USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 835 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 53 LYS NZ :NH3+ 156:sc= 1.23 (180deg=0.395) USER MOD Set 1.2: A 54 CYS SG : rot -159:sc= -0.269 USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0476) USER MOD Single : A 1 MET N :NH3+ -145:sc= 0.13 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.97! C(o=-2!,f=-1.9!) USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.867 USER MOD Single : A 12 LYS NZ :NH3+ -137:sc= 0.806 (180deg=0.433) USER MOD Single : A 13 ASN : amide:sc= 0.434 X(o=0.43,f=0) USER MOD Single : A 18 SER OG : rot -112:sc= 1.32 USER MOD Single : A 19 SER OG : rot 180:sc= 0.297 USER MOD Single : A 48 TYR OH : rot 0:sc= 1.13 USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0406) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 141:sc= 0.386 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0.531 K(o=0.53,f=-9.2!) USER MOD Single : A 59 THR OG1 : rot 86:sc= 0.997 USER MOD Single : A 62 SER OG : rot -61:sc= -0.137 USER MOD Single : A 64 ASN : amide:sc= 1.12 K(o=1.1,f=-0.87) USER MOD Single : A 67 SER OG : rot 67:sc= 1.19 USER MOD Single : A 69 TYR OH : rot -109:sc= 0.146 USER MOD Single : A 73 SER OG : rot 180:sc= 0.138 USER MOD Single : A 76 THR OG1 : rot 23:sc= 1.21 USER MOD Single : A 78 MET CE :methyl -157:sc= 0 (180deg=-0.439) USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= -0.02 (180deg=-0.0819) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0474) USER MOD Single : A 86 CYS SG : rot 36:sc= 0.105 USER MOD Single : A 88 THR OG1 : rot 44:sc= 0.708 USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= -0.0844 (180deg=-0.101) USER MOD Single : A 97 THR OG1 : rot 91:sc= 0.948 USER MOD Single : A 100 GLN : amide:sc= 0.924 K(o=0.92,f=0) USER MOD Single : A 101 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 0.266 (180deg=0.247) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.04 K(o=1,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.609 -1.459 -14.158 1.00 0.00 N ATOM 2 CA MET A 1 -6.288 -0.838 -13.980 1.00 0.00 C ATOM 3 C MET A 1 -5.467 -1.808 -13.133 1.00 0.00 C ATOM 4 O MET A 1 -5.625 -3.007 -13.348 1.00 0.00 O ATOM 5 CB MET A 1 -6.424 0.576 -13.390 1.00 0.00 C ATOM 6 CG MET A 1 -5.189 1.454 -13.665 1.00 0.00 C ATOM 7 SD MET A 1 -5.207 3.073 -12.854 1.00 0.00 S ATOM 8 CE MET A 1 -6.569 3.876 -13.728 1.00 0.00 C ATOM 0 H1 MET A 1 -7.977 -1.228 -15.103 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.523 -2.491 -14.062 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.263 -1.097 -13.435 1.00 0.00 H new ATOM 0 HA MET A 1 -5.769 -0.678 -14.925 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.308 1.057 -13.809 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.581 0.503 -12.314 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.299 0.913 -13.344 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.101 1.604 -14.741 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.637 4.918 -13.417 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.390 3.829 -14.802 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.503 3.366 -13.493 1.00 0.00 H new ATOM 20 N GLU A 2 -4.675 -1.329 -12.177 1.00 0.00 N ATOM 21 CA GLU A 2 -3.810 -2.118 -11.323 1.00 0.00 C ATOM 22 C GLU A 2 -3.392 -1.208 -10.171 1.00 0.00 C ATOM 23 O GLU A 2 -3.682 -0.011 -10.216 1.00 0.00 O ATOM 24 CB GLU A 2 -2.609 -2.626 -12.132 1.00 0.00 C ATOM 25 CG GLU A 2 -1.888 -1.510 -12.906 1.00 0.00 C ATOM 26 CD GLU A 2 -0.664 -2.055 -13.633 1.00 0.00 C ATOM 27 OE1 GLU A 2 -0.848 -2.513 -14.781 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.427 -2.010 -13.026 1.00 0.00 O ATOM 0 H GLU A 2 -4.621 -0.331 -11.972 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.312 -3.002 -10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.901 -3.108 -11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.948 -3.387 -12.835 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.573 -1.060 -13.625 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.585 -0.721 -12.217 1.00 0.00 H new ATOM 35 N ALA A 3 -2.754 -1.758 -9.140 1.00 0.00 N ATOM 36 CA ALA A 3 -2.331 -0.977 -7.992 1.00 0.00 C ATOM 37 C ALA A 3 -1.076 -0.187 -8.346 1.00 0.00 C ATOM 38 O ALA A 3 -0.261 -0.625 -9.157 1.00 0.00 O ATOM 39 CB ALA A 3 -2.099 -1.912 -6.811 1.00 0.00 C ATOM 0 H ALA A 3 -2.520 -2.749 -9.082 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.104 -0.261 -7.712 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.781 -1.332 -5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.024 -2.438 -6.576 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.325 -2.636 -7.067 1.00 0.00 H new ATOM 45 N GLY A 4 -0.918 0.987 -7.737 1.00 0.00 N ATOM 46 CA GLY A 4 0.204 1.860 -8.032 1.00 0.00 C ATOM 47 C GLY A 4 1.533 1.276 -7.550 1.00 0.00 C ATOM 48 O GLY A 4 1.763 1.175 -6.348 1.00 0.00 O ATOM 0 H GLY A 4 -1.560 1.352 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.254 2.034 -9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.042 2.829 -7.560 1.00 0.00 H new ATOM 52 N ALA A 5 2.425 0.886 -8.460 1.00 0.00 N ATOM 53 CA ALA A 5 3.763 0.473 -8.061 1.00 0.00 C ATOM 54 C ALA A 5 4.549 1.760 -7.826 1.00 0.00 C ATOM 55 O ALA A 5 4.725 2.539 -8.762 1.00 0.00 O ATOM 56 CB ALA A 5 4.416 -0.381 -9.144 1.00 0.00 C ATOM 0 H ALA A 5 2.246 0.849 -9.464 1.00 0.00 H new ATOM 0 HA ALA A 5 3.737 -0.142 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.414 -0.677 -8.822 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.812 -1.272 -9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.488 0.194 -10.067 1.00 0.00 H new ATOM 62 N VAL A 6 4.974 2.008 -6.586 1.00 0.00 N ATOM 63 CA VAL A 6 5.683 3.233 -6.224 1.00 0.00 C ATOM 64 C VAL A 6 7.106 2.934 -5.752 1.00 0.00 C ATOM 65 O VAL A 6 7.475 1.795 -5.450 1.00 0.00 O ATOM 66 CB VAL A 6 4.898 4.047 -5.173 1.00 0.00 C ATOM 67 CG1 VAL A 6 3.582 4.581 -5.738 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.606 3.268 -3.893 1.00 0.00 C ATOM 0 H VAL A 6 4.836 1.365 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 6 5.759 3.846 -7.122 1.00 0.00 H new ATOM 0 HB VAL A 6 5.555 4.878 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.059 5.148 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.788 5.230 -6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.959 3.747 -6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.052 3.901 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.012 2.385 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.545 2.960 -3.432 1.00 0.00 H new ATOM 78 N ASN A 7 7.895 4.006 -5.710 1.00 0.00 N ATOM 79 CA ASN A 7 9.282 4.066 -5.281 1.00 0.00 C ATOM 80 C ASN A 7 9.419 5.329 -4.446 1.00 0.00 C ATOM 81 O ASN A 7 8.513 6.152 -4.460 1.00 0.00 O ATOM 82 CB ASN A 7 10.203 4.152 -6.506 1.00 0.00 C ATOM 83 CG ASN A 7 11.659 4.442 -6.156 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.131 5.565 -6.304 1.00 0.00 O ATOM 85 ND2 ASN A 7 12.340 3.444 -5.602 1.00 0.00 N ATOM 0 H ASN A 7 7.551 4.922 -5.998 1.00 0.00 H new ATOM 0 HA ASN A 7 9.559 3.179 -4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.150 3.213 -7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.836 4.933 -7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.296 3.596 -5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.907 2.526 -5.499 1.00 0.00 H new ATOM 92 N ASP A 8 10.562 5.500 -3.788 1.00 0.00 N ATOM 93 CA ASP A 8 10.898 6.625 -2.921 1.00 0.00 C ATOM 94 C ASP A 8 10.370 7.942 -3.486 1.00 0.00 C ATOM 95 O ASP A 8 9.658 8.682 -2.813 1.00 0.00 O ATOM 96 CB ASP A 8 12.427 6.688 -2.792 1.00 0.00 C ATOM 97 CG ASP A 8 12.926 7.710 -1.773 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.085 8.349 -1.107 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.166 7.824 -1.665 1.00 0.00 O ATOM 0 H ASP A 8 11.320 4.820 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 8 10.433 6.478 -1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.798 5.702 -2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.854 6.925 -3.767 1.00 0.00 H new ATOM 104 N ASP A 9 10.714 8.206 -4.745 1.00 0.00 N ATOM 105 CA ASP A 9 10.282 9.402 -5.456 1.00 0.00 C ATOM 106 C ASP A 9 8.754 9.521 -5.482 1.00 0.00 C ATOM 107 O ASP A 9 8.167 10.350 -4.789 1.00 0.00 O ATOM 108 CB ASP A 9 10.840 9.361 -6.884 1.00 0.00 C ATOM 109 CG ASP A 9 10.303 10.523 -7.711 1.00 0.00 C ATOM 110 OD1 ASP A 9 10.682 11.669 -7.389 1.00 0.00 O ATOM 111 OD2 ASP A 9 9.514 10.240 -8.638 1.00 0.00 O ATOM 0 H ASP A 9 11.305 7.589 -5.303 1.00 0.00 H new ATOM 0 HA ASP A 9 10.665 10.278 -4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.929 9.403 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.570 8.417 -7.357 1.00 0.00 H new ATOM 116 N THR A 10 8.115 8.679 -6.296 1.00 0.00 N ATOM 117 CA THR A 10 6.678 8.692 -6.534 1.00 0.00 C ATOM 118 C THR A 10 5.886 8.654 -5.226 1.00 0.00 C ATOM 119 O THR A 10 4.872 9.339 -5.111 1.00 0.00 O ATOM 120 CB THR A 10 6.321 7.525 -7.468 1.00 0.00 C ATOM 121 OG1 THR A 10 6.893 6.313 -7.017 1.00 0.00 O ATOM 122 CG2 THR A 10 6.863 7.784 -8.878 1.00 0.00 C ATOM 0 H THR A 10 8.600 7.951 -6.820 1.00 0.00 H new ATOM 0 HA THR A 10 6.399 9.628 -7.019 1.00 0.00 H new ATOM 0 HB THR A 10 5.234 7.447 -7.475 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.929 5.673 -7.758 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.602 6.948 -9.527 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.426 8.701 -9.273 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.947 7.887 -8.838 1.00 0.00 H new ATOM 130 N PHE A 11 6.363 7.889 -4.241 1.00 0.00 N ATOM 131 CA PHE A 11 5.791 7.742 -2.907 1.00 0.00 C ATOM 132 C PHE A 11 5.352 9.087 -2.340 1.00 0.00 C ATOM 133 O PHE A 11 4.273 9.232 -1.774 1.00 0.00 O ATOM 134 CB PHE A 11 6.844 7.144 -1.970 1.00 0.00 C ATOM 135 CG PHE A 11 6.311 6.579 -0.676 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.981 5.216 -0.594 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.288 7.377 0.480 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.699 4.637 0.654 1.00 0.00 C ATOM 139 CE2 PHE A 11 5.930 6.815 1.717 1.00 0.00 C ATOM 140 CZ PHE A 11 5.645 5.441 1.806 1.00 0.00 C ATOM 0 H PHE A 11 7.205 7.326 -4.363 1.00 0.00 H new ATOM 0 HA PHE A 11 4.921 7.090 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.372 6.353 -2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.578 7.915 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.944 4.614 -1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.546 8.424 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.524 3.574 0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.874 7.437 2.598 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.385 5.004 2.759 1.00 0.00 H new ATOM 150 N LYS A 12 6.210 10.085 -2.489 1.00 0.00 N ATOM 151 CA LYS A 12 5.940 11.419 -1.979 1.00 0.00 C ATOM 152 C LYS A 12 4.611 11.954 -2.526 1.00 0.00 C ATOM 153 O LYS A 12 3.733 12.370 -1.774 1.00 0.00 O ATOM 154 CB LYS A 12 7.105 12.345 -2.338 1.00 0.00 C ATOM 155 CG LYS A 12 8.400 11.869 -1.665 1.00 0.00 C ATOM 156 CD LYS A 12 9.580 12.744 -2.106 1.00 0.00 C ATOM 157 CE LYS A 12 10.897 12.230 -1.515 1.00 0.00 C ATOM 158 NZ LYS A 12 11.315 10.959 -2.134 1.00 0.00 N ATOM 0 H LYS A 12 7.108 9.993 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 12 5.848 11.378 -0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.238 12.368 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.878 13.363 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.292 11.911 -0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.592 10.828 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.644 12.752 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.412 13.773 -1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.677 12.978 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.783 12.091 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.655 10.309 -1.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.506 10.530 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.080 11.140 -2.815 1.00 0.00 H new ATOM 172 N ASN A 13 4.444 11.913 -3.843 1.00 0.00 N ATOM 173 CA ASN A 13 3.263 12.438 -4.503 1.00 0.00 C ATOM 174 C ASN A 13 2.061 11.518 -4.321 1.00 0.00 C ATOM 175 O ASN A 13 0.976 11.953 -3.951 1.00 0.00 O ATOM 176 CB ASN A 13 3.573 12.603 -5.994 1.00 0.00 C ATOM 177 CG ASN A 13 4.711 13.582 -6.299 1.00 0.00 C ATOM 178 OD1 ASN A 13 5.366 13.452 -7.326 1.00 0.00 O ATOM 179 ND2 ASN A 13 4.978 14.565 -5.439 1.00 0.00 N ATOM 0 H ASN A 13 5.130 11.512 -4.483 1.00 0.00 H new ATOM 0 HA ASN A 13 3.008 13.399 -4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.827 11.628 -6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.672 12.942 -6.505 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.735 15.220 -5.632 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.425 14.662 -4.588 1.00 0.00 H new ATOM 186 N VAL A 14 2.263 10.238 -4.613 1.00 0.00 N ATOM 187 CA VAL A 14 1.225 9.227 -4.658 1.00 0.00 C ATOM 188 C VAL A 14 0.748 8.803 -3.266 1.00 0.00 C ATOM 189 O VAL A 14 -0.446 8.582 -3.071 1.00 0.00 O ATOM 190 CB VAL A 14 1.795 8.042 -5.466 1.00 0.00 C ATOM 191 CG1 VAL A 14 0.839 6.849 -5.523 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.107 8.466 -6.910 1.00 0.00 C ATOM 0 H VAL A 14 3.188 9.868 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 14 0.332 9.628 -5.138 1.00 0.00 H new ATOM 0 HB VAL A 14 2.704 7.739 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.293 6.046 -6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.637 6.496 -4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.096 7.154 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.508 7.615 -7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.193 8.813 -7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.842 9.271 -6.902 1.00 0.00 H new ATOM 202 N VAL A 15 1.666 8.669 -2.306 1.00 0.00 N ATOM 203 CA VAL A 15 1.383 8.092 -0.999 1.00 0.00 C ATOM 204 C VAL A 15 1.355 9.138 0.116 1.00 0.00 C ATOM 205 O VAL A 15 0.371 9.200 0.848 1.00 0.00 O ATOM 206 CB VAL A 15 2.419 6.998 -0.696 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.979 6.204 0.528 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.583 6.030 -1.869 1.00 0.00 C ATOM 0 H VAL A 15 2.636 8.963 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 15 0.383 7.659 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 15 3.374 7.491 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.714 5.428 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.897 6.872 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.011 5.742 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.324 5.272 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.628 5.548 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.914 6.579 -2.750 1.00 0.00 H new ATOM 218 N LEU A 16 2.413 9.940 0.287 1.00 0.00 N ATOM 219 CA LEU A 16 2.433 10.928 1.354 1.00 0.00 C ATOM 220 C LEU A 16 1.341 11.939 1.075 1.00 0.00 C ATOM 221 O LEU A 16 0.355 11.959 1.798 1.00 0.00 O ATOM 222 CB LEU A 16 3.790 11.628 1.469 1.00 0.00 C ATOM 223 CG LEU A 16 4.930 10.711 1.925 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.204 11.541 2.085 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.627 10.004 3.248 1.00 0.00 C ATOM 0 H LEU A 16 3.251 9.920 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 16 2.262 10.425 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.048 12.057 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.701 12.456 2.172 1.00 0.00 H new ATOM 0 HG LEU A 16 5.053 9.941 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.020 10.896 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.462 12.000 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.040 12.320 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.469 9.368 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.464 10.747 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.732 9.392 3.137 1.00 0.00 H new ATOM 237 N GLU A 17 1.474 12.683 -0.027 1.00 0.00 N ATOM 238 CA GLU A 17 0.574 13.753 -0.444 1.00 0.00 C ATOM 239 C GLU A 17 -0.702 13.167 -1.073 1.00 0.00 C ATOM 240 O GLU A 17 -1.141 13.585 -2.142 1.00 0.00 O ATOM 241 CB GLU A 17 1.316 14.627 -1.469 1.00 0.00 C ATOM 242 CG GLU A 17 2.600 15.274 -0.927 1.00 0.00 C ATOM 243 CD GLU A 17 3.353 16.010 -2.035 1.00 0.00 C ATOM 244 OE1 GLU A 17 3.996 15.316 -2.857 1.00 0.00 O ATOM 245 OE2 GLU A 17 3.267 17.256 -2.048 1.00 0.00 O ATOM 0 H GLU A 17 2.247 12.547 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 17 0.279 14.350 0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.567 14.017 -2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.644 15.412 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.350 15.971 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.242 14.508 -0.493 1.00 0.00 H new ATOM 252 N SER A 18 -1.320 12.212 -0.380 1.00 0.00 N ATOM 253 CA SER A 18 -2.497 11.489 -0.809 1.00 0.00 C ATOM 254 C SER A 18 -3.776 12.264 -0.486 1.00 0.00 C ATOM 255 O SER A 18 -4.044 12.587 0.672 1.00 0.00 O ATOM 256 CB SER A 18 -2.482 10.129 -0.104 1.00 0.00 C ATOM 257 OG SER A 18 -2.080 10.266 1.249 1.00 0.00 O ATOM 0 H SER A 18 -0.991 11.914 0.538 1.00 0.00 H new ATOM 0 HA SER A 18 -2.483 11.356 -1.891 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.474 9.680 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.802 9.453 -0.623 1.00 0.00 H new ATOM 0 HG SER A 18 -1.207 9.838 1.376 1.00 0.00 H new ATOM 263 N SER A 19 -4.572 12.560 -1.515 1.00 0.00 N ATOM 264 CA SER A 19 -5.874 13.192 -1.395 1.00 0.00 C ATOM 265 C SER A 19 -6.866 12.101 -0.994 1.00 0.00 C ATOM 266 O SER A 19 -7.441 12.120 0.092 1.00 0.00 O ATOM 267 CB SER A 19 -6.217 13.793 -2.761 1.00 0.00 C ATOM 268 OG SER A 19 -5.874 12.854 -3.772 1.00 0.00 O ATOM 0 H SER A 19 -4.315 12.358 -2.481 1.00 0.00 H new ATOM 0 HA SER A 19 -5.899 13.985 -0.648 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.279 14.032 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.673 14.725 -2.911 1.00 0.00 H new ATOM 0 HG SER A 19 -6.091 13.227 -4.652 1.00 0.00 H new ATOM 274 N VAL A 20 -7.001 11.116 -1.883 1.00 0.00 N ATOM 275 CA VAL A 20 -7.807 9.922 -1.671 1.00 0.00 C ATOM 276 C VAL A 20 -6.994 9.007 -0.767 1.00 0.00 C ATOM 277 O VAL A 20 -5.769 9.124 -0.728 1.00 0.00 O ATOM 278 CB VAL A 20 -8.139 9.242 -3.010 1.00 0.00 C ATOM 279 CG1 VAL A 20 -8.989 10.202 -3.849 1.00 0.00 C ATOM 280 CG2 VAL A 20 -6.903 8.806 -3.810 1.00 0.00 C ATOM 0 H VAL A 20 -6.539 11.131 -2.792 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.763 10.167 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.683 8.326 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.233 9.734 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.909 10.436 -3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.430 11.121 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.219 8.335 -4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.289 9.678 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.322 8.095 -3.223 1.00 0.00 H new ATOM 290 N PRO A 21 -7.642 8.128 0.003 1.00 0.00 N ATOM 291 CA PRO A 21 -6.914 7.234 0.877 1.00 0.00 C ATOM 292 C PRO A 21 -6.169 6.209 0.046 1.00 0.00 C ATOM 293 O PRO A 21 -6.657 5.816 -1.013 1.00 0.00 O ATOM 294 CB PRO A 21 -7.932 6.532 1.771 1.00 0.00 C ATOM 295 CG PRO A 21 -9.266 7.151 1.373 1.00 0.00 C ATOM 296 CD PRO A 21 -9.054 7.813 0.008 1.00 0.00 C ATOM 0 HA PRO A 21 -6.192 7.785 1.480 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.929 5.454 1.609 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.716 6.696 2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.044 6.390 1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.589 7.884 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.319 7.142 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.666 8.708 -0.104 1.00 0.00 H new ATOM 304 N VAL A 22 -5.032 5.748 0.567 1.00 0.00 N ATOM 305 CA VAL A 22 -4.180 4.779 -0.112 1.00 0.00 C ATOM 306 C VAL A 22 -3.389 3.859 0.810 1.00 0.00 C ATOM 307 O VAL A 22 -2.680 4.332 1.695 1.00 0.00 O ATOM 308 CB VAL A 22 -3.277 5.451 -1.164 1.00 0.00 C ATOM 309 CG1 VAL A 22 -3.902 5.264 -2.551 1.00 0.00 C ATOM 310 CG2 VAL A 22 -3.025 6.939 -0.910 1.00 0.00 C ATOM 0 H VAL A 22 -4.676 6.040 1.477 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.874 4.117 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.304 4.965 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.269 5.737 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.991 4.200 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.891 5.722 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.381 7.338 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.974 7.474 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.540 7.066 0.058 1.00 0.00 H new ATOM 320 N LEU A 23 -3.513 2.542 0.578 1.00 0.00 N ATOM 321 CA LEU A 23 -2.792 1.495 1.276 1.00 0.00 C ATOM 322 C LEU A 23 -1.505 1.306 0.502 1.00 0.00 C ATOM 323 O LEU A 23 -1.576 1.026 -0.697 1.00 0.00 O ATOM 324 CB LEU A 23 -3.606 0.187 1.236 1.00 0.00 C ATOM 325 CG LEU A 23 -3.173 -0.987 2.133 1.00 0.00 C ATOM 326 CD1 LEU A 23 -3.983 -2.218 1.707 1.00 0.00 C ATOM 327 CD2 LEU A 23 -1.684 -1.338 2.075 1.00 0.00 C ATOM 0 H LEU A 23 -4.147 2.175 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.613 1.753 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.637 0.433 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.608 -0.169 0.206 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.360 -0.679 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.700 -3.071 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.047 -2.015 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.778 -2.444 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.482 -2.177 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.414 -1.612 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.095 -0.476 2.387 1.00 0.00 H new ATOM 339 N VAL A 24 -0.355 1.487 1.152 1.00 0.00 N ATOM 340 CA VAL A 24 0.908 1.148 0.546 1.00 0.00 C ATOM 341 C VAL A 24 1.430 -0.019 1.378 1.00 0.00 C ATOM 342 O VAL A 24 1.649 0.092 2.589 1.00 0.00 O ATOM 343 CB VAL A 24 1.865 2.357 0.485 1.00 0.00 C ATOM 344 CG1 VAL A 24 2.890 2.406 1.621 1.00 0.00 C ATOM 345 CG2 VAL A 24 2.663 2.317 -0.822 1.00 0.00 C ATOM 0 H VAL A 24 -0.285 1.867 2.096 1.00 0.00 H new ATOM 0 HA VAL A 24 0.811 0.861 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 24 1.222 3.234 0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.522 3.286 1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.370 2.459 2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.508 1.509 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.338 3.172 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.242 1.395 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.977 2.356 -1.668 1.00 0.00 H new ATOM 355 N ASP A 25 1.535 -1.178 0.740 1.00 0.00 N ATOM 356 CA ASP A 25 2.204 -2.306 1.349 1.00 0.00 C ATOM 357 C ASP A 25 3.597 -2.254 0.697 1.00 0.00 C ATOM 358 O ASP A 25 3.735 -1.972 -0.494 1.00 0.00 O ATOM 359 CB ASP A 25 1.470 -3.624 1.112 1.00 0.00 C ATOM 360 CG ASP A 25 2.410 -4.820 1.258 1.00 0.00 C ATOM 361 OD1 ASP A 25 3.080 -4.893 2.313 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.455 -5.634 0.311 1.00 0.00 O ATOM 0 H ASP A 25 1.165 -1.355 -0.194 1.00 0.00 H new ATOM 0 HA ASP A 25 2.245 -2.252 2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.648 -3.717 1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.032 -3.624 0.114 1.00 0.00 H new ATOM 367 N PHE A 26 4.647 -2.448 1.475 1.00 0.00 N ATOM 368 CA PHE A 26 6.026 -2.403 1.053 1.00 0.00 C ATOM 369 C PHE A 26 6.314 -3.827 0.594 1.00 0.00 C ATOM 370 O PHE A 26 6.268 -4.743 1.412 1.00 0.00 O ATOM 371 CB PHE A 26 6.897 -1.930 2.227 1.00 0.00 C ATOM 372 CG PHE A 26 6.725 -0.467 2.642 1.00 0.00 C ATOM 373 CD1 PHE A 26 5.481 0.033 3.083 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.853 0.370 2.732 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.383 1.292 3.690 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.740 1.664 3.271 1.00 0.00 C ATOM 377 CZ PHE A 26 6.513 2.115 3.787 1.00 0.00 C ATOM 0 H PHE A 26 4.550 -2.652 2.470 1.00 0.00 H new ATOM 0 HA PHE A 26 6.239 -1.701 0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.682 -2.560 3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.943 -2.093 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.591 -0.564 2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.812 0.016 2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.435 1.629 4.084 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.601 2.315 3.289 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.442 3.086 4.254 1.00 0.00 H new ATOM 387 N TRP A 27 6.523 -4.011 -0.711 1.00 0.00 N ATOM 388 CA TRP A 27 6.687 -5.315 -1.338 1.00 0.00 C ATOM 389 C TRP A 27 8.067 -5.433 -1.964 1.00 0.00 C ATOM 390 O TRP A 27 8.901 -4.534 -1.878 1.00 0.00 O ATOM 391 CB TRP A 27 5.624 -5.495 -2.438 1.00 0.00 C ATOM 392 CG TRP A 27 5.835 -4.670 -3.667 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.665 -3.338 -3.721 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.352 -5.059 -4.977 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.042 -2.853 -4.953 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.508 -3.874 -5.756 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.732 -6.278 -5.588 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.043 -3.897 -7.050 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.248 -6.308 -6.895 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.411 -5.122 -7.625 1.00 0.00 C ATOM 0 H TRP A 27 6.584 -3.237 -1.373 1.00 0.00 H new ATOM 0 HA TRP A 27 6.572 -6.084 -0.575 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.596 -6.546 -2.726 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.647 -5.253 -2.020 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.286 -2.733 -2.911 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.985 -1.874 -5.234 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.623 -7.202 -5.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.171 -2.977 -7.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.521 -7.253 -7.341 1.00 0.00 H new ATOM 0 HH2 TRP A 27 7.818 -5.152 -8.625 1.00 0.00 H new ATOM 411 N ALA A 28 8.286 -6.541 -2.661 1.00 0.00 N ATOM 412 CA ALA A 28 9.451 -6.791 -3.485 1.00 0.00 C ATOM 413 C ALA A 28 9.123 -8.047 -4.287 1.00 0.00 C ATOM 414 O ALA A 28 8.331 -8.861 -3.814 1.00 0.00 O ATOM 415 CB ALA A 28 10.706 -7.012 -2.637 1.00 0.00 C ATOM 0 H ALA A 28 7.626 -7.319 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 28 9.665 -5.937 -4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.559 -7.196 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.897 -6.126 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.557 -7.872 -1.984 1.00 0.00 H new ATOM 421 N PRO A 29 9.693 -8.241 -5.480 1.00 0.00 N ATOM 422 CA PRO A 29 9.406 -9.406 -6.294 1.00 0.00 C ATOM 423 C PRO A 29 9.701 -10.694 -5.528 1.00 0.00 C ATOM 424 O PRO A 29 8.942 -11.654 -5.604 1.00 0.00 O ATOM 425 CB PRO A 29 10.264 -9.266 -7.552 1.00 0.00 C ATOM 426 CG PRO A 29 10.670 -7.792 -7.591 1.00 0.00 C ATOM 427 CD PRO A 29 10.630 -7.354 -6.128 1.00 0.00 C ATOM 0 HA PRO A 29 8.351 -9.463 -6.560 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.138 -9.915 -7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.704 -9.545 -8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.665 -7.664 -8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.983 -7.206 -8.201 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.617 -7.425 -5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.312 -6.315 -6.039 1.00 0.00 H new ATOM 435 N TRP A 30 10.790 -10.711 -4.757 1.00 0.00 N ATOM 436 CA TRP A 30 11.158 -11.872 -3.964 1.00 0.00 C ATOM 437 C TRP A 30 10.204 -12.092 -2.783 1.00 0.00 C ATOM 438 O TRP A 30 10.174 -13.199 -2.246 1.00 0.00 O ATOM 439 CB TRP A 30 12.608 -11.730 -3.492 1.00 0.00 C ATOM 440 CG TRP A 30 12.965 -10.462 -2.778 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.610 -9.413 -3.333 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.744 -10.097 -1.381 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.824 -8.438 -2.386 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.298 -8.800 -1.162 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.137 -10.729 -0.274 1.00 0.00 C ATOM 446 CZ2 TRP A 30 13.243 -8.161 0.085 1.00 0.00 C ATOM 447 CZ3 TRP A 30 12.057 -10.089 0.976 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.603 -8.806 1.156 1.00 0.00 C ATOM 0 H TRP A 30 11.433 -9.924 -4.669 1.00 0.00 H new ATOM 0 HA TRP A 30 11.073 -12.757 -4.594 1.00 0.00 H new ATOM 0 HB2 TRP A 30 12.834 -12.567 -2.831 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.259 -11.825 -4.361 1.00 0.00 H new ATOM 0 HD1 TRP A 30 13.913 -9.349 -4.368 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.310 -7.559 -2.566 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.727 -11.721 -0.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.687 -7.186 0.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.573 -10.587 1.803 1.00 0.00 H new ATOM 0 HH2 TRP A 30 12.530 -8.317 2.116 1.00 0.00 H new ATOM 459 N CYS A 31 9.386 -11.110 -2.386 1.00 0.00 N ATOM 460 CA CYS A 31 8.486 -11.299 -1.248 1.00 0.00 C ATOM 461 C CYS A 31 7.305 -12.217 -1.612 1.00 0.00 C ATOM 462 O CYS A 31 6.343 -11.792 -2.247 1.00 0.00 O ATOM 463 CB CYS A 31 8.010 -9.937 -0.740 1.00 0.00 C ATOM 464 SG CYS A 31 6.631 -10.000 0.419 1.00 0.00 S ATOM 0 H CYS A 31 9.330 -10.193 -2.828 1.00 0.00 H new ATOM 0 HA CYS A 31 9.031 -11.797 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.847 -9.432 -0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.719 -9.328 -1.596 1.00 0.00 H new ATOM 469 N GLY A 32 7.366 -13.484 -1.185 1.00 0.00 N ATOM 470 CA GLY A 32 6.337 -14.499 -1.416 1.00 0.00 C ATOM 471 C GLY A 32 4.907 -14.011 -1.148 1.00 0.00 C ATOM 472 O GLY A 32 4.088 -14.003 -2.069 1.00 0.00 O ATOM 0 H GLY A 32 8.160 -13.840 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.405 -14.842 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.541 -15.360 -0.780 1.00 0.00 H new ATOM 476 N PRO A 33 4.580 -13.621 0.098 1.00 0.00 N ATOM 477 CA PRO A 33 3.272 -13.088 0.447 1.00 0.00 C ATOM 478 C PRO A 33 2.830 -11.998 -0.525 1.00 0.00 C ATOM 479 O PRO A 33 1.681 -11.961 -0.955 1.00 0.00 O ATOM 480 CB PRO A 33 3.421 -12.523 1.861 1.00 0.00 C ATOM 481 CG PRO A 33 4.481 -13.437 2.466 1.00 0.00 C ATOM 482 CD PRO A 33 5.419 -13.704 1.284 1.00 0.00 C ATOM 0 HA PRO A 33 2.508 -13.864 0.396 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.740 -11.481 1.851 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.484 -12.564 2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.002 -12.958 3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.046 -14.359 2.853 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.224 -12.970 1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.886 -14.685 1.367 1.00 0.00 H new ATOM 490 N CYS A 34 3.769 -11.121 -0.876 1.00 0.00 N ATOM 491 CA CYS A 34 3.524 -10.005 -1.766 1.00 0.00 C ATOM 492 C CYS A 34 3.127 -10.541 -3.141 1.00 0.00 C ATOM 493 O CYS A 34 2.110 -10.129 -3.693 1.00 0.00 O ATOM 494 CB CYS A 34 4.732 -9.080 -1.856 1.00 0.00 C ATOM 495 SG CYS A 34 5.398 -8.473 -0.282 1.00 0.00 S ATOM 0 H CYS A 34 4.731 -11.173 -0.542 1.00 0.00 H new ATOM 0 HA CYS A 34 2.706 -9.406 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.527 -9.606 -2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.459 -8.219 -2.467 1.00 0.00 H new ATOM 500 N ARG A 35 3.909 -11.475 -3.695 1.00 0.00 N ATOM 501 CA ARG A 35 3.607 -12.071 -4.985 1.00 0.00 C ATOM 502 C ARG A 35 2.207 -12.676 -4.996 1.00 0.00 C ATOM 503 O ARG A 35 1.448 -12.422 -5.925 1.00 0.00 O ATOM 504 CB ARG A 35 4.611 -13.178 -5.329 1.00 0.00 C ATOM 505 CG ARG A 35 5.992 -12.662 -5.739 1.00 0.00 C ATOM 506 CD ARG A 35 6.745 -13.757 -6.516 1.00 0.00 C ATOM 507 NE ARG A 35 6.908 -14.994 -5.737 1.00 0.00 N ATOM 508 CZ ARG A 35 7.797 -15.168 -4.749 1.00 0.00 C ATOM 509 NH1 ARG A 35 8.582 -14.159 -4.366 1.00 0.00 N ATOM 510 NH2 ARG A 35 7.890 -16.355 -4.141 1.00 0.00 N ATOM 0 H ARG A 35 4.760 -11.831 -3.260 1.00 0.00 H new ATOM 0 HA ARG A 35 3.669 -11.273 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.722 -13.835 -4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.205 -13.783 -6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.889 -11.770 -6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.560 -12.374 -4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.205 -13.980 -7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.727 -13.382 -6.805 1.00 0.00 H new ATOM 0 HE ARG A 35 6.298 -15.779 -5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.507 -13.251 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.257 -14.295 -3.614 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.286 -17.124 -4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.565 -16.491 -3.389 1.00 0.00 H new ATOM 524 N ILE A 36 1.861 -13.493 -3.996 1.00 0.00 N ATOM 525 CA ILE A 36 0.566 -14.169 -4.032 1.00 0.00 C ATOM 526 C ILE A 36 -0.599 -13.184 -3.841 1.00 0.00 C ATOM 527 O ILE A 36 -1.648 -13.406 -4.441 1.00 0.00 O ATOM 528 CB ILE A 36 0.532 -15.405 -3.105 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.765 -15.124 -1.614 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.611 -16.393 -3.578 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.532 -14.821 -0.859 1.00 0.00 C ATOM 0 H ILE A 36 2.438 -13.696 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 36 0.424 -14.575 -5.034 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.482 -15.799 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.253 -15.986 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.447 -14.280 -1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.604 -17.274 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.406 -16.691 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.589 -15.915 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.306 -14.630 0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.009 -13.942 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.206 -15.674 -0.936 1.00 0.00 H new ATOM 543 N ILE A 37 -0.458 -12.100 -3.061 1.00 0.00 N ATOM 544 CA ILE A 37 -1.563 -11.138 -2.940 1.00 0.00 C ATOM 545 C ILE A 37 -1.605 -10.177 -4.140 1.00 0.00 C ATOM 546 O ILE A 37 -2.680 -9.703 -4.496 1.00 0.00 O ATOM 547 CB ILE A 37 -1.528 -10.354 -1.608 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.291 -9.448 -1.494 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.641 -11.328 -0.426 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.075 -8.842 -0.103 1.00 0.00 C ATOM 0 H ILE A 37 0.378 -11.873 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.481 -11.725 -2.939 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.388 -9.684 -1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.593 -10.025 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.380 -8.639 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.616 -10.769 0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.580 -11.877 -0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.808 -12.030 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.818 -8.218 -0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.939 -8.235 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.049 -9.642 0.627 1.00 0.00 H new ATOM 562 N ALA A 38 -0.463 -9.889 -4.778 1.00 0.00 N ATOM 563 CA ALA A 38 -0.328 -8.917 -5.868 1.00 0.00 C ATOM 564 C ALA A 38 -1.486 -8.904 -6.881 1.00 0.00 C ATOM 565 O ALA A 38 -1.996 -7.820 -7.157 1.00 0.00 O ATOM 566 CB ALA A 38 1.008 -9.104 -6.598 1.00 0.00 C ATOM 0 H ALA A 38 0.420 -10.341 -4.541 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.361 -7.944 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.088 -8.373 -7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.829 -8.962 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.057 -10.110 -7.015 1.00 0.00 H new ATOM 572 N PRO A 39 -1.942 -10.039 -7.443 1.00 0.00 N ATOM 573 CA PRO A 39 -3.033 -10.038 -8.406 1.00 0.00 C ATOM 574 C PRO A 39 -4.300 -9.480 -7.761 1.00 0.00 C ATOM 575 O PRO A 39 -5.074 -8.765 -8.390 1.00 0.00 O ATOM 576 CB PRO A 39 -3.232 -11.500 -8.836 1.00 0.00 C ATOM 577 CG PRO A 39 -1.958 -12.204 -8.369 1.00 0.00 C ATOM 578 CD PRO A 39 -1.593 -11.408 -7.121 1.00 0.00 C ATOM 0 HA PRO A 39 -2.809 -9.409 -9.268 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.119 -11.934 -8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.361 -11.584 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.133 -13.256 -8.145 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.171 -12.165 -9.122 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.144 -11.763 -6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.532 -11.502 -6.887 1.00 0.00 H new ATOM 586 N VAL A 40 -4.494 -9.814 -6.484 1.00 0.00 N ATOM 587 CA VAL A 40 -5.630 -9.391 -5.695 1.00 0.00 C ATOM 588 C VAL A 40 -5.485 -7.897 -5.391 1.00 0.00 C ATOM 589 O VAL A 40 -6.443 -7.143 -5.529 1.00 0.00 O ATOM 590 CB VAL A 40 -5.746 -10.259 -4.426 1.00 0.00 C ATOM 591 CG1 VAL A 40 -7.176 -10.178 -3.894 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.439 -11.742 -4.690 1.00 0.00 C ATOM 0 H VAL A 40 -3.842 -10.402 -5.965 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.561 -9.530 -6.245 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.017 -9.874 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.265 -10.790 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.416 -9.143 -3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.868 -10.544 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.536 -12.305 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.141 -12.133 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.422 -11.841 -5.069 1.00 0.00 H new ATOM 602 N VAL A 41 -4.286 -7.450 -5.002 1.00 0.00 N ATOM 603 CA VAL A 41 -3.998 -6.034 -4.781 1.00 0.00 C ATOM 604 C VAL A 41 -4.414 -5.278 -6.058 1.00 0.00 C ATOM 605 O VAL A 41 -5.229 -4.356 -6.017 1.00 0.00 O ATOM 606 CB VAL A 41 -2.499 -5.856 -4.429 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.072 -4.405 -4.186 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.108 -6.608 -3.152 1.00 0.00 C ATOM 0 H VAL A 41 -3.489 -8.063 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.558 -5.627 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.998 -6.251 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.009 -4.374 -3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.259 -3.816 -5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.644 -3.992 -3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.049 -6.452 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.698 -6.234 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.299 -7.673 -3.284 1.00 0.00 H new ATOM 618 N ASP A 42 -3.908 -5.717 -7.211 1.00 0.00 N ATOM 619 CA ASP A 42 -4.215 -5.099 -8.492 1.00 0.00 C ATOM 620 C ASP A 42 -5.708 -5.133 -8.805 1.00 0.00 C ATOM 621 O ASP A 42 -6.268 -4.104 -9.182 1.00 0.00 O ATOM 622 CB ASP A 42 -3.430 -5.793 -9.607 1.00 0.00 C ATOM 623 CG ASP A 42 -1.938 -5.487 -9.539 1.00 0.00 C ATOM 624 OD1 ASP A 42 -1.611 -4.310 -9.267 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.146 -6.425 -9.770 1.00 0.00 O ATOM 0 H ASP A 42 -3.273 -6.513 -7.278 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.919 -4.052 -8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.581 -6.870 -9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.820 -5.477 -10.574 1.00 0.00 H new ATOM 630 N GLU A 43 -6.370 -6.288 -8.679 1.00 0.00 N ATOM 631 CA GLU A 43 -7.786 -6.350 -8.999 1.00 0.00 C ATOM 632 C GLU A 43 -8.554 -5.385 -8.100 1.00 0.00 C ATOM 633 O GLU A 43 -9.388 -4.640 -8.603 1.00 0.00 O ATOM 634 CB GLU A 43 -8.327 -7.785 -8.940 1.00 0.00 C ATOM 635 CG GLU A 43 -8.961 -8.197 -7.605 1.00 0.00 C ATOM 636 CD GLU A 43 -9.405 -9.649 -7.631 1.00 0.00 C ATOM 637 OE1 GLU A 43 -10.537 -9.887 -8.105 1.00 0.00 O ATOM 638 OE2 GLU A 43 -8.602 -10.494 -7.182 1.00 0.00 O ATOM 0 H GLU A 43 -5.956 -7.166 -8.366 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.931 -6.033 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.070 -7.907 -9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.510 -8.472 -9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.244 -8.048 -6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.817 -7.556 -7.393 1.00 0.00 H new ATOM 645 N ILE A 44 -8.244 -5.344 -6.803 1.00 0.00 N ATOM 646 CA ILE A 44 -8.895 -4.435 -5.870 1.00 0.00 C ATOM 647 C ILE A 44 -8.697 -2.994 -6.342 1.00 0.00 C ATOM 648 O ILE A 44 -9.637 -2.198 -6.302 1.00 0.00 O ATOM 649 CB ILE A 44 -8.384 -4.716 -4.448 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.975 -6.072 -4.020 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.833 -3.625 -3.471 1.00 0.00 C ATOM 652 CD1 ILE A 44 -8.418 -6.586 -2.696 1.00 0.00 C ATOM 0 H ILE A 44 -7.536 -5.940 -6.375 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.973 -4.595 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.294 -4.732 -4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.058 -5.978 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.777 -6.808 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.456 -3.852 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.441 -2.661 -3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.922 -3.584 -3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.878 -7.545 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.339 -6.712 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.639 -5.869 -1.905 1.00 0.00 H new ATOM 664 N ALA A 45 -7.494 -2.652 -6.817 1.00 0.00 N ATOM 665 CA ALA A 45 -7.269 -1.341 -7.416 1.00 0.00 C ATOM 666 C ALA A 45 -8.264 -1.151 -8.564 1.00 0.00 C ATOM 667 O ALA A 45 -8.936 -0.127 -8.654 1.00 0.00 O ATOM 668 CB ALA A 45 -5.838 -1.239 -7.939 1.00 0.00 C ATOM 0 H ALA A 45 -6.674 -3.259 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.415 -0.563 -6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.682 -0.256 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.139 -1.379 -7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.670 -2.009 -8.692 1.00 0.00 H new ATOM 674 N GLY A 46 -8.356 -2.162 -9.435 1.00 0.00 N ATOM 675 CA GLY A 46 -9.313 -2.199 -10.527 1.00 0.00 C ATOM 676 C GLY A 46 -10.742 -1.948 -10.039 1.00 0.00 C ATOM 677 O GLY A 46 -11.470 -1.197 -10.683 1.00 0.00 O ATOM 0 H GLY A 46 -7.755 -2.985 -9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.046 -1.448 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.263 -3.169 -11.022 1.00 0.00 H new ATOM 681 N GLU A 47 -11.159 -2.571 -8.929 1.00 0.00 N ATOM 682 CA GLU A 47 -12.485 -2.375 -8.377 1.00 0.00 C ATOM 683 C GLU A 47 -12.713 -0.903 -8.051 1.00 0.00 C ATOM 684 O GLU A 47 -13.682 -0.315 -8.528 1.00 0.00 O ATOM 685 CB GLU A 47 -12.688 -3.244 -7.129 1.00 0.00 C ATOM 686 CG GLU A 47 -12.503 -4.753 -7.359 1.00 0.00 C ATOM 687 CD GLU A 47 -13.421 -5.352 -8.421 1.00 0.00 C ATOM 688 OE1 GLU A 47 -14.522 -4.789 -8.612 1.00 0.00 O ATOM 689 OE2 GLU A 47 -13.003 -6.370 -9.015 1.00 0.00 O ATOM 0 H GLU A 47 -10.580 -3.221 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.217 -2.680 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.988 -2.919 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.692 -3.070 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.468 -4.939 -7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.671 -5.274 -6.416 1.00 0.00 H new ATOM 696 N TYR A 48 -11.824 -0.288 -7.266 1.00 0.00 N ATOM 697 CA TYR A 48 -12.005 1.116 -6.893 1.00 0.00 C ATOM 698 C TYR A 48 -11.499 2.073 -7.963 1.00 0.00 C ATOM 699 O TYR A 48 -10.753 3.015 -7.670 1.00 0.00 O ATOM 700 CB TYR A 48 -11.388 1.444 -5.539 1.00 0.00 C ATOM 701 CG TYR A 48 -11.853 0.518 -4.456 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.114 0.724 -3.873 1.00 0.00 C ATOM 703 CD2 TYR A 48 -10.935 -0.371 -3.882 1.00 0.00 C ATOM 704 CE1 TYR A 48 -13.542 -0.132 -2.842 1.00 0.00 C ATOM 705 CE2 TYR A 48 -11.336 -1.171 -2.799 1.00 0.00 C ATOM 706 CZ TYR A 48 -12.660 -1.104 -2.331 1.00 0.00 C ATOM 707 OH TYR A 48 -13.027 -1.897 -1.286 1.00 0.00 O ATOM 0 H TYR A 48 -10.988 -0.730 -6.883 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.082 1.260 -6.807 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.302 1.391 -5.616 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.639 2.470 -5.268 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.748 1.530 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.929 -0.441 -4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.542 -0.044 -2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.628 -1.836 -2.327 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.936 -1.665 -1.003 1.00 0.00 H new ATOM 717 N LYS A 49 -12.008 1.849 -9.177 1.00 0.00 N ATOM 718 CA LYS A 49 -11.818 2.685 -10.344 1.00 0.00 C ATOM 719 C LYS A 49 -12.480 4.036 -10.077 1.00 0.00 C ATOM 720 O LYS A 49 -12.150 5.012 -10.745 1.00 0.00 O ATOM 721 CB LYS A 49 -12.419 1.969 -11.562 1.00 0.00 C ATOM 722 CG LYS A 49 -12.384 2.801 -12.851 1.00 0.00 C ATOM 723 CD LYS A 49 -12.805 1.972 -14.075 1.00 0.00 C ATOM 724 CE LYS A 49 -14.166 1.280 -13.912 1.00 0.00 C ATOM 725 NZ LYS A 49 -15.227 2.226 -13.521 1.00 0.00 N ATOM 0 H LYS A 49 -12.592 1.036 -9.373 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.762 2.861 -10.551 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.878 1.037 -11.727 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.452 1.702 -11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.047 3.660 -12.748 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.378 3.192 -13.005 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.840 2.623 -14.949 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.044 1.216 -14.270 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.440 0.796 -14.849 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.085 0.496 -13.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.149 1.746 -13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.049 2.568 -12.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.233 3.032 -14.178 1.00 0.00 H new ATOM 739 N ASP A 50 -13.433 4.065 -9.131 1.00 0.00 N ATOM 740 CA ASP A 50 -13.996 5.277 -8.566 1.00 0.00 C ATOM 741 C ASP A 50 -12.792 5.941 -7.907 1.00 0.00 C ATOM 742 O ASP A 50 -12.060 6.647 -8.587 1.00 0.00 O ATOM 743 CB ASP A 50 -15.116 4.921 -7.578 1.00 0.00 C ATOM 744 CG ASP A 50 -16.280 4.239 -8.285 1.00 0.00 C ATOM 745 OD1 ASP A 50 -16.150 3.018 -8.521 1.00 0.00 O ATOM 746 OD2 ASP A 50 -17.267 4.947 -8.580 1.00 0.00 O ATOM 0 H ASP A 50 -13.836 3.216 -8.735 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.468 5.942 -9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.724 4.264 -6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.468 5.826 -7.082 1.00 0.00 H new ATOM 751 N LYS A 51 -12.559 5.684 -6.615 1.00 0.00 N ATOM 752 CA LYS A 51 -11.288 5.987 -5.980 1.00 0.00 C ATOM 753 C LYS A 51 -11.089 5.224 -4.693 1.00 0.00 C ATOM 754 O LYS A 51 -11.725 5.541 -3.689 1.00 0.00 O ATOM 755 CB LYS A 51 -11.030 7.460 -5.592 1.00 0.00 C ATOM 756 CG LYS A 51 -10.861 8.509 -6.703 1.00 0.00 C ATOM 757 CD LYS A 51 -9.519 8.429 -7.473 1.00 0.00 C ATOM 758 CE LYS A 51 -8.926 7.032 -7.748 1.00 0.00 C ATOM 759 NZ LYS A 51 -7.688 7.125 -8.539 1.00 0.00 N ATOM 0 H LYS A 51 -13.247 5.263 -5.990 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.600 5.701 -6.776 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.857 7.782 -4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.130 7.485 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.679 8.399 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.953 9.502 -6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.653 8.930 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.779 9.002 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.720 6.529 -6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.656 6.423 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.312 6.170 -8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.892 7.584 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.985 7.687 -8.018 1.00 0.00 H new ATOM 773 N LEU A 52 -10.161 4.273 -4.698 1.00 0.00 N ATOM 774 CA LEU A 52 -9.642 3.855 -3.406 1.00 0.00 C ATOM 775 C LEU A 52 -8.196 3.353 -3.501 1.00 0.00 C ATOM 776 O LEU A 52 -7.558 3.296 -4.550 1.00 0.00 O ATOM 777 CB LEU A 52 -10.616 2.924 -2.648 1.00 0.00 C ATOM 778 CG LEU A 52 -10.511 2.881 -1.113 1.00 0.00 C ATOM 779 CD1 LEU A 52 -10.342 4.246 -0.448 1.00 0.00 C ATOM 780 CD2 LEU A 52 -11.730 2.151 -0.536 1.00 0.00 C ATOM 0 H LEU A 52 -9.776 3.806 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.581 4.739 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.633 3.219 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.473 1.911 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.593 2.338 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.277 4.119 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.430 4.718 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.198 4.876 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.655 2.121 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.640 2.679 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.763 1.134 -0.926 1.00 0.00 H new ATOM 792 N LYS A 53 -7.766 2.927 -2.329 1.00 0.00 N ATOM 793 CA LYS A 53 -6.472 2.763 -1.770 1.00 0.00 C ATOM 794 C LYS A 53 -5.530 1.633 -2.138 1.00 0.00 C ATOM 795 O LYS A 53 -5.120 0.910 -1.238 1.00 0.00 O ATOM 796 CB LYS A 53 -6.844 2.584 -0.266 1.00 0.00 C ATOM 797 CG LYS A 53 -7.492 1.230 0.157 1.00 0.00 C ATOM 798 CD LYS A 53 -8.089 0.219 -0.859 1.00 0.00 C ATOM 799 CE LYS A 53 -7.679 -1.234 -0.557 1.00 0.00 C ATOM 800 NZ LYS A 53 -6.342 -1.561 -1.079 1.00 0.00 N ATOM 0 H LYS A 53 -8.462 2.642 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.878 3.599 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.938 2.723 0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.529 3.386 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.733 0.688 0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.293 1.476 0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.176 0.296 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.762 0.484 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.695 -1.396 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.412 -1.913 -0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.942 -2.353 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.417 -1.830 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.722 -0.731 -0.989 1.00 0.00 H new ATOM 814 N CYS A 54 -5.022 1.558 -3.366 1.00 0.00 N ATOM 815 CA CYS A 54 -4.162 0.421 -3.677 1.00 0.00 C ATOM 816 C CYS A 54 -2.879 0.801 -4.392 1.00 0.00 C ATOM 817 O CYS A 54 -2.863 1.202 -5.558 1.00 0.00 O ATOM 818 CB CYS A 54 -5.024 -0.571 -4.436 1.00 0.00 C ATOM 819 SG CYS A 54 -4.492 -2.223 -4.001 1.00 0.00 S ATOM 0 H CYS A 54 -5.177 2.227 -4.121 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.785 -0.033 -2.761 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.075 -0.432 -4.184 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.930 -0.412 -5.510 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.878 -3.059 -4.919 1.00 0.00 H new ATOM 825 N VAL A 55 -1.787 0.660 -3.640 1.00 0.00 N ATOM 826 CA VAL A 55 -0.451 1.021 -4.020 1.00 0.00 C ATOM 827 C VAL A 55 0.497 0.020 -3.367 1.00 0.00 C ATOM 828 O VAL A 55 0.113 -0.687 -2.434 1.00 0.00 O ATOM 829 CB VAL A 55 -0.183 2.444 -3.503 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.050 3.031 -4.154 1.00 0.00 C ATOM 831 CG2 VAL A 55 -1.306 3.448 -3.765 1.00 0.00 C ATOM 0 H VAL A 55 -1.830 0.267 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.309 1.002 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.075 2.307 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.219 4.038 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.914 2.407 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.907 3.072 -5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.024 4.422 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.475 3.533 -4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.220 3.106 -3.279 1.00 0.00 H new ATOM 841 N LYS A 56 1.737 -0.043 -3.848 1.00 0.00 N ATOM 842 CA LYS A 56 2.728 -0.956 -3.330 1.00 0.00 C ATOM 843 C LYS A 56 4.141 -0.400 -3.570 1.00 0.00 C ATOM 844 O LYS A 56 4.533 -0.127 -4.711 1.00 0.00 O ATOM 845 CB LYS A 56 2.458 -2.330 -3.949 1.00 0.00 C ATOM 846 CG LYS A 56 2.514 -2.338 -5.480 1.00 0.00 C ATOM 847 CD LYS A 56 2.105 -3.707 -6.027 1.00 0.00 C ATOM 848 CE LYS A 56 1.595 -3.515 -7.460 1.00 0.00 C ATOM 849 NZ LYS A 56 1.115 -4.780 -8.044 1.00 0.00 N ATOM 0 H LYS A 56 2.074 0.544 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 56 2.662 -1.070 -2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.188 -3.042 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.475 -2.676 -3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.852 -1.569 -5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.522 -2.094 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.953 -4.391 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.329 -4.150 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.787 -2.783 -7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.395 -3.109 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.262 -4.599 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.855 -5.185 -8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.888 -5.450 -7.282 1.00 0.00 H new ATOM 863 N LEU A 57 4.905 -0.213 -2.489 1.00 0.00 N ATOM 864 CA LEU A 57 6.244 0.375 -2.530 1.00 0.00 C ATOM 865 C LEU A 57 7.290 -0.711 -2.741 1.00 0.00 C ATOM 866 O LEU A 57 7.417 -1.636 -1.940 1.00 0.00 O ATOM 867 CB LEU A 57 6.465 1.199 -1.251 1.00 0.00 C ATOM 868 CG LEU A 57 7.830 1.842 -0.982 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.877 0.831 -0.510 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.324 2.654 -2.179 1.00 0.00 C ATOM 0 H LEU A 57 4.605 -0.470 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 57 6.343 1.055 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.724 1.998 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.239 0.551 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 57 7.682 2.539 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.824 1.342 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.540 0.364 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.014 0.066 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.294 3.092 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.420 2.001 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.611 3.448 -2.399 1.00 0.00 H new ATOM 882 N ASN A 58 8.039 -0.624 -3.848 1.00 0.00 N ATOM 883 CA ASN A 58 9.097 -1.592 -4.114 1.00 0.00 C ATOM 884 C ASN A 58 10.256 -1.319 -3.157 1.00 0.00 C ATOM 885 O ASN A 58 11.006 -0.362 -3.323 1.00 0.00 O ATOM 886 CB ASN A 58 9.566 -1.538 -5.567 1.00 0.00 C ATOM 887 CG ASN A 58 10.583 -2.656 -5.805 1.00 0.00 C ATOM 888 OD1 ASN A 58 11.621 -2.718 -5.156 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.288 -3.584 -6.705 1.00 0.00 N ATOM 0 H ASN A 58 7.931 0.097 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 58 8.707 -2.597 -3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.717 -1.652 -6.241 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.015 -0.568 -5.782 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.928 -4.362 -6.864 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.421 -3.520 -7.238 1.00 0.00 H new ATOM 896 N THR A 59 10.394 -2.180 -2.156 1.00 0.00 N ATOM 897 CA THR A 59 11.337 -2.032 -1.057 1.00 0.00 C ATOM 898 C THR A 59 12.777 -2.211 -1.526 1.00 0.00 C ATOM 899 O THR A 59 13.692 -1.596 -0.990 1.00 0.00 O ATOM 900 CB THR A 59 10.975 -3.062 0.021 1.00 0.00 C ATOM 901 OG1 THR A 59 9.589 -2.984 0.284 1.00 0.00 O ATOM 902 CG2 THR A 59 11.728 -2.807 1.326 1.00 0.00 C ATOM 0 H THR A 59 9.833 -3.029 -2.086 1.00 0.00 H new ATOM 0 HA THR A 59 11.268 -1.023 -0.649 1.00 0.00 H new ATOM 0 HB THR A 59 11.253 -4.048 -0.351 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.102 -3.542 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.443 -3.558 2.063 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.801 -2.865 1.144 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.477 -1.815 1.703 1.00 0.00 H new ATOM 910 N ASP A 60 12.974 -3.052 -2.538 1.00 0.00 N ATOM 911 CA ASP A 60 14.281 -3.355 -3.099 1.00 0.00 C ATOM 912 C ASP A 60 14.855 -2.098 -3.768 1.00 0.00 C ATOM 913 O ASP A 60 16.037 -1.783 -3.653 1.00 0.00 O ATOM 914 CB ASP A 60 14.079 -4.514 -4.083 1.00 0.00 C ATOM 915 CG ASP A 60 15.313 -5.394 -4.209 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.250 -4.976 -4.919 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.270 -6.486 -3.595 1.00 0.00 O ATOM 0 H ASP A 60 12.212 -3.550 -2.998 1.00 0.00 H new ATOM 0 HA ASP A 60 15.003 -3.653 -2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.236 -5.122 -3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.821 -4.113 -5.063 1.00 0.00 H new ATOM 922 N GLU A 61 13.961 -1.361 -4.434 1.00 0.00 N ATOM 923 CA GLU A 61 14.216 -0.121 -5.149 1.00 0.00 C ATOM 924 C GLU A 61 14.120 1.101 -4.221 1.00 0.00 C ATOM 925 O GLU A 61 14.697 2.148 -4.511 1.00 0.00 O ATOM 926 CB GLU A 61 13.169 -0.029 -6.268 1.00 0.00 C ATOM 927 CG GLU A 61 13.535 0.968 -7.370 1.00 0.00 C ATOM 928 CD GLU A 61 14.657 0.447 -8.263 1.00 0.00 C ATOM 929 OE1 GLU A 61 14.366 -0.481 -9.050 1.00 0.00 O ATOM 930 OE2 GLU A 61 15.782 0.975 -8.136 1.00 0.00 O ATOM 0 H GLU A 61 12.981 -1.638 -4.487 1.00 0.00 H new ATOM 0 HA GLU A 61 15.229 -0.123 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.036 -1.016 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.211 0.257 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.655 1.175 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.840 1.912 -6.918 1.00 0.00 H new ATOM 937 N SER A 62 13.346 0.995 -3.136 1.00 0.00 N ATOM 938 CA SER A 62 13.112 2.047 -2.156 1.00 0.00 C ATOM 939 C SER A 62 13.417 1.592 -0.724 1.00 0.00 C ATOM 940 O SER A 62 12.565 1.739 0.157 1.00 0.00 O ATOM 941 CB SER A 62 11.660 2.504 -2.263 1.00 0.00 C ATOM 942 OG SER A 62 11.493 3.672 -1.488 1.00 0.00 O ATOM 0 H SER A 62 12.846 0.134 -2.912 1.00 0.00 H new ATOM 0 HA SER A 62 13.790 2.872 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.402 2.701 -3.303 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.990 1.719 -1.912 1.00 0.00 H new ATOM 0 HG SER A 62 11.689 3.472 -0.549 1.00 0.00 H new ATOM 948 N PRO A 63 14.637 1.108 -0.463 1.00 0.00 N ATOM 949 CA PRO A 63 15.090 0.755 0.868 1.00 0.00 C ATOM 950 C PRO A 63 15.110 2.025 1.713 1.00 0.00 C ATOM 951 O PRO A 63 14.893 1.977 2.915 1.00 0.00 O ATOM 952 CB PRO A 63 16.493 0.174 0.683 1.00 0.00 C ATOM 953 CG PRO A 63 16.994 0.910 -0.560 1.00 0.00 C ATOM 954 CD PRO A 63 15.729 1.016 -1.410 1.00 0.00 C ATOM 0 HA PRO A 63 14.448 0.032 1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.128 0.362 1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.469 -0.905 0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.402 1.891 -0.315 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.781 0.356 -1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.763 1.892 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.616 0.146 -2.057 1.00 0.00 H new ATOM 962 N ASN A 64 15.373 3.157 1.055 1.00 0.00 N ATOM 963 CA ASN A 64 15.401 4.501 1.619 1.00 0.00 C ATOM 964 C ASN A 64 14.260 4.721 2.615 1.00 0.00 C ATOM 965 O ASN A 64 14.468 4.733 3.827 1.00 0.00 O ATOM 966 CB ASN A 64 15.287 5.520 0.475 1.00 0.00 C ATOM 967 CG ASN A 64 16.561 5.650 -0.357 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.501 4.877 -0.205 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.590 6.611 -1.272 1.00 0.00 N ATOM 0 H ASN A 64 15.584 3.155 0.057 1.00 0.00 H new ATOM 0 HA ASN A 64 16.340 4.630 2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.464 5.230 -0.178 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.034 6.495 0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.409 6.721 -1.871 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.794 7.240 -1.377 1.00 0.00 H new ATOM 976 N VAL A 65 13.047 4.895 2.089 1.00 0.00 N ATOM 977 CA VAL A 65 11.837 5.154 2.856 1.00 0.00 C ATOM 978 C VAL A 65 11.675 4.109 3.957 1.00 0.00 C ATOM 979 O VAL A 65 11.419 4.427 5.118 1.00 0.00 O ATOM 980 CB VAL A 65 10.649 5.131 1.882 1.00 0.00 C ATOM 981 CG1 VAL A 65 9.322 5.277 2.619 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.774 6.266 0.863 1.00 0.00 C ATOM 0 H VAL A 65 12.879 4.857 1.084 1.00 0.00 H new ATOM 0 HA VAL A 65 11.890 6.127 3.344 1.00 0.00 H new ATOM 0 HB VAL A 65 10.666 4.168 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.503 5.257 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.206 4.455 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.308 6.224 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.925 6.237 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.787 7.223 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.699 6.148 0.298 1.00 0.00 H new ATOM 992 N ALA A 66 11.829 2.849 3.560 1.00 0.00 N ATOM 993 CA ALA A 66 11.718 1.715 4.466 1.00 0.00 C ATOM 994 C ALA A 66 12.667 1.879 5.660 1.00 0.00 C ATOM 995 O ALA A 66 12.280 1.602 6.791 1.00 0.00 O ATOM 996 CB ALA A 66 11.987 0.415 3.704 1.00 0.00 C ATOM 0 H ALA A 66 12.035 2.587 2.596 1.00 0.00 H new ATOM 0 HA ALA A 66 10.704 1.672 4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.903 -0.431 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.259 0.307 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.992 0.442 3.282 1.00 0.00 H new ATOM 1002 N SER A 67 13.893 2.351 5.420 1.00 0.00 N ATOM 1003 CA SER A 67 14.890 2.578 6.457 1.00 0.00 C ATOM 1004 C SER A 67 14.514 3.794 7.299 1.00 0.00 C ATOM 1005 O SER A 67 14.630 3.750 8.520 1.00 0.00 O ATOM 1006 CB SER A 67 16.276 2.760 5.831 1.00 0.00 C ATOM 1007 OG SER A 67 16.601 1.633 5.042 1.00 0.00 O ATOM 0 H SER A 67 14.221 2.588 4.484 1.00 0.00 H new ATOM 0 HA SER A 67 14.920 1.706 7.110 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.292 3.661 5.217 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.023 2.894 6.613 1.00 0.00 H new ATOM 0 HG SER A 67 16.006 1.596 4.264 1.00 0.00 H new ATOM 1013 N GLU A 68 14.063 4.872 6.651 1.00 0.00 N ATOM 1014 CA GLU A 68 13.633 6.085 7.342 1.00 0.00 C ATOM 1015 C GLU A 68 12.537 5.751 8.358 1.00 0.00 C ATOM 1016 O GLU A 68 12.558 6.257 9.477 1.00 0.00 O ATOM 1017 CB GLU A 68 13.129 7.130 6.337 1.00 0.00 C ATOM 1018 CG GLU A 68 14.251 7.713 5.467 1.00 0.00 C ATOM 1019 CD GLU A 68 15.268 8.501 6.287 1.00 0.00 C ATOM 1020 OE1 GLU A 68 14.893 9.601 6.747 1.00 0.00 O ATOM 1021 OE2 GLU A 68 16.398 7.988 6.439 1.00 0.00 O ATOM 0 H GLU A 68 13.987 4.926 5.635 1.00 0.00 H new ATOM 0 HA GLU A 68 14.488 6.504 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.377 6.674 5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.638 7.939 6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.759 6.904 4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.818 8.363 4.707 1.00 0.00 H new ATOM 1028 N TYR A 69 11.590 4.891 7.974 1.00 0.00 N ATOM 1029 CA TYR A 69 10.529 4.469 8.880 1.00 0.00 C ATOM 1030 C TYR A 69 11.060 3.407 9.851 1.00 0.00 C ATOM 1031 O TYR A 69 10.657 3.381 11.011 1.00 0.00 O ATOM 1032 CB TYR A 69 9.348 3.918 8.072 1.00 0.00 C ATOM 1033 CG TYR A 69 8.461 4.970 7.425 1.00 0.00 C ATOM 1034 CD1 TYR A 69 7.825 5.950 8.215 1.00 0.00 C ATOM 1035 CD2 TYR A 69 8.177 4.902 6.049 1.00 0.00 C ATOM 1036 CE1 TYR A 69 6.953 6.883 7.625 1.00 0.00 C ATOM 1037 CE2 TYR A 69 7.303 5.834 5.460 1.00 0.00 C ATOM 1038 CZ TYR A 69 6.700 6.828 6.244 1.00 0.00 C ATOM 1039 OH TYR A 69 5.853 7.723 5.663 1.00 0.00 O ATOM 0 H TYR A 69 11.540 4.477 7.043 1.00 0.00 H new ATOM 0 HA TYR A 69 10.187 5.326 9.460 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.736 3.263 7.292 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.734 3.302 8.729 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.008 5.984 9.279 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.631 4.132 5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.479 7.640 8.232 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.096 5.784 4.401 1.00 0.00 H new ATOM 0 HH TYR A 69 5.024 7.269 5.405 1.00 0.00 H new ATOM 1049 N GLY A 70 11.947 2.527 9.383 1.00 0.00 N ATOM 1050 CA GLY A 70 12.586 1.494 10.190 1.00 0.00 C ATOM 1051 C GLY A 70 11.840 0.168 10.081 1.00 0.00 C ATOM 1052 O GLY A 70 11.589 -0.503 11.079 1.00 0.00 O ATOM 0 H GLY A 70 12.246 2.515 8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.618 1.361 9.865 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.618 1.811 11.232 1.00 0.00 H new ATOM 1056 N ILE A 71 11.485 -0.216 8.855 1.00 0.00 N ATOM 1057 CA ILE A 71 10.769 -1.451 8.580 1.00 0.00 C ATOM 1058 C ILE A 71 11.735 -2.633 8.714 1.00 0.00 C ATOM 1059 O ILE A 71 12.808 -2.639 8.114 1.00 0.00 O ATOM 1060 CB ILE A 71 10.129 -1.344 7.187 1.00 0.00 C ATOM 1061 CG1 ILE A 71 9.055 -0.243 7.258 1.00 0.00 C ATOM 1062 CG2 ILE A 71 9.533 -2.688 6.755 1.00 0.00 C ATOM 1063 CD1 ILE A 71 8.333 -0.026 5.932 1.00 0.00 C ATOM 0 H ILE A 71 11.691 0.331 8.019 1.00 0.00 H new ATOM 0 HA ILE A 71 9.965 -1.619 9.297 1.00 0.00 H new ATOM 0 HB ILE A 71 10.877 -1.085 6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.325 -0.505 8.024 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.521 0.692 7.568 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.086 -2.587 5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.320 -3.441 6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.768 -2.993 7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.589 0.762 6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.054 0.265 5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.839 -0.950 5.631 1.00 0.00 H new ATOM 1075 N ARG A 72 11.335 -3.657 9.474 1.00 0.00 N ATOM 1076 CA ARG A 72 12.183 -4.806 9.766 1.00 0.00 C ATOM 1077 C ARG A 72 12.219 -5.795 8.596 1.00 0.00 C ATOM 1078 O ARG A 72 13.260 -6.385 8.322 1.00 0.00 O ATOM 1079 CB ARG A 72 11.663 -5.483 11.045 1.00 0.00 C ATOM 1080 CG ARG A 72 12.517 -6.670 11.523 1.00 0.00 C ATOM 1081 CD ARG A 72 14.002 -6.326 11.691 1.00 0.00 C ATOM 1082 NE ARG A 72 14.188 -5.128 12.522 1.00 0.00 N ATOM 1083 CZ ARG A 72 15.308 -4.394 12.576 1.00 0.00 C ATOM 1084 NH1 ARG A 72 16.395 -4.762 11.891 1.00 0.00 N ATOM 1085 NH2 ARG A 72 15.331 -3.286 13.324 1.00 0.00 N ATOM 0 H ARG A 72 10.411 -3.708 9.903 1.00 0.00 H new ATOM 0 HA ARG A 72 13.208 -4.466 9.917 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.615 -4.741 11.842 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.644 -5.830 10.871 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.125 -7.029 12.475 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.420 -7.488 10.809 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.523 -7.169 12.145 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.452 -6.164 10.711 1.00 0.00 H new ATOM 0 HE ARG A 72 13.403 -4.832 13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.377 -5.608 11.321 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.243 -4.197 11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.501 -3.006 13.847 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.179 -2.720 13.372 1.00 0.00 H new ATOM 1099 N SER A 73 11.085 -6.011 7.926 1.00 0.00 N ATOM 1100 CA SER A 73 10.974 -6.891 6.772 1.00 0.00 C ATOM 1101 C SER A 73 9.665 -6.551 6.067 1.00 0.00 C ATOM 1102 O SER A 73 8.992 -5.597 6.452 1.00 0.00 O ATOM 1103 CB SER A 73 11.025 -8.367 7.195 1.00 0.00 C ATOM 1104 OG SER A 73 11.043 -9.205 6.052 1.00 0.00 O ATOM 0 H SER A 73 10.202 -5.567 8.180 1.00 0.00 H new ATOM 0 HA SER A 73 11.813 -6.742 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.912 -8.548 7.801 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.161 -8.605 7.815 1.00 0.00 H new ATOM 0 HG SER A 73 11.077 -10.143 6.334 1.00 0.00 H new ATOM 1110 N ILE A 74 9.309 -7.338 5.055 1.00 0.00 N ATOM 1111 CA ILE A 74 8.111 -7.154 4.247 1.00 0.00 C ATOM 1112 C ILE A 74 7.341 -8.478 4.175 1.00 0.00 C ATOM 1113 O ILE A 74 7.957 -9.528 4.359 1.00 0.00 O ATOM 1114 CB ILE A 74 8.505 -6.616 2.863 1.00 0.00 C ATOM 1115 CG1 ILE A 74 9.616 -7.433 2.193 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.924 -5.147 3.016 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.773 -7.009 0.731 1.00 0.00 C ATOM 0 H ILE A 74 9.864 -8.144 4.768 1.00 0.00 H new ATOM 0 HA ILE A 74 7.447 -6.418 4.700 1.00 0.00 H new ATOM 0 HB ILE A 74 7.640 -6.702 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.556 -7.287 2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.380 -8.496 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.208 -4.746 2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.090 -4.571 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.772 -5.080 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.565 -7.596 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.836 -7.178 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.030 -5.951 0.685 1.00 0.00 H new ATOM 1129 N PRO A 75 6.017 -8.478 3.918 1.00 0.00 N ATOM 1130 CA PRO A 75 5.151 -7.331 3.640 1.00 0.00 C ATOM 1131 C PRO A 75 4.989 -6.410 4.849 1.00 0.00 C ATOM 1132 O PRO A 75 5.234 -6.823 5.981 1.00 0.00 O ATOM 1133 CB PRO A 75 3.798 -7.925 3.249 1.00 0.00 C ATOM 1134 CG PRO A 75 3.768 -9.249 4.014 1.00 0.00 C ATOM 1135 CD PRO A 75 5.227 -9.697 3.982 1.00 0.00 C ATOM 0 HA PRO A 75 5.584 -6.713 2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.973 -7.274 3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.721 -8.079 2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.408 -9.117 5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.112 -9.976 3.536 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.477 -10.278 4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.421 -10.334 3.119 1.00 0.00 H new ATOM 1143 N THR A 76 4.628 -5.150 4.600 1.00 0.00 N ATOM 1144 CA THR A 76 4.394 -4.156 5.641 1.00 0.00 C ATOM 1145 C THR A 76 3.558 -2.997 5.072 1.00 0.00 C ATOM 1146 O THR A 76 3.817 -2.474 4.008 1.00 0.00 O ATOM 1147 CB THR A 76 5.732 -3.686 6.262 1.00 0.00 C ATOM 1148 OG1 THR A 76 6.171 -4.623 7.225 1.00 0.00 O ATOM 1149 CG2 THR A 76 5.629 -2.349 7.002 1.00 0.00 C ATOM 0 H THR A 76 4.489 -4.790 3.656 1.00 0.00 H new ATOM 0 HA THR A 76 3.821 -4.603 6.454 1.00 0.00 H new ATOM 0 HB THR A 76 6.417 -3.583 5.420 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.767 -5.496 7.039 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.604 -2.083 7.411 1.00 0.00 H new ATOM 0 HG22 THR A 76 5.302 -1.574 6.309 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.907 -2.437 7.814 1.00 0.00 H new ATOM 1157 N ILE A 77 2.680 -2.526 5.933 1.00 0.00 N ATOM 1158 CA ILE A 77 1.478 -1.752 5.974 1.00 0.00 C ATOM 1159 C ILE A 77 1.043 -0.302 5.845 1.00 0.00 C ATOM 1160 O ILE A 77 -0.132 -0.099 6.160 1.00 0.00 O ATOM 1161 CB ILE A 77 1.358 -1.867 7.570 1.00 0.00 C ATOM 1162 CG1 ILE A 77 2.297 -0.781 8.194 1.00 0.00 C ATOM 1163 CG2 ILE A 77 1.730 -3.173 8.319 1.00 0.00 C ATOM 1164 CD1 ILE A 77 2.784 -0.956 9.642 1.00 0.00 C ATOM 0 H ILE A 77 2.879 -2.765 6.904 1.00 0.00 H new ATOM 0 HA ILE A 77 0.985 -2.103 5.068 1.00 0.00 H new ATOM 0 HB ILE A 77 0.280 -1.777 7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.179 -0.704 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.777 0.175 8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.576 -3.035 9.389 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.100 -3.988 7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.776 -3.415 8.131 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.423 -0.117 9.915 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.926 -0.991 10.313 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.349 -1.885 9.726 1.00 0.00 H new ATOM 1176 N MET A 78 1.768 0.696 5.382 1.00 0.00 N ATOM 1177 CA MET A 78 1.246 2.016 5.760 1.00 0.00 C ATOM 1178 C MET A 78 0.088 2.520 4.891 1.00 0.00 C ATOM 1179 O MET A 78 0.195 2.543 3.668 1.00 0.00 O ATOM 1180 CB MET A 78 2.402 3.008 5.792 1.00 0.00 C ATOM 1181 CG MET A 78 3.406 2.610 6.878 1.00 0.00 C ATOM 1182 SD MET A 78 4.829 3.709 7.053 1.00 0.00 S ATOM 1183 CE MET A 78 5.638 2.885 8.442 1.00 0.00 C ATOM 0 H MET A 78 2.615 0.653 4.815 1.00 0.00 H new ATOM 0 HA MET A 78 0.803 1.916 6.751 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.896 3.034 4.821 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.025 4.012 5.985 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.884 2.564 7.834 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.768 1.605 6.664 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.282 3.595 8.961 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.883 2.509 9.132 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.238 2.053 8.072 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.019 2.940 5.521 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.149 3.549 4.833 1.00 0.00 C ATOM 1195 C VAL A 79 -2.077 5.046 5.093 1.00 0.00 C ATOM 1196 O VAL A 79 -1.836 5.458 6.229 1.00 0.00 O ATOM 1197 CB VAL A 79 -3.498 3.002 5.325 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -4.667 3.515 4.463 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -3.524 1.473 5.336 1.00 0.00 C ATOM 0 H VAL A 79 -1.149 2.863 6.530 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.089 3.317 3.770 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.617 3.366 6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.604 3.107 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.701 4.604 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.524 3.198 3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.495 1.128 5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.352 1.099 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.743 1.101 5.999 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.313 5.847 4.055 1.00 0.00 N ATOM 1210 CA PHE A 80 -2.252 7.295 4.115 1.00 0.00 C ATOM 1211 C PHE A 80 -3.527 7.889 3.527 1.00 0.00 C ATOM 1212 O PHE A 80 -4.249 7.208 2.800 1.00 0.00 O ATOM 1213 CB PHE A 80 -1.043 7.792 3.307 1.00 0.00 C ATOM 1214 CG PHE A 80 0.304 7.242 3.739 1.00 0.00 C ATOM 1215 CD1 PHE A 80 0.658 5.922 3.410 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.260 8.085 4.335 1.00 0.00 C ATOM 1217 CE1 PHE A 80 1.947 5.450 3.692 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.516 7.576 4.710 1.00 0.00 C ATOM 1219 CZ PHE A 80 2.867 6.258 4.378 1.00 0.00 C ATOM 0 H PHE A 80 -2.557 5.493 3.130 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.152 7.606 5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.200 7.538 2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.009 8.880 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.064 5.271 2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.028 9.126 4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.235 4.457 3.379 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.211 8.199 5.254 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.837 5.869 4.648 1.00 0.00 H new ATOM 1229 N LYS A 81 -3.798 9.148 3.865 1.00 0.00 N ATOM 1230 CA LYS A 81 -4.857 9.983 3.320 1.00 0.00 C ATOM 1231 C LYS A 81 -4.606 11.383 3.863 1.00 0.00 C ATOM 1232 O LYS A 81 -3.817 11.545 4.794 1.00 0.00 O ATOM 1233 CB LYS A 81 -6.282 9.498 3.668 1.00 0.00 C ATOM 1234 CG LYS A 81 -6.814 9.781 5.081 1.00 0.00 C ATOM 1235 CD LYS A 81 -6.234 8.853 6.153 1.00 0.00 C ATOM 1236 CE LYS A 81 -6.589 7.367 5.965 1.00 0.00 C ATOM 1237 NZ LYS A 81 -8.040 7.143 5.831 1.00 0.00 N ATOM 0 H LYS A 81 -3.248 9.639 4.570 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.824 9.947 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.972 9.949 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.317 8.420 3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.587 10.814 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.900 9.684 5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.149 8.957 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.591 9.179 7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.083 6.986 5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.214 6.797 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.233 6.121 5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.534 7.571 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.378 7.578 4.949 1.00 0.00 H new ATOM 1251 N GLY A 82 -5.288 12.394 3.321 1.00 0.00 N ATOM 1252 CA GLY A 82 -5.162 13.756 3.816 1.00 0.00 C ATOM 1253 C GLY A 82 -3.700 14.200 3.913 1.00 0.00 C ATOM 1254 O GLY A 82 -3.327 14.940 4.819 1.00 0.00 O ATOM 0 H GLY A 82 -5.933 12.289 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.703 14.433 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.629 13.829 4.798 1.00 0.00 H new ATOM 1258 N GLY A 83 -2.863 13.725 2.988 1.00 0.00 N ATOM 1259 CA GLY A 83 -1.452 14.054 2.944 1.00 0.00 C ATOM 1260 C GLY A 83 -0.596 13.437 4.061 1.00 0.00 C ATOM 1261 O GLY A 83 0.566 13.827 4.178 1.00 0.00 O ATOM 0 H GLY A 83 -3.158 13.094 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.051 13.732 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.348 15.138 2.986 1.00 0.00 H new ATOM 1265 N LYS A 84 -1.110 12.500 4.874 1.00 0.00 N ATOM 1266 CA LYS A 84 -0.335 11.887 5.955 1.00 0.00 C ATOM 1267 C LYS A 84 -0.732 10.430 6.218 1.00 0.00 C ATOM 1268 O LYS A 84 -1.717 9.917 5.693 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.491 12.702 7.254 1.00 0.00 C ATOM 1270 CG LYS A 84 0.302 14.016 7.296 1.00 0.00 C ATOM 1271 CD LYS A 84 1.823 13.785 7.246 1.00 0.00 C ATOM 1272 CE LYS A 84 2.559 15.111 7.463 1.00 0.00 C ATOM 1273 NZ LYS A 84 4.020 14.929 7.408 1.00 0.00 N ATOM 0 H LYS A 84 -2.066 12.151 4.799 1.00 0.00 H new ATOM 0 HA LYS A 84 0.706 11.891 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.547 12.928 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.180 12.081 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.005 14.644 6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.050 14.561 8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.116 13.067 8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.103 13.357 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.251 15.829 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.279 15.531 8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.490 15.845 7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.315 14.262 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.288 14.551 6.477 1.00 0.00 H new ATOM 1287 N LYS A 85 0.102 9.776 7.032 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.005 8.400 7.502 1.00 0.00 C ATOM 1289 C LYS A 85 -1.206 8.259 8.437 1.00 0.00 C ATOM 1290 O LYS A 85 -1.541 9.208 9.145 1.00 0.00 O ATOM 1291 CB LYS A 85 1.307 8.076 8.247 1.00 0.00 C ATOM 1292 CG LYS A 85 1.307 6.810 9.115 1.00 0.00 C ATOM 1293 CD LYS A 85 1.224 5.527 8.282 1.00 0.00 C ATOM 1294 CE LYS A 85 0.867 4.330 9.171 1.00 0.00 C ATOM 1295 NZ LYS A 85 1.878 4.095 10.216 1.00 0.00 N ATOM 0 H LYS A 85 0.933 10.235 7.406 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.153 7.710 6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.104 7.984 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.557 8.925 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.213 6.788 9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.464 6.846 9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.474 5.643 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.177 5.347 7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.103 4.502 9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.770 3.437 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.641 3.228 10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.814 3.989 9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.893 4.902 10.872 1.00 0.00 H new ATOM 1309 N CYS A 86 -1.837 7.078 8.471 1.00 0.00 N ATOM 1310 CA CYS A 86 -2.958 6.801 9.362 1.00 0.00 C ATOM 1311 C CYS A 86 -3.023 5.317 9.742 1.00 0.00 C ATOM 1312 O CYS A 86 -2.586 4.957 10.832 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.269 7.265 8.716 1.00 0.00 C ATOM 1314 SG CYS A 86 -4.708 8.926 9.284 1.00 0.00 S ATOM 0 H CYS A 86 -1.579 6.289 7.878 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.806 7.360 10.285 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.167 7.261 7.631 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.069 6.567 8.963 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.627 9.632 9.436 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.565 4.448 8.876 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.803 3.045 9.219 1.00 0.00 C ATOM 1322 C GLU A 87 -2.598 2.167 8.861 1.00 0.00 C ATOM 1323 O GLU A 87 -1.639 2.636 8.247 1.00 0.00 O ATOM 1324 CB GLU A 87 -5.087 2.527 8.540 1.00 0.00 C ATOM 1325 CG GLU A 87 -6.122 3.605 8.168 1.00 0.00 C ATOM 1326 CD GLU A 87 -6.734 4.327 9.367 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -6.501 3.868 10.506 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -7.436 5.329 9.112 1.00 0.00 O ATOM 0 H GLU A 87 -3.847 4.698 7.928 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.941 2.986 10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.807 1.990 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.563 1.805 9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.646 4.341 7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.922 3.141 7.591 1.00 0.00 H new ATOM 1335 N THR A 88 -2.668 0.881 9.219 1.00 0.00 N ATOM 1336 CA THR A 88 -1.583 -0.080 9.058 1.00 0.00 C ATOM 1337 C THR A 88 -2.120 -1.477 8.672 1.00 0.00 C ATOM 1338 O THR A 88 -2.802 -2.081 9.497 1.00 0.00 O ATOM 1339 CB THR A 88 -0.891 -0.197 10.427 1.00 0.00 C ATOM 1340 OG1 THR A 88 -1.863 -0.415 11.432 1.00 0.00 O ATOM 1341 CG2 THR A 88 -0.098 1.063 10.791 1.00 0.00 C ATOM 0 H THR A 88 -3.504 0.474 9.639 1.00 0.00 H new ATOM 0 HA THR A 88 -0.909 0.257 8.270 1.00 0.00 H new ATOM 0 HB THR A 88 -0.195 -1.033 10.362 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.515 -1.076 11.118 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.371 0.929 11.766 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.672 1.238 10.039 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.772 1.919 10.827 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.808 -2.018 7.485 1.00 0.00 N ATOM 1350 CA ILE A 89 -2.187 -3.364 7.037 1.00 0.00 C ATOM 1351 C ILE A 89 -0.966 -4.267 6.741 1.00 0.00 C ATOM 1352 O ILE A 89 -0.112 -3.942 5.925 1.00 0.00 O ATOM 1353 CB ILE A 89 -3.053 -3.180 5.787 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -4.448 -2.710 6.252 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.187 -4.480 4.986 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -5.211 -1.932 5.184 1.00 0.00 C ATOM 0 H ILE A 89 -1.265 -1.511 6.786 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.731 -3.876 7.830 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.583 -2.447 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.036 -3.579 6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.336 -2.084 7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.809 -4.304 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.199 -4.816 4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.648 -5.246 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.182 -1.632 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.643 -1.045 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.354 -2.563 4.307 1.00 0.00 H new ATOM 1368 N ILE A 90 -0.841 -5.426 7.392 1.00 0.00 N ATOM 1369 CA ILE A 90 0.227 -6.385 7.076 1.00 0.00 C ATOM 1370 C ILE A 90 -0.282 -7.224 5.892 1.00 0.00 C ATOM 1371 O ILE A 90 -1.491 -7.307 5.681 1.00 0.00 O ATOM 1372 CB ILE A 90 0.525 -7.253 8.322 1.00 0.00 C ATOM 1373 CG1 ILE A 90 0.953 -6.362 9.507 1.00 0.00 C ATOM 1374 CG2 ILE A 90 1.636 -8.275 8.028 1.00 0.00 C ATOM 1375 CD1 ILE A 90 1.045 -7.119 10.836 1.00 0.00 C ATOM 0 H ILE A 90 -1.465 -5.726 8.141 1.00 0.00 H new ATOM 0 HA ILE A 90 1.162 -5.894 6.806 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.388 -7.789 8.580 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.922 -5.915 9.284 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.241 -5.544 9.612 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.826 -8.872 8.920 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.323 -8.928 7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.547 -7.750 7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.351 -6.432 11.625 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.071 -7.543 11.081 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.778 -7.921 10.748 1.00 0.00 H new ATOM 1387 N GLY A 91 0.619 -7.814 5.099 1.00 0.00 N ATOM 1388 CA GLY A 91 0.230 -8.710 4.014 1.00 0.00 C ATOM 1389 C GLY A 91 -0.196 -10.065 4.591 1.00 0.00 C ATOM 1390 O GLY A 91 -0.578 -10.151 5.755 1.00 0.00 O ATOM 0 H GLY A 91 1.626 -7.684 5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.590 -8.272 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.063 -8.843 3.323 1.00 0.00 H new ATOM 1394 N ALA A 92 -0.164 -11.137 3.790 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.510 -12.504 4.200 1.00 0.00 C ATOM 1396 C ALA A 92 -1.982 -12.716 4.620 1.00 0.00 C ATOM 1397 O ALA A 92 -2.437 -13.858 4.633 1.00 0.00 O ATOM 1398 CB ALA A 92 0.450 -12.974 5.302 1.00 0.00 C ATOM 0 H ALA A 92 0.111 -11.076 2.810 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.395 -13.117 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.189 -13.989 5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.472 -12.959 4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.371 -12.309 6.162 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.753 -11.664 4.915 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.159 -11.789 5.304 1.00 0.00 C ATOM 1406 C VAL A 93 -5.000 -12.041 4.049 1.00 0.00 C ATOM 1407 O VAL A 93 -4.626 -11.578 2.969 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.716 -10.486 5.926 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -5.359 -10.712 7.287 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.723 -9.325 6.037 1.00 0.00 C ATOM 0 H VAL A 93 -2.418 -10.701 4.890 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.213 -12.600 6.030 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.471 -10.187 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.732 -9.764 7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.187 -11.414 7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.619 -11.120 7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.218 -8.464 6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.881 -9.625 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.362 -9.059 5.044 1.00 0.00 H new ATOM 1420 N PRO A 94 -6.159 -12.712 4.159 1.00 0.00 N ATOM 1421 CA PRO A 94 -7.072 -12.812 3.050 1.00 0.00 C ATOM 1422 C PRO A 94 -7.647 -11.413 2.880 1.00 0.00 C ATOM 1423 O PRO A 94 -8.094 -10.786 3.844 1.00 0.00 O ATOM 1424 CB PRO A 94 -8.147 -13.827 3.419 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.632 -14.453 4.723 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.748 -13.353 5.313 1.00 0.00 C ATOM 0 HA PRO A 94 -6.609 -13.145 2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.116 -13.349 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.273 -14.577 2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.450 -14.716 5.394 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.067 -15.366 4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.332 -12.648 5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.984 -13.767 5.972 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.646 -10.934 1.648 1.00 0.00 N ATOM 1435 CA LYS A 95 -7.956 -9.551 1.353 1.00 0.00 C ATOM 1436 C LYS A 95 -9.331 -9.111 1.840 1.00 0.00 C ATOM 1437 O LYS A 95 -9.495 -7.940 2.154 1.00 0.00 O ATOM 1438 CB LYS A 95 -7.815 -9.303 -0.151 1.00 0.00 C ATOM 1439 CG LYS A 95 -6.385 -8.902 -0.532 1.00 0.00 C ATOM 1440 CD LYS A 95 -6.084 -7.454 -0.118 1.00 0.00 C ATOM 1441 CE LYS A 95 -4.752 -6.972 -0.696 1.00 0.00 C ATOM 1442 NZ LYS A 95 -3.616 -7.693 -0.101 1.00 0.00 N ATOM 0 H LYS A 95 -7.430 -11.496 0.825 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.239 -8.944 1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.097 -10.204 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.506 -8.517 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.676 -9.575 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.249 -9.011 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.888 -6.802 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.057 -7.383 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.750 -7.115 -1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.641 -5.903 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.730 -7.367 -0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.585 -7.509 0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.728 -8.714 -0.266 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.314 -10.009 1.924 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.626 -9.677 2.480 1.00 0.00 C ATOM 1458 C ALA A 96 -11.471 -8.938 3.821 1.00 0.00 C ATOM 1459 O ALA A 96 -12.208 -7.996 4.120 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.435 -10.963 2.669 1.00 0.00 C ATOM 0 H ALA A 96 -10.225 -10.976 1.612 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.153 -9.018 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.413 -10.720 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -12.561 -11.458 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.907 -11.628 3.352 1.00 0.00 H new ATOM 1466 N THR A 97 -10.494 -9.366 4.624 1.00 0.00 N ATOM 1467 CA THR A 97 -10.155 -8.766 5.905 1.00 0.00 C ATOM 1468 C THR A 97 -9.757 -7.302 5.683 1.00 0.00 C ATOM 1469 O THR A 97 -10.289 -6.387 6.311 1.00 0.00 O ATOM 1470 CB THR A 97 -8.997 -9.575 6.523 1.00 0.00 C ATOM 1471 OG1 THR A 97 -9.228 -10.953 6.320 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.846 -9.338 8.025 1.00 0.00 C ATOM 0 H THR A 97 -9.903 -10.163 4.389 1.00 0.00 H new ATOM 0 HA THR A 97 -11.005 -8.785 6.588 1.00 0.00 H new ATOM 0 HB THR A 97 -8.082 -9.243 6.032 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.814 -11.233 5.477 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.016 -9.933 8.406 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.650 -8.282 8.209 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.765 -9.630 8.534 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.822 -7.094 4.756 1.00 0.00 N ATOM 1481 CA ILE A 98 -8.270 -5.799 4.394 1.00 0.00 C ATOM 1482 C ILE A 98 -9.370 -4.877 3.868 1.00 0.00 C ATOM 1483 O ILE A 98 -9.476 -3.737 4.315 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.120 -6.032 3.391 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.915 -6.538 4.205 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.796 -4.743 2.618 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.722 -7.015 3.369 1.00 0.00 C ATOM 0 H ILE A 98 -8.415 -7.859 4.217 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.857 -5.287 5.263 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.397 -6.769 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.580 -5.738 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.245 -7.359 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.983 -4.933 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.679 -4.417 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.496 -3.964 3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.925 -7.352 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.033 -7.840 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.358 -6.193 2.752 1.00 0.00 H new ATOM 1499 N VAL A 99 -10.185 -5.367 2.932 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.291 -4.625 2.349 1.00 0.00 C ATOM 1501 C VAL A 99 -12.161 -4.079 3.482 1.00 0.00 C ATOM 1502 O VAL A 99 -12.362 -2.872 3.571 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.070 -5.538 1.383 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.393 -4.905 0.937 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.228 -5.820 0.130 1.00 0.00 C ATOM 0 H VAL A 99 -10.088 -6.310 2.554 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.934 -3.777 1.764 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.284 -6.461 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.909 -5.582 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.020 -4.719 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.192 -3.963 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -11.787 -6.466 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.998 -4.881 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.300 -6.314 0.419 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.638 -4.947 4.377 1.00 0.00 N ATOM 1516 CA GLN A 100 -13.453 -4.503 5.502 1.00 0.00 C ATOM 1517 C GLN A 100 -12.695 -3.476 6.353 1.00 0.00 C ATOM 1518 O GLN A 100 -13.216 -2.398 6.645 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.853 -5.720 6.341 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.894 -6.566 5.599 1.00 0.00 C ATOM 1521 CD GLN A 100 -15.073 -7.923 6.266 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -16.052 -8.167 6.961 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -14.115 -8.818 6.054 1.00 0.00 N ATOM 0 H GLN A 100 -12.474 -5.953 4.343 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.352 -4.015 5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.972 -6.325 6.558 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.258 -5.392 7.298 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.848 -6.039 5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.584 -6.704 4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.314 -8.579 5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.180 -9.744 6.476 1.00 0.00 H new ATOM 1532 N THR A 101 -11.456 -3.807 6.730 1.00 0.00 N ATOM 1533 CA THR A 101 -10.631 -2.962 7.586 1.00 0.00 C ATOM 1534 C THR A 101 -10.473 -1.556 7.004 1.00 0.00 C ATOM 1535 O THR A 101 -10.510 -0.587 7.756 1.00 0.00 O ATOM 1536 CB THR A 101 -9.261 -3.621 7.816 1.00 0.00 C ATOM 1537 OG1 THR A 101 -9.441 -4.884 8.423 1.00 0.00 O ATOM 1538 CG2 THR A 101 -8.371 -2.793 8.749 1.00 0.00 C ATOM 0 H THR A 101 -10.999 -4.674 6.446 1.00 0.00 H new ATOM 0 HA THR A 101 -11.135 -2.858 8.547 1.00 0.00 H new ATOM 0 HB THR A 101 -8.781 -3.703 6.841 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.799 -5.515 7.764 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.414 -3.298 8.882 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.204 -1.808 8.313 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.861 -2.683 9.717 1.00 0.00 H new ATOM 1546 N VAL A 102 -10.275 -1.420 5.690 1.00 0.00 N ATOM 1547 CA VAL A 102 -10.088 -0.104 5.092 1.00 0.00 C ATOM 1548 C VAL A 102 -11.432 0.583 4.882 1.00 0.00 C ATOM 1549 O VAL A 102 -11.585 1.755 5.216 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.254 -0.228 3.810 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -10.035 -0.590 2.543 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.460 1.066 3.579 1.00 0.00 C ATOM 0 H VAL A 102 -10.241 -2.197 5.030 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.526 0.538 5.770 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.592 -1.076 3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.349 -0.651 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.527 -1.553 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.785 0.176 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.870 0.973 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.150 1.904 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.796 1.241 4.425 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.411 -0.153 4.352 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.751 0.359 4.095 1.00 0.00 C ATOM 1564 C GLU A 103 -14.361 0.962 5.359 1.00 0.00 C ATOM 1565 O GLU A 103 -15.097 1.939 5.275 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.635 -0.748 3.523 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.337 -0.944 2.027 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.243 -1.979 1.369 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -15.825 -2.801 2.111 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.329 -1.929 0.122 1.00 0.00 O ATOM 0 H GLU A 103 -12.291 -1.131 4.088 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.682 1.158 3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.459 -1.679 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.686 -0.493 3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.450 0.010 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.298 -1.250 1.906 1.00 0.00 H new ATOM 1577 N LYS A 104 -14.062 0.381 6.522 1.00 0.00 N ATOM 1578 CA LYS A 104 -14.424 0.957 7.813 1.00 0.00 C ATOM 1579 C LYS A 104 -14.102 2.456 7.812 1.00 0.00 C ATOM 1580 O LYS A 104 -14.935 3.292 8.160 1.00 0.00 O ATOM 1581 CB LYS A 104 -13.590 0.264 8.899 1.00 0.00 C ATOM 1582 CG LYS A 104 -13.694 0.896 10.296 1.00 0.00 C ATOM 1583 CD LYS A 104 -12.456 0.490 11.103 1.00 0.00 C ATOM 1584 CE LYS A 104 -12.571 0.873 12.583 1.00 0.00 C ATOM 1585 NZ LYS A 104 -12.757 2.323 12.764 1.00 0.00 N ATOM 0 H LYS A 104 -13.561 -0.504 6.593 1.00 0.00 H new ATOM 0 HA LYS A 104 -15.488 0.817 8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.899 -0.779 8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.544 0.268 8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.757 1.981 10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.601 0.560 10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.309 -0.587 11.020 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.574 0.967 10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.410 0.341 13.031 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.672 0.554 13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.762 2.548 13.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.979 2.833 12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.662 2.612 12.341 1.00 0.00 H new ATOM 1599 N TYR A 105 -12.872 2.795 7.426 1.00 0.00 N ATOM 1600 CA TYR A 105 -12.367 4.153 7.422 1.00 0.00 C ATOM 1601 C TYR A 105 -12.827 4.905 6.166 1.00 0.00 C ATOM 1602 O TYR A 105 -12.018 5.533 5.485 1.00 0.00 O ATOM 1603 CB TYR A 105 -10.837 4.097 7.532 1.00 0.00 C ATOM 1604 CG TYR A 105 -10.289 3.363 8.742 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -10.456 3.907 10.028 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -9.491 2.218 8.570 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -9.839 3.299 11.135 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -8.884 1.602 9.677 1.00 0.00 C ATOM 1609 CZ TYR A 105 -9.056 2.146 10.961 1.00 0.00 C ATOM 1610 OH TYR A 105 -8.517 1.528 12.049 1.00 0.00 O ATOM 0 H TYR A 105 -12.189 2.111 7.101 1.00 0.00 H new ATOM 0 HA TYR A 105 -12.765 4.706 8.273 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.444 3.622 6.633 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.455 5.118 7.546 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -11.059 4.793 10.165 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.344 1.810 7.581 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -9.967 3.719 12.122 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.287 0.713 9.541 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.004 0.745 11.760 1.00 0.00 H new ATOM 1620 N LEU A 106 -14.130 4.858 5.879 1.00 0.00 N ATOM 1621 CA LEU A 106 -14.791 5.553 4.788 1.00 0.00 C ATOM 1622 C LEU A 106 -16.253 5.702 5.188 1.00 0.00 C ATOM 1623 O LEU A 106 -17.038 4.758 5.135 1.00 0.00 O ATOM 1624 CB LEU A 106 -14.687 4.814 3.447 1.00 0.00 C ATOM 1625 CG LEU A 106 -13.407 5.066 2.636 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -13.644 4.483 1.240 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -13.067 6.555 2.476 1.00 0.00 C ATOM 0 H LEU A 106 -14.781 4.303 6.435 1.00 0.00 H new ATOM 0 HA LEU A 106 -14.303 6.515 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -14.768 3.744 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -15.543 5.094 2.833 1.00 0.00 H new ATOM 0 HG LEU A 106 -12.574 4.604 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -12.758 4.639 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.846 3.415 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -14.498 4.979 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.152 6.659 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.884 7.062 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.924 7.003 3.459 1.00 0.00 H new ATOM 1639 N ASN A 107 -16.585 6.910 5.612 1.00 0.00 N ATOM 1640 CA ASN A 107 -17.886 7.383 6.045 1.00 0.00 C ATOM 1641 C ASN A 107 -17.759 8.908 6.033 1.00 0.00 C ATOM 1642 O ASN A 107 -16.600 9.363 5.888 1.00 0.00 O ATOM 1643 CB ASN A 107 -18.213 6.846 7.449 1.00 0.00 C ATOM 1644 CG ASN A 107 -19.703 6.883 7.797 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -20.242 5.909 8.315 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -20.398 7.984 7.542 1.00 0.00 N ATOM 1647 OXT ASN A 107 -18.802 9.583 6.171 1.00 0.00 O ATOM 0 H ASN A 107 -15.886 7.650 5.666 1.00 0.00 H new ATOM 0 HA ASN A 107 -18.699 7.043 5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -17.858 5.818 7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -17.663 7.430 8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -21.390 8.027 7.777 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -19.941 8.788 7.111 1.00 0.00 H new TER 1654 ASN A 107