O ATOM 357 CB LYS A 24 7.225 -8.159 -18.507 1.00 0.00 C ATOM 358 CG LYS A 24 6.576 -6.996 -19.238 1.00 0.00 C ATOM 359 CD LYS A 24 5.196 -6.687 -18.681 1.00 0.00 C ATOM 360 CE LYS A 24 4.111 -7.447 -19.428 1.00 0.00 C ATOM 361 NZ LYS A 24 2.812 -6.718 -19.412 1.00 0.00 N ATOM 0 H LYS A 24 8.674 -9.802 -17.382 1.00 0.00 H new ATOM 0 HA LYS A 24 8.511 -8.943 -20.042 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.576 -9.032 -18.582 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.306 -7.912 -17.448 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.209 -6.113 -19.154 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.497 -7.231 -20.299 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.162 -6.948 -17.623 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.006 -5.616 -18.751 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.425 -7.608 -20.459 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.981 -8.431 -18.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.099 -7.268 -19.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.500 -6.587 -18.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.930 -5.789 -19.865 1.00 0.00 H new ATOM 375 N ALA A 25 9.957 -6.805 -17.978 1.00 0.00 N ATOM 376 CA ALA A 25 10.801 -5.618 -17.926 1.00 0.00 C ATOM 377 C ALA A 25 12.054 -5.797 -18.776 1.00 0.00 C ATOM 378 O ALA A 25 12.439 -4.901 -19.527 1.00 0.00 O ATOM 379 CB ALA A 25 11.178 -5.302 -16.486 1.00 0.00 C ATOM 0 H ALA A 25 9.775 -7.233 -17.070 1.00 0.00 H new ATOM 0 HA ALA A 25 10.234 -4.781 -18.334 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.808 -4.413 -16.462 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.274 -5.122 -15.904 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.722 -6.145 -16.059 1.00 0.00 H new ATOM 385 N ARG A 26 12.687 -6.959 -18.652 1.00 0.00 N ATOM 386 CA ARG A 26 13.898 -7.254 -19.408 1.00 0.00 C ATOM 387 C ARG A 26 13.599 -7.338 -20.902 1.00 0.00 C ATOM 388 O ARG A 26 14.398 -6.901 -21.731 1.00 0.00 O ATOM 389 CB ARG A 26 14.518 -8.567 -18.926 1.00 0.00 C ATOM 390 CG ARG A 26 15.659 -9.058 -19.801 1.00 0.00 C ATOM 391 CD ARG A 26 15.274 -10.314 -20.567 1.00 0.00 C ATOM 392 NE ARG A 26 16.422 -11.186 -20.803 1.00 0.00 N ATOM 393 CZ ARG A 26 16.422 -12.178 -21.686 1.00 0.00 C ATOM 394 NH1 ARG A 26 15.341 -12.422 -22.413 1.00 0.00 N ATOM 395 NH2 ARG A 26 17.506 -12.927 -21.844 1.00 0.00 N ATOM 0 H ARG A 26 12.381 -7.711 -18.035 1.00 0.00 H new ATOM 0 HA ARG A 26 14.607 -6.443 -19.242 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.883 -8.434 -17.908 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.743 -9.333 -18.890 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.943 -8.275 -20.504 1.00 0.00 H new ATOM 0 HG3 ARG A 26 16.532 -9.262 -19.181 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.513 -10.860 -20.009 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.829 -10.034 -21.522 1.00 0.00 H new ATOM 0 HE ARG A 26 17.270 -11.024 -20.260 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.507 -11.847 -22.295 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.343 -13.184 -23.091 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.340 -12.741 -21.287 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.505 -13.689 -22.522 1.00 0.00 H new ATOM 409 N LYS A 27 12.444 -7.902 -21.238 1.00 0.00 N ATOM 410 CA LYS A 27 12.039 -8.043 -22.631 1.00 0.00 C ATOM 411 C LYS A 27 11.821 -6.678 -23.276 1.00 0.00 C ATOM 412 O LYS A 27 12.220 -6.449 -24.418 1.00 0.00 O ATOM 413 CB LYS A 27 10.758 -8.875 -22.729 1.00 0.00 C ATOM 414 CG LYS A 27 10.193 -8.958 -24.137 1.00 0.00 C ATOM 415 CD LYS A 27 8.855 -8.245 -24.244 1.00 0.00 C ATOM 416 CE LYS A 27 8.726 -7.500 -25.564 1.00 0.00 C ATOM 417 NZ LYS A 27 8.227 -8.384 -26.653 1.00 0.00 N ATOM 0 H LYS A 27 11.772 -8.269 -20.564 1.00 0.00 H new ATOM 0 HA LYS A 27 12.840 -8.554 -23.166 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.961 -9.883 -22.368 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.004 -8.446 -22.069 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.899 -8.516 -24.840 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.073 -10.004 -24.421 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.046 -8.970 -24.154 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.748 -7.543 -23.417 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.046 -6.657 -25.440 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.696 -7.089 -25.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.153 -7.839 -27.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.889 -9.175 -26.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.290 -8.756 -26.396 1.00 0.00 H new ATOM 431 N TYR A 28 11.188 -5.774 -22.536 1.00 0.00 N ATOM 432 CA TYR A 28 10.918 -4.431 -23.036 1.00 0.00 C ATOM 433 C TYR A 28 12.207 -3.626 -23.161 1.00 0.00 C ATOM 434 O TYR A 28 12.429 -2.938 -24.158 1.00 0.00 O ATOM 435 CB TYR A 28 9.939 -3.707 -22.110 1.00 0.00 C ATOM 436 CG TYR A 28 8.600 -3.419 -22.751 1.00 0.00 C ATOM 437 CD1 TYR A 28 7.601 -4.384 -22.783 1.00 0.00 C ATOM 438 CD2 TYR A 28 8.334 -2.182 -23.325 1.00 0.00 C ATOM 439 CE1 TYR A 28 6.376 -4.125 -23.367 1.00 0.00 C ATOM 440 CE2 TYR A 28 7.112 -1.914 -23.910 1.00 0.00 C ATOM 441 CZ TYR A 28 6.136 -2.889 -23.929 1.00 0.00 C ATOM 442 OH TYR A 28 4.918 -2.626 -24.513 1.00 0.00 O ATOM 0 H TYR A 28 10.852 -5.947 -21.588 1.00 0.00 H new ATOM 0 HA TYR A 28 10.472 -4.523 -24.026 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.782 -4.311 -21.217 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.386 -2.768 -21.785 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.785 -5.353 -22.344 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.096 -1.417 -23.314 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.610 -4.887 -23.383 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.921 -0.946 -24.350 1.00 0.00 H new ATOM 0 HH TYR A 28 4.913 -1.709 -24.860 1.00 0.00 H new ATOM 452 N ARG A 29 13.055 -3.718 -22.142 1.00 0.00 N ATOM 453 CA ARG A 29 14.323 -2.998 -22.136 1.00 0.00 C ATOM 454 C ARG A 29 15.249 -3.518 -23.232 1.00 0.00 C ATOM 455 O ARG A 29 15.867 -2.738 -23.957 1.00 0.00 O ATOM 456 CB ARG A 29 15.004 -3.133 -20.773 1.00 0.00 C ATOM 457 CG ARG A 29 16.135 -2.141 -20.556 1.00 0.00 C ATOM 458 CD ARG A 29 15.965 -1.377 -19.253 1.00 0.00 C ATOM 459 NE ARG A 29 16.170 -2.231 -18.086 1.00 0.00 N ATOM 460 CZ ARG A 29 16.356 -1.764 -16.857 1.00 0.00 C ATOM 461 NH1 ARG A 29 16.361 -0.456 -16.634 1.00 0.00 N ATOM 462 NH2 ARG A 29 16.536 -2.605 -15.846 1.00 0.00 N ATOM 0 H ARG A 29 12.887 -4.284 -21.310 1.00 0.00 H new ATOM 0 HA ARG A 29 14.115 -1.946 -22.329 1.00 0.00 H new ATOM 0 HB2 ARG A 29 14.259 -2.998 -19.989 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.395 -4.145 -20.670 1.00 0.00 H new ATOM 0 HG2 ARG A 29 17.088 -2.670 -20.547 1.00 0.00 H new ATOM 0 HG3 ARG A 29 16.169 -1.439 -21.389 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.672 -0.548 -19.224 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.965 -0.944 -19.214 1.00 0.00 H new ATOM 0 HE ARG A 29 16.170 -3.242 -18.223 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.222 0.194 -17.408 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.504 -0.100 -15.689 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.532 -3.611 -16.013 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.679 -2.245 -14.902 1.00 0.00 H new ATOM 476 N GLN A 30 15.339 -4.839 -23.346 1.00 0.00 N ATOM 477 CA GLN A 30 16.189 -5.462 -24.353 1.00 0.00 C ATOM 478 C GLN A 30 15.687 -5.151 -25.759 1.00 0.00 C ATOM 479 O GLN A 30 16.468 -4.810 -26.647 1.00 0.00 O ATOM 480 CB GLN A 30 16.242 -6.976 -24.141 1.00 0.00 C ATOM 481 CG GLN A 30 17.234 -7.407 -23.072 1.00 0.00 C ATOM 482 CD GLN A 30 18.642 -7.562 -23.612 1.00 0.00 C ATOM 483 OE1 GLN A 30 18.857 -7.573 -24.825 1.00 0.00 O ATOM 484 NE2 GLN A 30 19.611 -7.684 -22.713 1.00 0.00 N ATOM 0 H GLN A 30 14.834 -5.498 -22.754 1.00 0.00 H new ATOM 0 HA GLN A 30 17.193 -5.052 -24.247 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.249 -7.331 -23.867 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.504 -7.457 -25.083 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.237 -6.673 -22.267 1.00 0.00 H new ATOM 0 HG3 GLN A 30 16.908 -8.353 -22.640 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.388 -7.670 -21.718 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.578 -7.792 -23.017 1.00 0.00 H new ATOM 493 N ASP A 31 14.378 -5.272 -25.954 1.00 0.00 N ATOM 494 CA ASP A 31 13.771 -5.002 -27.252 1.00 0.00 C ATOM 495 C ASP A 31 13.843 -3.516 -27.588 1.00 0.00 C ATOM 496 O ASP A 31 13.952 -3.137 -28.754 1.00 0.00 O ATOM 497 CB ASP A 31 12.315 -5.470 -27.265 1.00 0.00 C ATOM 498 CG ASP A 31 11.579 -5.040 -28.518 1.00 0.00 C ATOM 499 OD1 ASP A 31 12.101 -5.283 -29.626 1.00 0.00 O ATOM 500 OD2 ASP A 31 10.480 -4.460 -28.391 1.00 0.00 O ATOM 0 H ASP A 31 13.718 -5.555 -25.230 1.00 0.00 H new ATOM 0 HA ASP A 31 14.329 -5.554 -28.008 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.285 -6.557 -27.185 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.801 -5.072 -26.390 1.00 0.00 H new ATOM 505 N LYS A 32 13.781 -2.678 -26.559 1.00 0.00 N ATOM 506 CA LYS A 32 13.840 -1.233 -26.743 1.00 0.00 C ATOM 507 C LYS A 32 15.240 -0.794 -27.160 1.00 0.00 C ATOM 508 O LYS A 32 15.405 -0.037 -28.117 1.00 0.00 O ATOM 509 CB LYS A 32 13.431 -0.517 -25.454 1.00 0.00 C ATOM 510 CG LYS A 32 13.388 0.996 -25.587 1.00 0.00 C ATOM 511 CD LYS A 32 13.375 1.674 -24.227 1.00 0.00 C ATOM 512 CE LYS A 32 11.988 1.646 -23.603 1.00 0.00 C ATOM 513 NZ LYS A 32 12.039 1.318 -22.152 1.00 0.00 N ATOM 0 H LYS A 32 13.690 -2.975 -25.588 1.00 0.00 H new ATOM 0 HA LYS A 32 13.143 -0.964 -27.537 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.449 -0.874 -25.146 1.00 0.00 H new ATOM 0 HB3 LYS A 32 14.131 -0.784 -24.662 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.253 1.337 -26.157 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.501 1.288 -26.149 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.083 1.176 -23.564 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.707 2.707 -24.331 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.509 2.615 -23.739 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.372 0.910 -24.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.074 1.309 -21.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.473 0.382 -22.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.606 2.034 -21.654 1.00 0.00 H new ATOM 527 N LEU A 33 16.245 -1.275 -26.437 1.00 0.00 N ATOM 528 CA LEU A 33 17.632 -0.934 -26.732 1.00 0.00 C ATOM 529 C LEU A 33 18.089 -1.587 -28.033 1.00 0.00 C ATOM 530 O LEU A 33 18.918 -1.038 -28.759 1.00 0.00 O ATOM 531 CB LEU A 33 18.542 -1.370 -25.582 1.00 0.00 C ATOM 532 CG LEU A 33 18.969 -2.838 -25.584 1.00 0.00 C ATOM 533 CD1 LEU A 33 20.261 -3.017 -26.366 1.00 0.00 C ATOM 534 CD2 LEU A 33 19.131 -3.348 -24.159 1.00 0.00 C ATOM 0 H LEU A 33 16.125 -1.903 -25.642 1.00 0.00 H new ATOM 0 HA LEU A 33 17.697 0.148 -26.848 1.00 0.00 H new ATOM 0 HB2 LEU A 33 19.439 -0.751 -25.601 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.031 -1.162 -24.642 1.00 0.00 H new ATOM 0 HG LEU A 33 18.189 -3.423 -26.072 1.00 0.00 H new ATOM 0 HD11 LEU A 33 20.549 -4.068 -26.356 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.111 -2.691 -27.395 1.00 0.00 H new ATOM 0 HD13 LEU A 33 21.050 -2.420 -25.907 1.00 0.00 H new ATOM 0 HD21 LEU A 33 19.435 -4.394 -24.179 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.891 -2.759 -23.646 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.183 -3.256 -23.630 1.00 0.00 H new ATOM 546 N LYS A 34 17.541 -2.763 -28.322 1.00 0.00 N ATOM 547 CA LYS A 34 17.889 -3.491 -29.537 1.00 0.00 C ATOM 548 C LYS A 34 17.295 -2.812 -30.767 1.00 0.00 C ATOM 549 O LYS A 34 17.970 -2.647 -31.782 1.00 0.00 O ATOM 550 CB LYS A 34 17.392 -4.936 -29.449 1.00 0.00 C ATOM 551 CG LYS A 34 17.610 -5.732 -30.724 1.00 0.00 C ATOM 552 CD LYS A 34 17.090 -7.154 -30.589 1.00 0.00 C ATOM 553 CE LYS A 34 17.923 -7.960 -29.605 1.00 0.00 C ATOM 554 NZ LYS A 34 18.100 -9.369 -30.052 1.00 0.00 N ATOM 0 H LYS A 34 16.854 -3.232 -27.731 1.00 0.00 H new ATOM 0 HA LYS A 34 18.975 -3.491 -29.633 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.901 -5.437 -28.626 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.328 -4.932 -29.210 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.106 -5.237 -31.554 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.673 -5.753 -30.963 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.052 -7.133 -30.257 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.103 -7.642 -31.564 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.900 -7.491 -29.487 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.443 -7.947 -28.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.673 -9.885 -29.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.169 -9.825 -30.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.581 -9.383 -30.974 1.00 0.00 H new ATOM 568 N GLN A 35 16.028 -2.420 -30.668 1.00 0.00 N ATOM 569 CA GLN A 35 15.345 -1.759 -31.773 1.00 0.00 C ATOM 570 C GLN A 35 15.907 -0.359 -32.001 1.00 0.00 C ATOM 571 O GLN A 35 16.099 0.065 -33.140 1.00 0.00 O ATOM 572 CB GLN A 35 13.843 -1.679 -31.497 1.00 0.00 C ATOM 573 CG GLN A 35 13.038 -1.130 -32.664 1.00 0.00 C ATOM 574 CD GLN A 35 12.165 0.045 -32.269 1.00 0.00 C ATOM 575 OE1 GLN A 35 10.948 -0.087 -32.137 1.00 0.00 O ATOM 576 NE2 GLN A 35 12.784 1.205 -32.079 1.00 0.00 N ATOM 0 H GLN A 35 15.455 -2.549 -29.834 1.00 0.00 H new ATOM 0 HA GLN A 35 15.511 -2.349 -32.674 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.474 -2.674 -31.248 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.676 -1.050 -30.623 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.719 -0.821 -33.457 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.411 -1.922 -33.073 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.795 1.269 -32.199 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.248 2.031 -31.813 1.00 0.00 H new ATOM 585 N ALA A 36 16.168 0.353 -30.910 1.00 0.00 N ATOM 586 CA ALA A 36 16.709 1.704 -30.991 1.00 0.00 C ATOM 587 C ALA A 36 18.132 1.693 -31.541 1.00 0.00 C ATOM 588 O ALA A 36 18.468 2.468 -32.437 1.00 0.00 O ATOM 589 CB ALA A 36 16.676 2.369 -29.622 1.00 0.00 C ATOM 0 H ALA A 36 16.014 0.017 -29.959 1.00 0.00 H new ATOM 0 HA ALA A 36 16.086 2.278 -31.677 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.083 3.377 -29.697 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.647 2.419 -29.266 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.275 1.788 -28.921 1.00 0.00 H new ATOM 595 N LYS A 37 18.964 0.811 -30.999 1.00 0.00 N ATOM 596 CA LYS A 37 20.351 0.699 -31.436 1.00 0.00 C ATOM 597 C LYS A 37 20.429 0.424 -32.934 1.00 0.00 C ATOM 598 O LYS A 37 21.187 1.072 -33.656 1.00 0.00 O ATOM 599 CB LYS A 37 21.061 -0.416 -30.664 1.00 0.00 C ATOM 600 CG LYS A 37 21.565 0.015 -29.298 1.00 0.00 C ATOM 601 CD LYS A 37 23.076 0.173 -29.285 1.00 0.00 C ATOM 602 CE LYS A 37 23.513 1.288 -28.347 1.00 0.00 C ATOM 603 NZ LYS A 37 23.111 2.629 -28.855 1.00 0.00 N ATOM 0 H LYS A 37 18.702 0.163 -30.256 1.00 0.00 H new ATOM 0 HA LYS A 37 20.848 1.647 -31.233 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.375 -1.254 -30.541 1.00 0.00 H new ATOM 0 HB3 LYS A 37 21.903 -0.777 -31.255 1.00 0.00 H new ATOM 0 HG2 LYS A 37 21.097 0.959 -29.018 1.00 0.00 H new ATOM 0 HG3 LYS A 37 21.269 -0.722 -28.551 1.00 0.00 H new ATOM 0 HD2 LYS A 37 23.538 -0.765 -28.977 1.00 0.00 H new ATOM 0 HD3 LYS A 37 23.429 0.386 -30.294 1.00 0.00 H new ATOM 0 HE2 LYS A 37 23.075 1.126 -27.362 1.00 0.00 H new ATOM 0 HE3 LYS A 37 24.596 1.256 -28.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 23.727 3.357 -28.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 23.202 2.649 -29.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 22.123 2.819 -28.590 1.00 0.00 H new ATOM 617 N THR A 38 19.639 -0.540 -33.396 1.00 0.00 N ATOM 618 CA THR A 38 19.618 -0.900 -34.808 1.00 0.00 C ATOM 619 C THR A 38 19.186 0.281 -35.671 1.00 0.00 C ATOM 620 O THR A 38 19.785 0.553 -36.712 1.00 0.00 O ATOM 621 CB THR A 38 18.672 -2.087 -35.072 1.00 0.00 C ATOM 622 OG1 THR A 38 19.093 -3.227 -34.315 1.00 0.00 O ATOM 623 CG2 THR A 38 18.643 -2.437 -36.552 1.00 0.00 C ATOM 0 H THR A 38 19.005 -1.086 -32.812 1.00 0.00 H new ATOM 0 HA THR A 38 20.635 -1.189 -35.075 1.00 0.00 H new ATOM 0 HB THR A 38 17.667 -1.798 -34.764 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.764 -3.149 -33.395 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.968 -3.278 -36.714 1.00 0.00 H new ATOM 0 HG22 THR A 38 18.294 -1.576 -37.123 1.00 0.00 H new ATOM 0 HG23 THR A 38 19.646 -2.708 -36.882 1.00 0.00 H new ATOM 631 N ASP A 39 18.145 0.979 -35.231 1.00 0.00 N ATOM 632 CA ASP A 39 17.635 2.133 -35.962 1.00 0.00 C ATOM 633 C ASP A 39 18.715 3.198 -36.120 1.00 0.00 C ATOM 634 O ASP A 39 18.891 3.762 -37.199 1.00 0.00 O ATOM 635 CB ASP A 39 16.421 2.723 -35.242 1.00 0.00 C ATOM 636 CG ASP A 39 15.154 1.930 -35.498 1.00 0.00 C ATOM 637 OD1 ASP A 39 15.253 0.818 -36.059 1.00 0.00 O ATOM 638 OD2 ASP A 39 14.065 2.420 -35.136 1.00 0.00 O ATOM 0 H ASP A 39 17.638 0.766 -34.372 1.00 0.00 H new ATOM 0 HA ASP A 39 17.333 1.799 -36.954 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.617 2.753 -34.170 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.274 3.753 -35.568 1.00 0.00 H new ATOM 643 N ALA A 40 19.436 3.468 -35.036 1.00 0.00 N ATOM 644 CA ALA A 40 20.499 4.464 -35.055 1.00 0.00 C ATOM 645 C ALA A 40 21.619 4.054 -36.005 1.00 0.00 C ATOM 646 O ALA A 40 22.090 4.858 -36.809 1.00 0.00 O ATOM 647 CB ALA A 40 21.047 4.678 -33.651 1.00 0.00 C ATOM 0 H ALA A 40 19.303 3.010 -34.134 1.00 0.00 H new ATOM 0 HA ALA A 40 20.077 5.402 -35.416 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.841 5.425 -33.680 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.247 5.024 -32.997 1.00 0.00 H new ATOM 0 HB3 ALA A 40 21.447 3.738 -33.269 1.00 0.00 H new ATOM 653 N ALA A 41 22.042 2.798 -35.907 1.00 0.00 N ATOM 654 CA ALA A 41 23.105 2.281 -36.759 1.00 0.00 C ATOM 655 C ALA A 41 22.750 2.432 -38.234 1.00 0.00 C ATOM 656 O ALA A 41 23.568 2.877 -39.039 1.00 0.00 O ATOM 657 CB ALA A 41 23.385 0.822 -36.428 1.00 0.00 C ATOM 0 H ALA A 41 21.664 2.120 -35.246 1.00 0.00 H new ATOM 0 HA ALA A 41 24.005 2.865 -36.568 1.00 0.00 H new ATOM 0 HB1 ALA A 41 24.181 0.449 -37.072 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.692 0.738 -35.386 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.482 0.233 -36.589 1.00 0.00 H new ATOM 663 N LYS A 42 21.524 2.057 -38.583 1.00 0.00 N ATOM 664 CA LYS A 42 21.058 2.151 -39.962 1.00 0.00 C ATOM 665 C LYS A 42 20.927 3.608 -40.394 1.00 0.00 C ATOM 666 O LYS A 42 21.191 3.949 -41.546 1.00 0.00 O ATOM 667 CB LYS A 42 19.713 1.438 -40.117 1.00 0.00 C ATOM 668 CG LYS A 42 19.563 0.703 -41.437 1.00 0.00 C ATOM 669 CD LYS A 42 18.928 -0.664 -41.245 1.00 0.00 C ATOM 670 CE LYS A 42 17.460 -0.548 -40.862 1.00 0.00 C ATOM 671 NZ LYS A 42 16.827 -1.884 -40.681 1.00 0.00 N ATOM 0 H LYS A 42 20.835 1.685 -37.930 1.00 0.00 H new ATOM 0 HA LYS A 42 21.795 1.666 -40.602 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.592 0.728 -39.299 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.911 2.170 -40.025 1.00 0.00 H new ATOM 0 HG2 LYS A 42 18.952 1.296 -42.118 1.00 0.00 H new ATOM 0 HG3 LYS A 42 20.541 0.588 -41.904 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.021 -1.242 -42.165 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.465 -1.210 -40.470 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.370 0.025 -39.939 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.926 0.005 -41.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.827 -1.762 -40.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.890 -2.421 -41.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.320 -2.403 -39.927 1.00 0.00 H new ATOM 685 N GLU A 43 20.519 4.463 -39.461 1.00 0.00 N ATOM 686 CA GLU A 43 20.354 5.883 -39.747 1.00 0.00 C ATOM 687 C GLU A 43 21.686 6.518 -40.134 1.00 0.00 C ATOM 688 O GLU A 43 21.770 7.264 -41.110 1.00 0.00 O ATOM 689 CB GLU A 43 19.766 6.605 -38.533 1.00 0.00 C ATOM 690 CG GLU A 43 19.024 7.883 -38.886 1.00 0.00 C ATOM 691 CD GLU A 43 17.771 8.079 -38.054 1.00 0.00 C ATOM 692 OE1 GLU A 43 16.772 7.377 -38.312 1.00 0.00 O ATOM 693 OE2 GLU A 43 17.791 8.935 -37.145 1.00 0.00 O ATOM 0 H GLU A 43 20.297 4.197 -38.502 1.00 0.00 H new ATOM 0 HA GLU A 43 19.667 5.981 -40.587 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.085 5.931 -38.015 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.571 6.842 -37.837 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.688 8.736 -38.743 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.755 7.863 -39.942 1.00 0.00 H new ATOM 700 N ILE A 44 22.725 6.217 -39.362 1.00 0.00 N ATOM 701 CA ILE A 44 24.053 6.758 -39.624 1.00 0.00 C ATOM 702 C ILE A 44 24.653 6.154 -40.890 1.00 0.00 C ATOM 703 O ILE A 44 25.212 6.866 -41.724 1.00 0.00 O ATOM 704 CB ILE A 44 25.009 6.501 -38.444 1.00 0.00 C ATOM 705 CG1 ILE A 44 24.454 7.130 -37.164 1.00 0.00 C ATOM 706 CG2 ILE A 44 26.393 7.051 -38.754 1.00 0.00 C ATOM 707 CD1 ILE A 44 24.172 8.611 -37.291 1.00 0.00 C ATOM 0 H ILE A 44 22.673 5.602 -38.550 1.00 0.00 H new ATOM 0 HA ILE A 44 23.934 7.833 -39.758 1.00 0.00 H new ATOM 0 HB ILE A 44 25.093 5.425 -38.291 1.00 0.00 H new ATOM 0 HG12 ILE A 44 23.534 6.616 -36.886 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.165 6.972 -36.353 1.00 0.00 H new ATOM 0 HG21 ILE A 44 27.057 6.862 -37.911 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.788 6.561 -39.644 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.327 8.125 -38.930 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.781 8.989 -36.346 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.094 9.137 -37.539 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.437 8.775 -38.079 1.00 0.00 H new ATOM 719 N ASP A 45 24.530 4.839 -41.026 1.00 0.00 N ATOM 720 CA ASP A 45 25.057 4.138 -42.191 1.00 0.00 C ATOM 721 C ASP A 45 24.369 4.612 -43.467 1.00 0.00 C ATOM 722 O ASP A 45 25.019 4.835 -44.489 1.00 0.00 O ATOM 723 CB ASP A 45 24.876 2.628 -42.030 1.00 0.00 C ATOM 724 CG ASP A 45 26.015 1.987 -41.261 1.00 0.00 C ATOM 725 OD1 ASP A 45 27.165 2.453 -41.407 1.00 0.00 O ATOM 726 OD2 ASP A 45 25.757 1.020 -40.515 1.00 0.00 O ATOM 0 H ASP A 45 24.070 4.236 -40.344 1.00 0.00 H new ATOM 0 HA ASP A 45 26.121 4.362 -42.268 1.00 0.00 H new ATOM 0 HB2 ASP A 45 23.937 2.431 -41.514 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.802 2.167 -43.015 1.00 0.00 H new ATOM 731 N SER A 46 23.050 4.763 -43.401 1.00 0.00 N ATOM 732 CA SER A 46 22.273 5.206 -44.553 1.00 0.00 C ATOM 733 C SER A 46 22.608 6.650 -44.912 1.00 0.00 C ATOM 734 O SER A 46 22.832 6.976 -46.078 1.00 0.00 O ATOM 735 CB SER A 46 20.776 5.075 -44.265 1.00 0.00 C ATOM 736 OG SER A 46 20.004 5.507 -45.372 1.00 0.00 O ATOM 0 H SER A 46 22.497 4.585 -42.562 1.00 0.00 H new ATOM 0 HA SER A 46 22.531 4.570 -45.400 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.536 4.037 -44.033 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.519 5.665 -43.386 1.00 0.00 H new ATOM 0 HG SER A 46 19.051 5.412 -45.163 1.00 0.00 H new ATOM 742 N TYR A 47 22.641 7.512 -43.901 1.00 0.00 N ATOM 743 CA TYR A 47 22.947 8.923 -44.109 1.00 0.00 C ATOM 744 C TYR A 47 24.368 9.100 -44.634 1.00 0.00 C ATOM 745 O TYR A 47 24.635 9.980 -45.453 1.00 0.00 O ATOM 746 CB TYR A 47 22.771 9.702 -42.805 1.00 0.00 C ATOM 747 CG TYR A 47 21.392 10.298 -42.636 1.00 0.00 C ATOM 748 CD1 TYR A 47 20.842 11.113 -43.618 1.00 0.00 C ATOM 749 CD2 TYR A 47 20.639 10.047 -41.496 1.00 0.00 C ATOM 750 CE1 TYR A 47 19.582 11.661 -43.468 1.00 0.00 C ATOM 751 CE2 TYR A 47 19.378 10.588 -41.338 1.00 0.00 C ATOM 752 CZ TYR A 47 18.854 11.395 -42.327 1.00 0.00 C ATOM 753 OH TYR A 47 17.599 11.938 -42.173 1.00 0.00 O ATOM 0 H TYR A 47 22.460 7.258 -42.930 1.00 0.00 H new ATOM 0 HA TYR A 47 22.253 9.314 -44.853 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.976 9.038 -41.965 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.510 10.502 -42.767 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.409 11.322 -44.513 1.00 0.00 H new ATOM 0 HD2 TYR A 47 21.047 9.417 -40.719 1.00 0.00 H new ATOM 0 HE1 TYR A 47 19.170 12.294 -44.240 1.00 0.00 H new ATOM 0 HE2 TYR A 47 18.806 10.381 -40.446 1.00 0.00 H new ATOM 0 HH TYR A 47 17.222 11.652 -41.315 1.00 0.00 H new ATOM 763 N LYS A 48 25.278 8.258 -44.156 1.00 0.00 N ATOM 764 CA LYS A 48 26.673 8.318 -44.576 1.00 0.00 C ATOM 765 C LYS A 48 26.825 7.866 -46.024 1.00 0.00 C ATOM 766 O LYS A 48 27.536 8.493 -46.809 1.00 0.00 O ATOM 767 CB LYS A 48 27.539 7.447 -43.664 1.00 0.00 C ATOM 768 CG LYS A 48 28.974 7.307 -44.141 1.00 0.00 C ATOM 769 CD LYS A 48 29.169 6.041 -44.959 1.00 0.00 C ATOM 770 CE LYS A 48 30.560 5.458 -44.762 1.00 0.00 C ATOM 771 NZ LYS A 48 30.509 4.061 -44.249 1.00 0.00 N ATOM 0 H LYS A 48 25.074 7.525 -43.477 1.00 0.00 H new ATOM 0 HA LYS A 48 27.005 9.353 -44.501 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.538 7.873 -42.661 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.091 6.456 -43.590 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.245 8.175 -44.742 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.644 7.293 -43.282 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.420 5.303 -44.672 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.012 6.261 -46.015 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.099 5.477 -45.709 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.119 6.081 -44.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 31.477 3.700 -44.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.017 4.045 -43.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 29.998 3.461 -44.927 1.00 0.00 H new ATOM 785 N ILE A 49 26.151 6.774 -46.372 1.00 0.00 N ATOM 786 CA ILE A 49 26.210 6.240 -47.727 1.00 0.00 C ATOM 787 C ILE A 49 25.479 7.150 -48.709 1.00 0.00 C ATOM 788 O ILE A 49 25.959 7.399 -49.814 1.00 0.00 O ATOM 789 CB ILE A 49 25.602 4.827 -47.802 1.00 0.00 C ATOM 790 CG1 ILE A 49 26.357 3.873 -46.874 1.00 0.00 C ATOM 791 CG2 ILE A 49 25.630 4.314 -49.234 1.00 0.00 C ATOM 792 CD1 ILE A 49 25.520 2.709 -46.394 1.00 0.00 C ATOM 0 H ILE A 49 25.558 6.243 -45.734 1.00 0.00 H new ATOM 0 HA ILE A 49 27.264 6.188 -48.000 1.00 0.00 H new ATOM 0 HB ILE A 49 24.564 4.876 -47.474 1.00 0.00 H new ATOM 0 HG12 ILE A 49 27.233 3.489 -47.396 1.00 0.00 H new ATOM 0 HG13 ILE A 49 26.719 4.430 -46.010 1.00 0.00 H new ATOM 0 HG21 ILE A 49 25.197 3.314 -49.271 1.00 0.00 H new ATOM 0 HG22 ILE A 49 25.053 4.983 -49.872 1.00 0.00 H new ATOM 0 HG23 ILE A 49 26.661 4.276 -49.587 1.00 0.00 H new ATOM 0 HD11 ILE A 49 26.119 2.075 -45.741 1.00 0.00 H new ATOM 0 HD12 ILE A 49 24.657 3.084 -45.844 1.00 0.00 H new ATOM 0 HD13 ILE A 49 25.179 2.128 -47.251 1.00 0.00 H new ATOM 804 N GLN A 50 24.315 7.642 -48.296 1.00 0.00 N ATOM 805 CA GLN A 50 23.518 8.525 -49.139 1.00 0.00 C ATOM 806 C GLN A 50 24.242 9.845 -49.383 1.00 0.00 C ATOM 807 O GLN A 50 24.286 10.343 -50.508 1.00 0.00 O ATOM 808 CB GLN A 50 22.156 8.789 -48.493 1.00 0.00 C ATOM 809 CG GLN A 50 21.122 7.717 -48.797 1.00 0.00 C ATOM 810 CD GLN A 50 20.432 7.932 -50.129 1.00 0.00 C ATOM 811 OE1 GLN A 50 20.037 9.050 -50.464 1.00 0.00 O ATOM 812 NE2 GLN A 50 20.283 6.861 -50.899 1.00 0.00 N ATOM 0 H GLN A 50 23.904 7.444 -47.384 1.00 0.00 H new ATOM 0 HA GLN A 50 23.368 8.031 -50.099 1.00 0.00 H new ATOM 0 HB2 GLN A 50 22.283 8.864 -47.413 1.00 0.00 H new ATOM 0 HB3 GLN A 50 21.780 9.753 -48.837 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.606 6.740 -48.797 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.375 7.703 -48.003 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.625 5.954 -50.582 1.00 0.00 H new ATOM 0 HE22 GLN A 50 19.826 6.945 -51.807 1.00 0.00 H new ATOM 821 N LYS A 51 24.809 10.408 -48.321 1.00 0.00 N ATOM 822 CA LYS A 51 25.533 11.670 -48.419 1.00 0.00 C ATOM 823 C LYS A 51 26.826 11.496 -49.209 1.00 0.00 C ATOM 824 O LYS A 51 27.122 12.278 -50.113 1.00 0.00 O ATOM 825 CB LYS A 51 25.845 12.213 -47.023 1.00 0.00 C ATOM 826 CG LYS A 51 26.547 13.559 -47.036 1.00 0.00 C ATOM 827 CD LYS A 51 27.612 13.643 -45.955 1.00 0.00 C ATOM 828 CE LYS A 51 27.364 14.814 -45.017 1.00 0.00 C ATOM 829 NZ LYS A 51 27.777 16.109 -45.626 1.00 0.00 N ATOM 0 H LYS A 51 24.781 10.010 -47.382 1.00 0.00 H new ATOM 0 HA LYS A 51 24.899 12.383 -48.946 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.915 12.303 -46.461 1.00 0.00 H new ATOM 0 HB3 LYS A 51 26.469 11.493 -46.493 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.004 13.723 -48.012 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.815 14.353 -46.890 1.00 0.00 H new ATOM 0 HD2 LYS A 51 27.626 12.715 -45.384 1.00 0.00 H new ATOM 0 HD3 LYS A 51 28.594 13.748 -46.417 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.306 14.855 -44.759 1.00 0.00 H new ATOM 0 HE3 LYS A 51 27.913 14.658 -44.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.592 16.882 -44.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 28.792 16.080 -45.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 27.235 16.270 -46.499 1.00 0.00 H new ATOM 843 N ASP A 52 27.591 10.467 -48.863 1.00 0.00 N ATOM 844 CA ASP A 52 28.851 10.189 -49.542 1.00 0.00 C ATOM 845 C ASP A 52 28.622 9.923 -51.027 1.00 0.00 C ATOM 846 O ASP A 52 29.366 10.410 -51.878 1.00 0.00 O ATOM 847 CB ASP A 52 29.549 8.990 -48.898 1.00 0.00 C ATOM 848 CG ASP A 52 30.990 8.850 -49.345 1.00 0.00 C ATOM 849 OD1 ASP A 52 31.407 9.604 -50.248 1.00 0.00 O ATOM 850 OD2 ASP A 52 31.702 7.984 -48.793 1.00 0.00 O ATOM 0 H ASP A 52 27.361 9.811 -48.116 1.00 0.00 H new ATOM 0 HA ASP A 52 29.489 11.067 -49.443 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.517 9.094 -47.813 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.004 8.079 -49.147 1.00 0.00 H new ATOM 855 N LYS A 53 27.588 9.146 -51.330 1.00 0.00 N ATOM 856 CA LYS A 53 27.259 8.814 -52.712 1.00 0.00 C ATOM 857 C LYS A 53 26.745 10.041 -53.458 1.00 0.00 C ATOM 858 O LYS A 53 27.096 10.266 -54.616 1.00 0.00 O ATOM 859 CB LYS A 53 26.210 7.701 -52.754 1.00 0.00 C ATOM 860 CG LYS A 53 26.100 7.020 -54.108 1.00 0.00 C ATOM 861 CD LYS A 53 25.825 5.533 -53.963 1.00 0.00 C ATOM 862 CE LYS A 53 24.582 5.119 -54.735 1.00 0.00 C ATOM 863 NZ LYS A 53 24.084 3.782 -54.310 1.00 0.00 N ATOM 0 H LYS A 53 26.963 8.734 -50.637 1.00 0.00 H new ATOM 0 HA LYS A 53 28.168 8.467 -53.203 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.455 6.954 -51.999 1.00 0.00 H new ATOM 0 HB3 LYS A 53 25.239 8.118 -52.486 1.00 0.00 H new ATOM 0 HG2 LYS A 53 25.301 7.484 -54.686 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.024 7.167 -54.667 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.684 4.966 -54.323 1.00 0.00 H new ATOM 0 HD3 LYS A 53 25.699 5.286 -52.909 1.00 0.00 H new ATOM 0 HE2 LYS A 53 23.798 5.862 -54.587 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.806 5.101 -55.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 23.236 3.537 -54.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.822 3.068 -54.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 23.845 3.806 -53.298 1.00 0.00 H new ATOM 877 N GLU A 54 25.913 10.831 -52.787 1.00 0.00 N ATOM 878 CA GLU A 54 25.352 12.035 -53.389 1.00 0.00 C ATOM 879 C GLU A 54 26.450 13.043 -53.714 1.00 0.00 C ATOM 880 O GLU A 54 26.451 13.654 -54.784 1.00 0.00 O ATOM 881 CB GLU A 54 24.324 12.670 -52.449 1.00 0.00 C ATOM 882 CG GLU A 54 23.714 13.952 -52.991 1.00 0.00 C ATOM 883 CD GLU A 54 22.728 14.582 -52.027 1.00 0.00 C ATOM 884 OE1 GLU A 54 21.548 14.173 -52.035 1.00 0.00 O ATOM 885 OE2 GLU A 54 23.135 15.483 -51.265 1.00 0.00 O ATOM 0 H GLU A 54 25.613 10.659 -51.827 1.00 0.00 H new ATOM 0 HA GLU A 54 24.858 11.750 -54.318 1.00 0.00 H new ATOM 0 HB2 GLU A 54 23.527 11.951 -52.257 1.00 0.00 H new ATOM 0 HB3 GLU A 54 24.801 12.881 -51.492 1.00 0.00 H new ATOM 0 HG2 GLU A 54 24.509 14.665 -53.209 1.00 0.00 H new ATOM 0 HG3 GLU A 54 23.210 13.740 -53.934 1.00 0.00 H new ATOM 892 N LEU A 55 27.383 13.213 -52.784 1.00 0.00 N ATOM 893 CA LEU A 55 28.488 14.147 -52.971 1.00 0.00 C ATOM 894 C LEU A 55 29.462 13.635 -54.027 1.00 0.00 C ATOM 895 O LEU A 55 29.934 14.396 -54.872 1.00 0.00 O ATOM 896 CB LEU A 55 29.223 14.369 -51.648 1.00 0.00 C ATOM 897 CG LEU A 55 28.972 15.709 -50.956 1.00 0.00 C ATOM 898 CD1 LEU A 55 29.558 16.850 -51.774 1.00 0.00 C ATOM 899 CD2 LEU A 55 27.482 15.922 -50.732 1.00 0.00 C ATOM 0 H LEU A 55 27.397 12.717 -51.893 1.00 0.00 H new ATOM 0 HA LEU A 55 28.075 15.096 -53.314 1.00 0.00 H new ATOM 0 HB2 LEU A 55 28.942 13.570 -50.961 1.00 0.00 H new ATOM 0 HB3 LEU A 55 30.293 14.272 -51.830 1.00 0.00 H new ATOM 0 HG LEU A 55 29.467 15.693 -49.985 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.370 17.796 -51.266 1.00 0.00 H new ATOM 0 HD12 LEU A 55 30.633 16.705 -51.884 1.00 0.00 H new ATOM 0 HD13 LEU A 55 29.092 16.868 -52.759 1.00 0.00 H new ATOM 0 HD21 LEU A 55 27.322 16.881 -50.238 1.00 0.00 H new ATOM 0 HD22 LEU A 55 26.965 15.917 -51.692 1.00 0.00 H new ATOM 0 HD23 LEU A 55 27.090 15.121 -50.105 1.00 0.00 H new ATOM 911 N LYS A 56 29.757 12.341 -53.975 1.00 0.00 N ATOM 912 CA LYS A 56 30.671 11.725 -54.929 1.00 0.00 C ATOM 913 C LYS A 56 30.079 11.734 -56.334 1.00 0.00 C ATOM 914 O LYS A 56 30.800 11.881 -57.320 1.00 0.00 O ATOM 915 CB LYS A 56 30.990 10.289 -54.507 1.00 0.00 C ATOM 916 CG LYS A 56 32.142 10.185 -53.523 1.00 0.00 C ATOM 917 CD LYS A 56 33.327 9.450 -54.127 1.00 0.00 C ATOM 918 CE LYS A 56 34.130 10.352 -55.051 1.00 0.00 C ATOM 919 NZ LYS A 56 33.596 10.338 -56.441 1.00 0.00 N ATOM 0 H LYS A 56 29.376 11.698 -53.281 1.00 0.00 H new ATOM 0 HA LYS A 56 31.592 12.307 -54.939 1.00 0.00 H new ATOM 0 HB2 LYS A 56 30.101 9.845 -54.060 1.00 0.00 H new ATOM 0 HB3 LYS A 56 31.228 9.703 -55.395 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.451 11.184 -53.216 1.00 0.00 H new ATOM 0 HG3 LYS A 56 31.809 9.664 -52.625 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.971 9.078 -53.330 1.00 0.00 H new ATOM 0 HD3 LYS A 56 32.973 8.581 -54.682 1.00 0.00 H new ATOM 0 HE2 LYS A 56 34.115 11.372 -54.666 1.00 0.00 H new ATOM 0 HE3 LYS A 56 35.171 10.030 -55.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.299 10.749 -57.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.395 9.358 -56.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.720 10.897 -56.482 1.00 0.00 H new ATOM 933 N GLU A 57 28.761 11.576 -56.417 1.00 0.00 N ATOM 934 CA GLU A 57 28.073 11.567 -57.702 1.00 0.00 C ATOM 935 C GLU A 57 27.041 12.689 -57.775 1.00 0.00 C ATOM 936 O GLU A 57 25.845 12.460 -57.596 1.00 0.00 O ATOM 937 CB GLU A 57 27.391 10.216 -57.931 1.00 0.00 C ATOM 938 CG GLU A 57 28.331 9.030 -57.802 1.00 0.00 C ATOM 939 CD GLU A 57 27.921 7.863 -58.679 1.00 0.00 C ATOM 940 OE1 GLU A 57 26.928 7.186 -58.339 1.00 0.00 O ATOM 941 OE2 GLU A 57 28.593 7.626 -59.705 1.00 0.00 O ATOM 0 H GLU A 57 28.150 11.453 -55.610 1.00 0.00 H new ATOM 0 HA GLU A 57 28.815 11.728 -58.484 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.577 10.103 -57.215 1.00 0.00 H new ATOM 0 HB3 GLU A 57 26.944 10.208 -58.925 1.00 0.00 H new ATOM 0 HG2 GLU A 57 29.341 9.341 -58.067 1.00 0.00 H new ATOM 0 HG3 GLU A 57 28.360 8.705 -56.762 1.00 0.00 H new ATOM 948 N PHE A 58 27.514 13.903 -58.039 1.00 0.00 N ATOM 949 CA PHE A 58 26.634 15.061 -58.135 1.00 0.00 C ATOM 950 C PHE A 58 25.668 14.916 -59.307 1.00 0.00 C ATOM 951 O PHE A 58 24.563 15.457 -59.284 1.00 0.00 O ATOM 952 CB PHE A 58 27.457 16.342 -58.294 1.00 0.00 C ATOM 953 CG PHE A 58 26.981 17.471 -57.425 1.00 0.00 C ATOM 954 CD1 PHE A 58 27.314 17.517 -56.081 1.00 0.00 C ATOM 955 CD2 PHE A 58 26.203 18.488 -57.954 1.00 0.00 C ATOM 956 CE1 PHE A 58 26.877 18.555 -55.280 1.00 0.00 C ATOM 957 CE2 PHE A 58 25.763 19.529 -57.158 1.00 0.00 C ATOM 958 CZ PHE A 58 26.102 19.563 -55.819 1.00 0.00 C ATOM 0 H PHE A 58 28.501 14.110 -58.190 1.00 0.00 H new ATOM 0 HA PHE A 58 26.054 15.121 -57.214 1.00 0.00 H new ATOM 0 HB2 PHE A 58 28.499 16.127 -58.058 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.425 16.658 -59.337 1.00 0.00 H new ATOM 0 HD1 PHE A 58 27.922 16.733 -55.654 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.937 18.467 -59.001 1.00 0.00 H new ATOM 0 HE1 PHE A 58 27.141 18.578 -54.233 1.00 0.00 H new ATOM 0 HE2 PHE A 58 25.155 20.315 -57.582 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.762 20.376 -55.195 1.00 0.00 H new ATOM 968 N GLU A 59 26.094 14.181 -60.329 1.00 0.00 N ATOM 969 CA GLU A 59 25.267 13.966 -61.511 1.00 0.00 C ATOM 970 C GLU A 59 25.858 12.871 -62.396 1.00 0.00 C ATOM 971 O GLU A 59 26.105 13.085 -63.584 1.00 0.00 O ATOM 972 CB GLU A 59 25.131 15.264 -62.309 1.00 0.00 C ATOM 973 CG GLU A 59 26.455 15.968 -62.557 1.00 0.00 C ATOM 974 CD GLU A 59 26.699 16.250 -64.027 1.00 0.00 C ATOM 975 OE1 GLU A 59 26.517 15.327 -64.848 1.00 0.00 O ATOM 976 OE2 GLU A 59 27.071 17.396 -64.356 1.00 0.00 O ATOM 0 H GLU A 59 27.006 13.725 -60.363 1.00 0.00 H new ATOM 0 HA GLU A 59 24.279 13.648 -61.179 1.00 0.00 H new ATOM 0 HB2 GLU A 59 24.661 15.044 -63.268 1.00 0.00 H new ATOM 0 HB3 GLU A 59 24.464 15.941 -61.775 1.00 0.00 H new ATOM 0 HG2 GLU A 59 26.473 16.907 -62.003 1.00 0.00 H new ATOM 0 HG3 GLU A 59 27.267 15.353 -62.169 1.00 0.00 H new ATOM 983 N CYS A 60 26.082 11.701 -61.809 1.00 0.00 N ATOM 984 CA CYS A 60 26.645 10.573 -62.543 1.00 0.00 C ATOM 985 C CYS A 60 25.792 10.238 -63.762 1.00 0.00 C ATOM 986 O CYS A 60 24.573 10.404 -63.744 1.00 0.00 O ATOM 987 CB CYS A 60 26.756 9.350 -61.631 1.00 0.00 C ATOM 988 SG CYS A 60 25.175 8.777 -60.968 1.00 0.00 S ATOM 0 H CYS A 60 25.883 11.508 -60.827 1.00 0.00 H new ATOM 0 HA CYS A 60 27.641 10.854 -62.885 1.00 0.00 H new ATOM 0 HB2 CYS A 60 27.221 8.536 -62.188 1.00 0.00 H new ATOM 0 HB3 CYS A 60 27.421 9.589 -60.801 1.00 0.00 H new ATOM 0 HG CYS A 60 25.383 8.080 -59.891 1.00 0.00 H new TER 994 CYS A 60