USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 637 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 77 ASN : amide:sc= 0.352 K(o=2.3,f=-2.2!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -131:sc= 1.91 (180deg=1.12) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -2.66 K(o=-1.4,f=-2.4!) USER MOD Set 2.2: A 47 SER OG : rot -99:sc= 1.25 USER MOD Set 3.1: A 32 GLN : amide:sc= 0.679 K(o=0.79,f=-0.061) USER MOD Set 3.2: A 53 TYR OH : rot -12:sc= 0.114 USER MOD Set 4.1: A 10 TYR OH : rot 15:sc= 1.26 USER MOD Set 4.2: A 38 HIS : no HE2:sc= -0.897 K(o=0.37,f=-11!) USER MOD Single : A 1 MET CE :methyl -140:sc= -0.991 (180deg=-1.22) USER MOD Single : A 1 MET N :NH3+ -148:sc= 1.7 (180deg=0.321) USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= 2.17 (180deg=2.04) USER MOD Single : A 5 ASN : amide:sc= 0.303 X(o=0.3,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0618 USER MOD Single : A 8 SER OG : rot -22:sc= 0.186 USER MOD Single : A 11 THR OG1 : rot -78:sc= 0.343 USER MOD Single : A 13 THR OG1 : rot -58:sc= 1.29 USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= 2.22 (180deg=1.6) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 2.26 (180deg=2.11) USER MOD Single : A 24 ASN : amide:sc= 1.24 K(o=1.2,f=-0.0028) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -145:sc= 1.79 (180deg=-0.758!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 1.37! (180deg=1.37!) USER MOD Single : A 35 ASN : amide:sc= -6.26! C(o=-6.3!,f=-7.1!) USER MOD Single : A 41 SER OG : rot 115:sc= 1.28 USER MOD Single : A 43 THR OG1 : rot 156:sc= 1.29 USER MOD Single : A 49 SER OG : rot 180:sc= -0.543 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.214 K(o=-0.21,f=-5.5!) USER MOD Single : A 62 SER OG : rot -133:sc= 1.53 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 1.05 (180deg=0.902) USER MOD Single : A 71 LYS NZ :NH3+ -119:sc= 0.674 (180deg=-2.31!) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0787 USER MOD Single : A 83 LYS NZ :NH3+ 168:sc= 0.513 (180deg=-0.177) USER MOD Single : A 84 GLN : amide:sc= 0.839 K(o=0.84,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.093 0.870 4.116 1.00 0.00 N ATOM 2 CA MET A 1 12.072 1.280 3.090 1.00 0.00 C ATOM 3 C MET A 1 11.977 2.780 2.805 1.00 0.00 C ATOM 4 O MET A 1 10.883 3.338 2.774 1.00 0.00 O ATOM 5 CB MET A 1 11.885 0.468 1.797 1.00 0.00 C ATOM 6 CG MET A 1 13.215 0.030 1.164 1.00 0.00 C ATOM 7 SD MET A 1 14.339 1.333 0.577 1.00 0.00 S ATOM 8 CE MET A 1 15.600 1.308 1.889 1.00 0.00 C ATOM 0 H1 MET A 1 11.482 0.082 4.672 1.00 0.00 H new ATOM 0 H2 MET A 1 10.894 1.673 4.746 1.00 0.00 H new ATOM 0 H3 MET A 1 10.212 0.566 3.654 1.00 0.00 H new ATOM 0 HA MET A 1 13.069 1.074 3.481 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.284 -0.415 2.013 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.326 1.066 1.077 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.753 -0.573 1.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.987 -0.622 0.321 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.900 2.329 2.125 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.188 0.836 2.781 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.469 0.744 1.548 1.00 0.00 H new ATOM 18 N GLU A 2 13.103 3.444 2.524 1.00 0.00 N ATOM 19 CA GLU A 2 13.252 4.890 2.302 1.00 0.00 C ATOM 20 C GLU A 2 12.818 5.355 0.902 1.00 0.00 C ATOM 21 O GLU A 2 13.405 6.246 0.284 1.00 0.00 O ATOM 22 CB GLU A 2 14.716 5.293 2.585 1.00 0.00 C ATOM 23 CG GLU A 2 15.237 4.936 3.986 1.00 0.00 C ATOM 24 CD GLU A 2 16.750 5.173 4.074 1.00 0.00 C ATOM 25 OE1 GLU A 2 17.494 4.266 3.635 1.00 0.00 O ATOM 26 OE2 GLU A 2 17.150 6.253 4.565 1.00 0.00 O ATOM 0 H GLU A 2 13.994 2.955 2.440 1.00 0.00 H new ATOM 0 HA GLU A 2 12.576 5.393 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.357 4.814 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.813 6.369 2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.724 5.539 4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.013 3.893 4.209 1.00 0.00 H new ATOM 33 N LEU A 3 11.784 4.710 0.381 1.00 0.00 N ATOM 34 CA LEU A 3 11.187 4.904 -0.907 1.00 0.00 C ATOM 35 C LEU A 3 10.498 6.280 -1.019 1.00 0.00 C ATOM 36 O LEU A 3 10.526 7.077 -0.077 1.00 0.00 O ATOM 37 CB LEU A 3 10.290 3.705 -1.282 1.00 0.00 C ATOM 38 CG LEU A 3 11.061 2.425 -1.653 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.090 1.240 -1.709 1.00 0.00 C ATOM 40 CD2 LEU A 3 11.772 2.552 -3.008 1.00 0.00 C ATOM 0 H LEU A 3 11.309 3.975 0.906 1.00 0.00 H new ATOM 0 HA LEU A 3 11.975 4.930 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.628 3.486 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.657 3.989 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 3 11.820 2.266 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.636 0.334 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.618 1.110 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.324 1.432 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.303 1.626 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.036 2.743 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.483 3.377 -2.970 1.00 0.00 H new ATOM 52 N LYS A 4 9.866 6.560 -2.174 1.00 0.00 N ATOM 53 CA LYS A 4 9.123 7.794 -2.489 1.00 0.00 C ATOM 54 C LYS A 4 8.404 8.292 -1.256 1.00 0.00 C ATOM 55 O LYS A 4 7.553 7.602 -0.712 1.00 0.00 O ATOM 56 CB LYS A 4 8.113 7.608 -3.624 1.00 0.00 C ATOM 57 CG LYS A 4 8.558 6.878 -4.898 1.00 0.00 C ATOM 58 CD LYS A 4 7.299 6.330 -5.588 1.00 0.00 C ATOM 59 CE LYS A 4 7.503 6.074 -7.076 1.00 0.00 C ATOM 60 NZ LYS A 4 7.137 7.239 -7.905 1.00 0.00 N ATOM 0 H LYS A 4 9.859 5.899 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 4 9.858 8.526 -2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.256 7.071 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.760 8.597 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.092 7.558 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.244 6.067 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.000 5.401 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.481 7.038 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.546 5.816 -7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.905 5.214 -7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.130 6.963 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.192 7.576 -7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.831 8.000 -7.760 1.00 0.00 H new ATOM 74 N ASN A 5 8.776 9.486 -0.806 1.00 0.00 N ATOM 75 CA ASN A 5 8.486 9.915 0.551 1.00 0.00 C ATOM 76 C ASN A 5 7.012 10.283 0.703 1.00 0.00 C ATOM 77 O ASN A 5 6.613 10.732 1.776 1.00 0.00 O ATOM 78 CB ASN A 5 9.384 11.095 0.969 1.00 0.00 C ATOM 79 CG ASN A 5 10.894 10.887 0.841 1.00 0.00 C ATOM 80 OD1 ASN A 5 11.621 11.862 0.713 1.00 0.00 O ATOM 81 ND2 ASN A 5 11.412 9.666 0.833 1.00 0.00 N ATOM 0 H ASN A 5 9.280 10.173 -1.366 1.00 0.00 H new ATOM 0 HA ASN A 5 8.701 9.077 1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.108 11.962 0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.161 11.341 2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.418 9.539 0.720 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.805 8.854 0.940 1.00 0.00 H new ATOM 88 N SER A 6 6.182 10.178 -0.344 1.00 0.00 N ATOM 89 CA SER A 6 4.754 10.318 -0.177 1.00 0.00 C ATOM 90 C SER A 6 3.967 9.527 -1.208 1.00 0.00 C ATOM 91 O SER A 6 4.410 9.359 -2.346 1.00 0.00 O ATOM 92 CB SER A 6 4.397 11.777 -0.361 1.00 0.00 C ATOM 93 OG SER A 6 5.145 12.660 0.452 1.00 0.00 O ATOM 0 H SER A 6 6.484 9.998 -1.301 1.00 0.00 H new ATOM 0 HA SER A 6 4.500 9.943 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.546 12.048 -1.406 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.337 11.911 -0.145 1.00 0.00 H new ATOM 0 HG SER A 6 4.863 13.582 0.279 1.00 0.00 H new ATOM 99 N ILE A 7 2.722 9.204 -0.850 1.00 0.00 N ATOM 100 CA ILE A 7 1.723 8.597 -1.715 1.00 0.00 C ATOM 101 C ILE A 7 1.550 9.396 -3.004 1.00 0.00 C ATOM 102 O ILE A 7 1.423 8.804 -4.063 1.00 0.00 O ATOM 103 CB ILE A 7 0.406 8.447 -0.915 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.243 7.028 -0.363 1.00 0.00 C ATOM 105 CG2 ILE A 7 -0.884 8.837 -1.638 1.00 0.00 C ATOM 106 CD1 ILE A 7 -0.056 5.909 -1.349 1.00 0.00 C ATOM 0 H ILE A 7 2.373 9.368 0.094 1.00 0.00 H new ATOM 0 HA ILE A 7 2.049 7.605 -2.029 1.00 0.00 H new ATOM 0 HB ILE A 7 0.532 9.177 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.159 6.769 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.559 7.047 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.734 8.687 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.834 9.886 -1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.005 8.217 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.144 4.965 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.992 6.121 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.753 5.839 -2.076 1.00 0.00 H new ATOM 118 N SER A 8 1.564 10.728 -2.965 1.00 0.00 N ATOM 119 CA SER A 8 1.318 11.492 -4.184 1.00 0.00 C ATOM 120 C SER A 8 2.523 11.472 -5.133 1.00 0.00 C ATOM 121 O SER A 8 2.376 11.941 -6.270 1.00 0.00 O ATOM 122 CB SER A 8 0.896 12.916 -3.803 1.00 0.00 C ATOM 123 OG SER A 8 0.408 13.636 -4.915 1.00 0.00 O ATOM 0 H SER A 8 1.738 11.286 -2.129 1.00 0.00 H new ATOM 0 HA SER A 8 0.506 11.023 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.126 12.873 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.747 13.444 -3.374 1.00 0.00 H new ATOM 0 HG SER A 8 0.751 13.235 -5.741 1.00 0.00 H new ATOM 129 N ASP A 9 3.691 10.947 -4.726 1.00 0.00 N ATOM 130 CA ASP A 9 4.692 10.588 -5.723 1.00 0.00 C ATOM 131 C ASP A 9 4.497 9.164 -6.242 1.00 0.00 C ATOM 132 O ASP A 9 4.863 8.872 -7.385 1.00 0.00 O ATOM 133 CB ASP A 9 6.144 10.757 -5.284 1.00 0.00 C ATOM 134 CG ASP A 9 6.990 10.564 -6.562 1.00 0.00 C ATOM 135 OD1 ASP A 9 6.679 11.257 -7.565 1.00 0.00 O ATOM 136 OD2 ASP A 9 7.801 9.613 -6.610 1.00 0.00 O ATOM 0 H ASP A 9 3.951 10.771 -3.756 1.00 0.00 H new ATOM 0 HA ASP A 9 4.519 11.312 -6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.310 11.743 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.411 10.024 -4.523 1.00 0.00 H new ATOM 141 N TYR A 10 3.869 8.281 -5.467 1.00 0.00 N ATOM 142 CA TYR A 10 3.392 7.035 -6.010 1.00 0.00 C ATOM 143 C TYR A 10 2.326 7.355 -7.063 1.00 0.00 C ATOM 144 O TYR A 10 1.744 8.441 -7.124 1.00 0.00 O ATOM 145 CB TYR A 10 2.880 6.131 -4.875 1.00 0.00 C ATOM 146 CG TYR A 10 3.965 5.362 -4.159 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.716 5.926 -3.108 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.219 4.045 -4.563 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.769 5.186 -2.543 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.243 3.293 -3.973 1.00 0.00 C ATOM 151 CZ TYR A 10 6.046 3.874 -2.980 1.00 0.00 C ATOM 152 OH TYR A 10 7.080 3.168 -2.462 1.00 0.00 O ATOM 0 H TYR A 10 3.686 8.414 -4.472 1.00 0.00 H new ATOM 0 HA TYR A 10 4.191 6.478 -6.500 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.346 6.745 -4.150 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.160 5.424 -5.286 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.485 6.915 -2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.616 3.602 -5.342 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.373 5.628 -1.765 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.413 2.272 -4.281 1.00 0.00 H new ATOM 0 HH TYR A 10 7.392 3.600 -1.639 1.00 0.00 H new ATOM 162 N THR A 11 2.070 6.373 -7.899 1.00 0.00 N ATOM 163 CA THR A 11 0.969 6.115 -8.774 1.00 0.00 C ATOM 164 C THR A 11 0.302 4.902 -8.156 1.00 0.00 C ATOM 165 O THR A 11 0.875 4.211 -7.303 1.00 0.00 O ATOM 166 CB THR A 11 1.503 5.759 -10.168 1.00 0.00 C ATOM 167 OG1 THR A 11 2.440 4.729 -10.050 1.00 0.00 O ATOM 168 CG2 THR A 11 2.238 6.903 -10.846 1.00 0.00 C ATOM 0 H THR A 11 2.752 5.619 -7.984 1.00 0.00 H new ATOM 0 HA THR A 11 0.294 6.963 -8.885 1.00 0.00 H new ATOM 0 HB THR A 11 0.629 5.490 -10.761 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.291 5.096 -9.732 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.588 6.580 -11.827 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.563 7.751 -10.962 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.091 7.199 -10.236 1.00 0.00 H new ATOM 176 N GLU A 12 -0.896 4.638 -8.635 1.00 0.00 N ATOM 177 CA GLU A 12 -1.579 3.415 -8.206 1.00 0.00 C ATOM 178 C GLU A 12 -0.759 2.164 -8.569 1.00 0.00 C ATOM 179 O GLU A 12 -0.716 1.208 -7.797 1.00 0.00 O ATOM 180 CB GLU A 12 -3.032 3.394 -8.703 1.00 0.00 C ATOM 181 CG GLU A 12 -3.225 3.089 -10.194 1.00 0.00 C ATOM 182 CD GLU A 12 -3.373 1.585 -10.476 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.380 0.983 -10.051 1.00 0.00 O ATOM 184 OE2 GLU A 12 -2.456 0.980 -11.075 1.00 0.00 O ATOM 0 H GLU A 12 -1.409 5.222 -9.296 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.646 3.404 -7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.583 2.651 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.483 4.363 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.110 3.612 -10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.374 3.478 -10.754 1.00 0.00 H new ATOM 191 N THR A 13 -0.046 2.180 -9.698 1.00 0.00 N ATOM 192 CA THR A 13 0.591 0.986 -10.236 1.00 0.00 C ATOM 193 C THR A 13 1.981 0.767 -9.613 1.00 0.00 C ATOM 194 O THR A 13 2.374 -0.374 -9.381 1.00 0.00 O ATOM 195 CB THR A 13 0.697 1.117 -11.769 1.00 0.00 C ATOM 196 OG1 THR A 13 -0.368 1.884 -12.302 1.00 0.00 O ATOM 197 CG2 THR A 13 0.696 -0.251 -12.454 1.00 0.00 C ATOM 0 H THR A 13 0.103 3.019 -10.259 1.00 0.00 H new ATOM 0 HA THR A 13 -0.018 0.117 -9.986 1.00 0.00 H new ATOM 0 HB THR A 13 1.643 1.621 -11.965 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.222 1.466 -12.066 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.772 -0.118 -13.533 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.545 -0.836 -12.100 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.230 -0.776 -12.218 1.00 0.00 H new ATOM 205 N GLU A 14 2.739 1.827 -9.294 1.00 0.00 N ATOM 206 CA GLU A 14 3.965 1.688 -8.516 1.00 0.00 C ATOM 207 C GLU A 14 3.634 1.133 -7.134 1.00 0.00 C ATOM 208 O GLU A 14 4.347 0.264 -6.626 1.00 0.00 O ATOM 209 CB GLU A 14 4.644 3.052 -8.374 1.00 0.00 C ATOM 210 CG GLU A 14 5.183 3.559 -9.719 1.00 0.00 C ATOM 211 CD GLU A 14 5.611 5.027 -9.623 1.00 0.00 C ATOM 212 OE1 GLU A 14 4.759 5.846 -9.207 1.00 0.00 O ATOM 213 OE2 GLU A 14 6.782 5.370 -9.897 1.00 0.00 O ATOM 0 H GLU A 14 2.519 2.785 -9.565 1.00 0.00 H new ATOM 0 HA GLU A 14 4.640 1.003 -9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.932 3.773 -7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.463 2.979 -7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.032 2.949 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.416 3.450 -10.486 1.00 0.00 H new ATOM 220 N PHE A 15 2.538 1.620 -6.536 1.00 0.00 N ATOM 221 CA PHE A 15 2.113 1.098 -5.254 1.00 0.00 C ATOM 222 C PHE A 15 1.726 -0.364 -5.412 1.00 0.00 C ATOM 223 O PHE A 15 2.165 -1.164 -4.608 1.00 0.00 O ATOM 224 CB PHE A 15 1.001 1.949 -4.638 1.00 0.00 C ATOM 225 CG PHE A 15 0.938 1.866 -3.122 1.00 0.00 C ATOM 226 CD1 PHE A 15 2.050 2.240 -2.343 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.253 1.493 -2.476 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.954 2.290 -0.945 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.358 1.578 -1.079 1.00 0.00 C ATOM 230 CZ PHE A 15 0.731 2.024 -0.316 1.00 0.00 C ATOM 0 H PHE A 15 1.948 2.359 -6.919 1.00 0.00 H new ATOM 0 HA PHE A 15 2.941 1.152 -4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.147 2.989 -4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.043 1.633 -5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.983 2.490 -2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.092 1.139 -3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.824 2.534 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.280 1.299 -0.590 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.627 2.162 0.750 1.00 0.00 H new ATOM 240 N LYS A 16 1.041 -0.763 -6.488 1.00 0.00 N ATOM 241 CA LYS A 16 0.831 -2.165 -6.822 1.00 0.00 C ATOM 242 C LYS A 16 2.149 -2.899 -6.744 1.00 0.00 C ATOM 243 O LYS A 16 2.162 -3.838 -5.982 1.00 0.00 O ATOM 244 CB LYS A 16 0.265 -2.237 -8.252 1.00 0.00 C ATOM 245 CG LYS A 16 -0.955 -3.128 -8.452 1.00 0.00 C ATOM 246 CD LYS A 16 -2.166 -2.407 -7.863 1.00 0.00 C ATOM 247 CE LYS A 16 -2.729 -1.235 -8.680 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.446 -1.606 -9.912 1.00 0.00 N ATOM 0 H LYS A 16 0.617 -0.115 -7.152 1.00 0.00 H new ATOM 0 HA LYS A 16 0.132 -2.628 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.006 -1.227 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.056 -2.586 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.110 -3.330 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.809 -4.091 -7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.962 -3.138 -7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.895 -2.035 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.406 -0.664 -8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.906 -0.572 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.100 -0.842 -10.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.761 -1.758 -10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.984 -2.481 -9.750 1.00 0.00 H new ATOM 262 N LYS A 17 3.256 -2.518 -7.398 1.00 0.00 N ATOM 263 CA LYS A 17 4.445 -3.335 -7.283 1.00 0.00 C ATOM 264 C LYS A 17 4.898 -3.515 -5.839 1.00 0.00 C ATOM 265 O LYS A 17 5.418 -4.588 -5.573 1.00 0.00 O ATOM 266 CB LYS A 17 5.570 -2.788 -8.160 1.00 0.00 C ATOM 267 CG LYS A 17 6.506 -3.932 -8.581 1.00 0.00 C ATOM 268 CD LYS A 17 7.953 -3.799 -8.083 1.00 0.00 C ATOM 269 CE LYS A 17 8.255 -4.201 -6.623 1.00 0.00 C ATOM 270 NZ LYS A 17 8.102 -5.643 -6.322 1.00 0.00 N ATOM 0 H LYS A 17 3.342 -1.687 -7.983 1.00 0.00 H new ATOM 0 HA LYS A 17 4.183 -4.329 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.152 -2.304 -9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.131 -2.029 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.095 -4.872 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.516 -3.993 -9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.587 -4.401 -8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.257 -2.761 -8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.276 -3.903 -6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.596 -3.637 -5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.209 -5.797 -5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.159 -5.962 -6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.830 -6.183 -6.832 1.00 0.00 H new ATOM 284 N ILE A 18 4.736 -2.535 -4.939 1.00 0.00 N ATOM 285 CA ILE A 18 5.023 -2.728 -3.507 1.00 0.00 C ATOM 286 C ILE A 18 4.034 -3.698 -2.860 1.00 0.00 C ATOM 287 O ILE A 18 4.408 -4.620 -2.149 1.00 0.00 O ATOM 288 CB ILE A 18 5.127 -1.375 -2.763 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.432 -1.485 -1.938 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.955 -0.865 -1.899 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.621 -0.417 -0.875 1.00 0.00 C ATOM 0 H ILE A 18 4.407 -1.599 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 18 6.003 -3.197 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 18 5.107 -0.603 -3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.456 -2.462 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.279 -1.447 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.218 0.098 -1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.067 -0.750 -2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.750 -1.582 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.564 -0.584 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.635 0.566 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.799 -0.465 -0.161 1.00 0.00 H new ATOM 303 N ILE A 19 2.759 -3.486 -3.125 1.00 0.00 N ATOM 304 CA ILE A 19 1.646 -4.217 -2.540 1.00 0.00 C ATOM 305 C ILE A 19 1.618 -5.683 -3.055 1.00 0.00 C ATOM 306 O ILE A 19 1.250 -6.628 -2.357 1.00 0.00 O ATOM 307 CB ILE A 19 0.377 -3.374 -2.835 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.321 -2.011 -2.106 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.947 -4.052 -2.534 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.665 -2.026 -0.620 1.00 0.00 C ATOM 0 H ILE A 19 2.455 -2.768 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 19 1.728 -4.337 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 19 0.491 -3.238 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.004 -1.326 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.683 -1.602 -2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.766 -3.375 -2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.036 -4.958 -3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.991 -4.311 -1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.591 -1.015 -0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.031 -2.677 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.681 -2.396 -0.486 1.00 0.00 H new ATOM 322 N GLU A 20 2.052 -5.910 -4.284 1.00 0.00 N ATOM 323 CA GLU A 20 2.260 -7.175 -4.926 1.00 0.00 C ATOM 324 C GLU A 20 3.542 -7.814 -4.415 1.00 0.00 C ATOM 325 O GLU A 20 3.559 -9.020 -4.199 1.00 0.00 O ATOM 326 CB GLU A 20 2.374 -6.858 -6.416 1.00 0.00 C ATOM 327 CG GLU A 20 1.906 -7.983 -7.317 1.00 0.00 C ATOM 328 CD GLU A 20 2.743 -8.069 -8.598 1.00 0.00 C ATOM 329 OE1 GLU A 20 2.785 -7.058 -9.338 1.00 0.00 O ATOM 330 OE2 GLU A 20 3.357 -9.140 -8.808 1.00 0.00 O ATOM 0 H GLU A 20 2.286 -5.135 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 20 1.450 -7.877 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.790 -5.964 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.413 -6.625 -6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.966 -8.929 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.858 -7.830 -7.576 1.00 0.00 H new ATOM 337 N ASP A 21 4.597 -7.013 -4.210 1.00 0.00 N ATOM 338 CA ASP A 21 5.906 -7.430 -3.674 1.00 0.00 C ATOM 339 C ASP A 21 5.696 -8.373 -2.508 1.00 0.00 C ATOM 340 O ASP A 21 6.189 -9.497 -2.491 1.00 0.00 O ATOM 341 CB ASP A 21 6.726 -6.238 -3.144 1.00 0.00 C ATOM 342 CG ASP A 21 8.178 -6.581 -2.943 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.535 -7.300 -1.990 1.00 0.00 O ATOM 344 OD2 ASP A 21 8.983 -6.088 -3.761 1.00 0.00 O ATOM 0 H ASP A 21 4.563 -6.016 -4.421 1.00 0.00 H new ATOM 0 HA ASP A 21 6.446 -7.904 -4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.646 -5.406 -3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.301 -5.901 -2.198 1.00 0.00 H new ATOM 349 N ILE A 22 4.898 -7.885 -1.568 1.00 0.00 N ATOM 350 CA ILE A 22 4.541 -8.527 -0.333 1.00 0.00 C ATOM 351 C ILE A 22 3.636 -9.725 -0.544 1.00 0.00 C ATOM 352 O ILE A 22 3.984 -10.814 -0.093 1.00 0.00 O ATOM 353 CB ILE A 22 3.924 -7.479 0.600 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.776 -6.616 0.070 1.00 0.00 C ATOM 355 CG2 ILE A 22 5.062 -6.537 1.014 1.00 0.00 C ATOM 356 CD1 ILE A 22 2.368 -5.386 0.878 1.00 0.00 C ATOM 0 H ILE A 22 4.460 -6.969 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 22 5.438 -8.934 0.133 1.00 0.00 H new ATOM 0 HB ILE A 22 3.463 -8.057 1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.045 -6.282 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.898 -7.254 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.673 -5.768 1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.837 -7.106 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.485 -6.066 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.544 -4.878 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.052 -5.694 1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.216 -4.707 0.960 1.00 0.00 H new ATOM 368 N ILE A 23 2.489 -9.514 -1.182 1.00 0.00 N ATOM 369 CA ILE A 23 1.500 -10.569 -1.441 1.00 0.00 C ATOM 370 C ILE A 23 2.140 -11.804 -2.114 1.00 0.00 C ATOM 371 O ILE A 23 1.796 -12.928 -1.751 1.00 0.00 O ATOM 372 CB ILE A 23 0.291 -9.984 -2.218 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.533 -9.064 -1.281 1.00 0.00 C ATOM 374 CG2 ILE A 23 -0.641 -11.074 -2.783 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.614 -8.236 -1.987 1.00 0.00 C ATOM 0 H ILE A 23 2.212 -8.600 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 23 1.115 -10.939 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 23 0.698 -9.424 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.007 -9.678 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.149 -8.385 -0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.468 -10.605 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.082 -11.711 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.033 -11.678 -1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.139 -7.623 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.149 -7.591 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.323 -8.904 -2.476 1.00 0.00 H new ATOM 387 N ASN A 24 3.070 -11.635 -3.061 1.00 0.00 N ATOM 388 CA ASN A 24 3.880 -12.672 -3.648 1.00 0.00 C ATOM 389 C ASN A 24 4.881 -13.188 -2.619 1.00 0.00 C ATOM 390 O ASN A 24 5.013 -14.388 -2.386 1.00 0.00 O ATOM 391 CB ASN A 24 4.679 -11.952 -4.727 1.00 0.00 C ATOM 392 CG ASN A 24 4.054 -11.865 -6.086 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.866 -12.853 -6.787 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.845 -10.633 -6.467 1.00 0.00 N ATOM 0 H ASN A 24 3.278 -10.715 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 24 3.277 -13.504 -4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.881 -10.938 -4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.642 -12.453 -4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.501 -10.442 -7.408 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.026 -9.863 -5.823 1.00 0.00 H new ATOM 401 N CYS A 25 5.627 -12.222 -2.084 1.00 0.00 N ATOM 402 CA CYS A 25 6.790 -12.280 -1.214 1.00 0.00 C ATOM 403 C CYS A 25 8.033 -12.393 -2.098 1.00 0.00 C ATOM 404 O CYS A 25 8.679 -13.437 -2.184 1.00 0.00 O ATOM 405 CB CYS A 25 6.687 -13.357 -0.123 1.00 0.00 C ATOM 406 SG CYS A 25 7.844 -12.983 1.234 1.00 0.00 S ATOM 0 H CYS A 25 5.392 -11.249 -2.282 1.00 0.00 H new ATOM 0 HA CYS A 25 6.858 -11.362 -0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.667 -13.402 0.260 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.913 -14.336 -0.545 1.00 0.00 H new ATOM 0 HG CYS A 25 7.747 -13.899 2.152 1.00 0.00 H new ATOM 412 N GLU A 26 8.390 -11.293 -2.761 1.00 0.00 N ATOM 413 CA GLU A 26 9.621 -11.044 -3.458 1.00 0.00 C ATOM 414 C GLU A 26 10.772 -10.905 -2.441 1.00 0.00 C ATOM 415 O GLU A 26 11.461 -9.885 -2.372 1.00 0.00 O ATOM 416 CB GLU A 26 9.405 -9.787 -4.323 1.00 0.00 C ATOM 417 CG GLU A 26 10.502 -9.592 -5.367 1.00 0.00 C ATOM 418 CD GLU A 26 10.622 -8.124 -5.820 1.00 0.00 C ATOM 419 OE1 GLU A 26 9.833 -7.683 -6.692 1.00 0.00 O ATOM 420 OE2 GLU A 26 11.509 -7.421 -5.276 1.00 0.00 O ATOM 0 H GLU A 26 7.760 -10.493 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 26 9.903 -11.868 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.440 -9.858 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.364 -8.910 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.456 -9.922 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.293 -10.221 -6.232 1.00 0.00 H new ATOM 427 N GLY A 27 10.945 -11.892 -1.567 1.00 0.00 N ATOM 428 CA GLY A 27 11.670 -11.679 -0.329 1.00 0.00 C ATOM 429 C GLY A 27 11.592 -12.832 0.662 1.00 0.00 C ATOM 430 O GLY A 27 11.522 -13.996 0.285 1.00 0.00 O ATOM 0 H GLY A 27 10.593 -12.841 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.717 -11.491 -0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.285 -10.779 0.151 1.00 0.00 H new ATOM 434 N ASP A 28 11.721 -12.470 1.941 1.00 0.00 N ATOM 435 CA ASP A 28 12.118 -13.351 3.043 1.00 0.00 C ATOM 436 C ASP A 28 11.451 -12.891 4.350 1.00 0.00 C ATOM 437 O ASP A 28 12.098 -12.812 5.379 1.00 0.00 O ATOM 438 CB ASP A 28 13.660 -13.299 3.119 1.00 0.00 C ATOM 439 CG ASP A 28 14.291 -14.090 4.276 1.00 0.00 C ATOM 440 OD1 ASP A 28 13.875 -15.232 4.549 1.00 0.00 O ATOM 441 OD2 ASP A 28 15.177 -13.531 4.964 1.00 0.00 O ATOM 0 H ASP A 28 11.544 -11.514 2.250 1.00 0.00 H new ATOM 0 HA ASP A 28 11.795 -14.379 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 28 14.066 -13.676 2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.968 -12.257 3.204 1.00 0.00 H new ATOM 446 N GLU A 29 10.194 -12.429 4.317 1.00 0.00 N ATOM 447 CA GLU A 29 9.326 -11.929 5.410 1.00 0.00 C ATOM 448 C GLU A 29 9.725 -10.500 5.724 1.00 0.00 C ATOM 449 O GLU A 29 8.924 -9.583 5.757 1.00 0.00 O ATOM 450 CB GLU A 29 9.422 -12.782 6.700 1.00 0.00 C ATOM 451 CG GLU A 29 9.410 -14.322 6.591 1.00 0.00 C ATOM 452 CD GLU A 29 10.073 -14.987 7.816 1.00 0.00 C ATOM 453 OE1 GLU A 29 11.301 -14.791 8.013 1.00 0.00 O ATOM 454 OE2 GLU A 29 9.366 -15.705 8.555 1.00 0.00 O ATOM 0 H GLU A 29 9.698 -12.389 3.427 1.00 0.00 H new ATOM 0 HA GLU A 29 8.293 -11.991 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.340 -12.497 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.593 -12.493 7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.382 -14.672 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.933 -14.627 5.684 1.00 0.00 H new ATOM 461 N LYS A 30 11.017 -10.317 5.861 1.00 0.00 N ATOM 462 CA LYS A 30 11.744 -9.144 6.274 1.00 0.00 C ATOM 463 C LYS A 30 11.594 -8.031 5.256 1.00 0.00 C ATOM 464 O LYS A 30 11.443 -6.868 5.588 1.00 0.00 O ATOM 465 CB LYS A 30 13.192 -9.629 6.463 1.00 0.00 C ATOM 466 CG LYS A 30 13.239 -10.760 7.522 1.00 0.00 C ATOM 467 CD LYS A 30 14.568 -11.521 7.654 1.00 0.00 C ATOM 468 CE LYS A 30 14.335 -12.931 8.246 1.00 0.00 C ATOM 469 NZ LYS A 30 13.693 -13.864 7.289 1.00 0.00 N ATOM 0 H LYS A 30 11.660 -11.083 5.660 1.00 0.00 H new ATOM 0 HA LYS A 30 11.370 -8.706 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.590 -9.991 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.824 -8.799 6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.995 -10.329 8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.455 -11.480 7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.043 -11.606 6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.251 -10.961 8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.291 -13.347 8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.711 -12.847 9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.052 -14.502 7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.151 -13.322 6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.425 -14.423 6.806 1.00 0.00 H new ATOM 483 N LYS A 31 11.583 -8.421 3.993 1.00 0.00 N ATOM 484 CA LYS A 31 11.226 -7.624 2.860 1.00 0.00 C ATOM 485 C LYS A 31 9.760 -7.169 2.950 1.00 0.00 C ATOM 486 O LYS A 31 9.481 -6.021 2.622 1.00 0.00 O ATOM 487 CB LYS A 31 11.518 -8.496 1.639 1.00 0.00 C ATOM 488 CG LYS A 31 12.087 -7.743 0.438 1.00 0.00 C ATOM 489 CD LYS A 31 11.214 -6.609 -0.120 1.00 0.00 C ATOM 490 CE LYS A 31 11.659 -6.186 -1.532 1.00 0.00 C ATOM 491 NZ LYS A 31 11.225 -7.147 -2.566 1.00 0.00 N ATOM 0 H LYS A 31 11.843 -9.371 3.727 1.00 0.00 H new ATOM 0 HA LYS A 31 11.797 -6.697 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.221 -9.277 1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.597 -8.993 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.053 -7.326 0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.271 -8.460 -0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.173 -6.932 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.263 -5.750 0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.251 -5.201 -1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.745 -6.095 -1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.547 -6.821 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.635 -8.082 -2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.187 -7.216 -2.562 1.00 0.00 H new ATOM 505 N GLN A 32 8.828 -8.035 3.382 1.00 0.00 N ATOM 506 CA GLN A 32 7.464 -7.607 3.655 1.00 0.00 C ATOM 507 C GLN A 32 7.455 -6.614 4.805 1.00 0.00 C ATOM 508 O GLN A 32 6.790 -5.604 4.659 1.00 0.00 O ATOM 509 CB GLN A 32 6.482 -8.747 3.983 1.00 0.00 C ATOM 510 CG GLN A 32 6.605 -10.018 3.138 1.00 0.00 C ATOM 511 CD GLN A 32 5.462 -10.989 3.469 1.00 0.00 C ATOM 512 OE1 GLN A 32 5.173 -11.266 4.628 1.00 0.00 O ATOM 513 NE2 GLN A 32 4.765 -11.535 2.491 1.00 0.00 N ATOM 0 H GLN A 32 9.001 -9.027 3.546 1.00 0.00 H new ATOM 0 HA GLN A 32 7.115 -7.155 2.726 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.613 -9.019 5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.467 -8.364 3.878 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.579 -9.763 2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.565 -10.498 3.327 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.990 -11.317 1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.001 -12.175 2.705 1.00 0.00 H new ATOM 522 N ASP A 33 8.167 -6.869 5.908 1.00 0.00 N ATOM 523 CA ASP A 33 8.241 -5.911 7.038 1.00 0.00 C ATOM 524 C ASP A 33 8.750 -4.536 6.594 1.00 0.00 C ATOM 525 O ASP A 33 8.203 -3.496 6.955 1.00 0.00 O ATOM 526 CB ASP A 33 9.176 -6.450 8.128 1.00 0.00 C ATOM 527 CG ASP A 33 8.994 -5.745 9.476 1.00 0.00 C ATOM 528 OD1 ASP A 33 7.830 -5.640 9.923 1.00 0.00 O ATOM 529 OD2 ASP A 33 10.032 -5.407 10.091 1.00 0.00 O ATOM 0 H ASP A 33 8.702 -7.726 6.051 1.00 0.00 H new ATOM 0 HA ASP A 33 7.228 -5.798 7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.998 -7.518 8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.210 -6.336 7.801 1.00 0.00 H new ATOM 534 N ASP A 34 9.768 -4.540 5.737 1.00 0.00 N ATOM 535 CA ASP A 34 10.403 -3.340 5.198 1.00 0.00 C ATOM 536 C ASP A 34 9.448 -2.559 4.284 1.00 0.00 C ATOM 537 O ASP A 34 9.352 -1.328 4.351 1.00 0.00 O ATOM 538 CB ASP A 34 11.677 -3.722 4.433 1.00 0.00 C ATOM 539 CG ASP A 34 12.275 -2.541 3.661 1.00 0.00 C ATOM 540 OD1 ASP A 34 12.497 -1.463 4.264 1.00 0.00 O ATOM 541 OD2 ASP A 34 12.505 -2.702 2.444 1.00 0.00 O ATOM 0 H ASP A 34 10.186 -5.403 5.388 1.00 0.00 H new ATOM 0 HA ASP A 34 10.664 -2.692 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.417 -4.105 5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.450 -4.530 3.737 1.00 0.00 H new ATOM 546 N ASN A 35 8.684 -3.281 3.457 1.00 0.00 N ATOM 547 CA ASN A 35 7.484 -2.736 2.825 1.00 0.00 C ATOM 548 C ASN A 35 6.520 -2.232 3.875 1.00 0.00 C ATOM 549 O ASN A 35 5.910 -1.208 3.635 1.00 0.00 O ATOM 550 CB ASN A 35 6.757 -3.766 1.936 1.00 0.00 C ATOM 551 CG ASN A 35 5.300 -3.359 1.707 1.00 0.00 C ATOM 552 OD1 ASN A 35 4.972 -2.714 0.728 1.00 0.00 O ATOM 553 ND2 ASN A 35 4.393 -3.709 2.609 1.00 0.00 N ATOM 0 H ASN A 35 8.880 -4.251 3.210 1.00 0.00 H new ATOM 0 HA ASN A 35 7.817 -1.917 2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.270 -3.851 0.978 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.795 -4.749 2.406 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.418 -3.438 2.483 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.671 -4.249 3.428 1.00 0.00 H new ATOM 560 N LEU A 36 6.259 -2.963 4.949 1.00 0.00 N ATOM 561 CA LEU A 36 5.092 -2.765 5.771 1.00 0.00 C ATOM 562 C LEU A 36 5.168 -1.472 6.554 1.00 0.00 C ATOM 563 O LEU A 36 4.172 -0.764 6.623 1.00 0.00 O ATOM 564 CB LEU A 36 4.842 -4.045 6.581 1.00 0.00 C ATOM 565 CG LEU A 36 3.867 -5.008 5.887 1.00 0.00 C ATOM 566 CD1 LEU A 36 3.711 -6.281 6.720 1.00 0.00 C ATOM 567 CD2 LEU A 36 2.492 -4.407 5.571 1.00 0.00 C ATOM 0 H LEU A 36 6.864 -3.718 5.271 1.00 0.00 H new ATOM 0 HA LEU A 36 4.199 -2.615 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.791 -4.554 6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.446 -3.778 7.561 1.00 0.00 H new ATOM 0 HG LEU A 36 4.313 -5.236 4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.018 -6.959 6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.681 -6.767 6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.323 -6.025 7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.871 -5.157 5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.014 -4.086 6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.613 -3.549 4.909 1.00 0.00 H new ATOM 579 N GLU A 37 6.361 -1.088 6.983 1.00 0.00 N ATOM 580 CA GLU A 37 6.669 0.277 7.416 1.00 0.00 C ATOM 581 C GLU A 37 6.292 1.237 6.301 1.00 0.00 C ATOM 582 O GLU A 37 5.500 2.146 6.525 1.00 0.00 O ATOM 583 CB GLU A 37 8.162 0.391 7.794 1.00 0.00 C ATOM 584 CG GLU A 37 8.664 1.823 8.092 1.00 0.00 C ATOM 585 CD GLU A 37 8.996 2.678 6.850 1.00 0.00 C ATOM 586 OE1 GLU A 37 9.787 2.217 5.993 1.00 0.00 O ATOM 587 OE2 GLU A 37 8.479 3.815 6.755 1.00 0.00 O ATOM 0 H GLU A 37 7.158 -1.722 7.043 1.00 0.00 H new ATOM 0 HA GLU A 37 6.093 0.533 8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.346 -0.230 8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.758 -0.023 6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.905 2.342 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.556 1.755 8.715 1.00 0.00 H new ATOM 594 N HIS A 38 6.818 1.020 5.098 1.00 0.00 N ATOM 595 CA HIS A 38 6.591 1.917 3.978 1.00 0.00 C ATOM 596 C HIS A 38 5.094 2.079 3.658 1.00 0.00 C ATOM 597 O HIS A 38 4.625 3.189 3.421 1.00 0.00 O ATOM 598 CB HIS A 38 7.395 1.456 2.762 1.00 0.00 C ATOM 599 CG HIS A 38 7.491 2.575 1.778 1.00 0.00 C ATOM 600 ND1 HIS A 38 8.212 3.730 1.967 1.00 0.00 N ATOM 601 CD2 HIS A 38 6.724 2.721 0.659 1.00 0.00 C ATOM 602 CE1 HIS A 38 7.887 4.571 0.978 1.00 0.00 C ATOM 603 NE2 HIS A 38 7.024 3.981 0.135 1.00 0.00 N ATOM 0 H HIS A 38 7.411 0.220 4.877 1.00 0.00 H new ATOM 0 HA HIS A 38 6.945 2.908 4.261 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.392 1.141 3.070 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.916 0.592 2.301 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.873 3.912 2.722 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.023 2.004 0.258 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.264 5.578 0.873 1.00 0.00 H new ATOM 611 N PHE A 39 4.343 0.981 3.675 1.00 0.00 N ATOM 612 CA PHE A 39 2.894 0.870 3.520 1.00 0.00 C ATOM 613 C PHE A 39 2.107 1.570 4.637 1.00 0.00 C ATOM 614 O PHE A 39 0.957 1.942 4.409 1.00 0.00 O ATOM 615 CB PHE A 39 2.548 -0.625 3.469 1.00 0.00 C ATOM 616 CG PHE A 39 1.075 -0.955 3.310 1.00 0.00 C ATOM 617 CD1 PHE A 39 0.371 -0.429 2.219 1.00 0.00 C ATOM 618 CD2 PHE A 39 0.415 -1.818 4.203 1.00 0.00 C ATOM 619 CE1 PHE A 39 -0.980 -0.749 2.004 1.00 0.00 C ATOM 620 CE2 PHE A 39 -0.927 -2.168 3.971 1.00 0.00 C ATOM 621 CZ PHE A 39 -1.633 -1.612 2.897 1.00 0.00 C ATOM 0 H PHE A 39 4.770 0.065 3.809 1.00 0.00 H new ATOM 0 HA PHE A 39 2.603 1.378 2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.094 -1.077 2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.910 -1.094 4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.875 0.234 1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.937 -2.210 5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.511 -0.335 1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.418 -2.872 4.627 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.678 -1.847 2.756 1.00 0.00 H new ATOM 631 N ILE A 40 2.684 1.821 5.813 1.00 0.00 N ATOM 632 CA ILE A 40 2.152 2.848 6.715 1.00 0.00 C ATOM 633 C ILE A 40 2.549 4.209 6.153 1.00 0.00 C ATOM 634 O ILE A 40 1.706 5.095 5.999 1.00 0.00 O ATOM 635 CB ILE A 40 2.658 2.683 8.184 1.00 0.00 C ATOM 636 CG1 ILE A 40 1.797 1.663 8.952 1.00 0.00 C ATOM 637 CG2 ILE A 40 2.590 3.987 9.010 1.00 0.00 C ATOM 638 CD1 ILE A 40 2.192 0.255 8.557 1.00 0.00 C ATOM 0 H ILE A 40 3.510 1.335 6.162 1.00 0.00 H new ATOM 0 HA ILE A 40 1.068 2.749 6.765 1.00 0.00 H new ATOM 0 HB ILE A 40 3.694 2.362 8.080 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.927 1.799 10.026 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.742 1.828 8.735 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.957 3.798 10.019 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.208 4.750 8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.558 4.334 9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.579 -0.462 9.104 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.039 0.121 7.486 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.243 0.091 8.796 1.00 0.00 H new ATOM 650 N SER A 41 3.841 4.355 5.879 1.00 0.00 N ATOM 651 CA SER A 41 4.552 5.594 5.768 1.00 0.00 C ATOM 652 C SER A 41 3.951 6.554 4.736 1.00 0.00 C ATOM 653 O SER A 41 3.517 7.650 5.093 1.00 0.00 O ATOM 654 CB SER A 41 6.032 5.291 5.511 1.00 0.00 C ATOM 655 OG SER A 41 6.894 5.865 6.466 1.00 0.00 O ATOM 0 H SER A 41 4.446 3.549 5.721 1.00 0.00 H new ATOM 0 HA SER A 41 4.456 6.132 6.711 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.178 4.211 5.503 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.304 5.657 4.521 1.00 0.00 H new ATOM 0 HG SER A 41 7.337 5.155 6.976 1.00 0.00 H new ATOM 661 N VAL A 42 3.913 6.184 3.447 1.00 0.00 N ATOM 662 CA VAL A 42 3.376 6.974 2.389 1.00 0.00 C ATOM 663 C VAL A 42 1.884 7.220 2.587 1.00 0.00 C ATOM 664 O VAL A 42 1.383 8.285 2.211 1.00 0.00 O ATOM 665 CB VAL A 42 3.752 6.257 1.116 1.00 0.00 C ATOM 666 CG1 VAL A 42 5.222 6.509 0.869 1.00 0.00 C ATOM 667 CG2 VAL A 42 3.447 4.791 0.866 1.00 0.00 C ATOM 0 H VAL A 42 4.276 5.286 3.127 1.00 0.00 H new ATOM 0 HA VAL A 42 3.786 7.984 2.356 1.00 0.00 H new ATOM 0 HB VAL A 42 3.042 6.697 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.529 6.004 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.396 7.580 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.803 6.125 1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.815 4.506 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.937 4.183 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.370 4.631 0.911 1.00 0.00 H new ATOM 677 N THR A 43 1.183 6.223 3.121 1.00 0.00 N ATOM 678 CA THR A 43 -0.243 6.084 3.107 1.00 0.00 C ATOM 679 C THR A 43 -0.916 6.904 4.189 1.00 0.00 C ATOM 680 O THR A 43 -1.977 7.462 3.919 1.00 0.00 O ATOM 681 CB THR A 43 -0.573 4.595 3.174 1.00 0.00 C ATOM 682 OG1 THR A 43 0.501 3.798 2.719 1.00 0.00 O ATOM 683 CG2 THR A 43 -1.731 4.262 2.259 1.00 0.00 C ATOM 0 H THR A 43 1.640 5.449 3.602 1.00 0.00 H new ATOM 0 HA THR A 43 -0.647 6.491 2.180 1.00 0.00 H new ATOM 0 HB THR A 43 -0.800 4.389 4.220 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.433 2.902 3.111 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.950 3.196 2.322 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.610 4.831 2.562 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.469 4.519 1.233 1.00 0.00 H new ATOM 691 N GLU A 44 -0.347 6.977 5.396 1.00 0.00 N ATOM 692 CA GLU A 44 -1.006 7.502 6.597 1.00 0.00 C ATOM 693 C GLU A 44 -2.190 6.598 7.005 1.00 0.00 C ATOM 694 O GLU A 44 -2.885 6.910 7.969 1.00 0.00 O ATOM 695 CB GLU A 44 -1.472 8.947 6.314 1.00 0.00 C ATOM 696 CG GLU A 44 -1.605 9.945 7.465 1.00 0.00 C ATOM 697 CD GLU A 44 -2.456 11.134 6.988 1.00 0.00 C ATOM 698 OE1 GLU A 44 -2.236 11.640 5.859 1.00 0.00 O ATOM 699 OE2 GLU A 44 -3.442 11.466 7.685 1.00 0.00 O ATOM 0 H GLU A 44 0.608 6.665 5.570 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.305 7.511 7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.778 9.376 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.444 8.885 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.071 9.468 8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.621 10.288 7.784 1.00 0.00 H new ATOM 706 N HIS A 45 -2.453 5.518 6.254 1.00 0.00 N ATOM 707 CA HIS A 45 -3.647 4.692 6.362 1.00 0.00 C ATOM 708 C HIS A 45 -3.512 3.847 7.648 1.00 0.00 C ATOM 709 O HIS A 45 -2.675 2.945 7.683 1.00 0.00 O ATOM 710 CB HIS A 45 -3.881 3.854 5.080 1.00 0.00 C ATOM 711 CG HIS A 45 -5.162 3.048 5.141 1.00 0.00 C ATOM 712 ND1 HIS A 45 -5.425 2.140 6.141 1.00 0.00 N ATOM 713 CD2 HIS A 45 -6.270 3.089 4.315 1.00 0.00 C ATOM 714 CE1 HIS A 45 -6.682 1.702 5.996 1.00 0.00 C ATOM 715 NE2 HIS A 45 -7.223 2.263 4.910 1.00 0.00 N ATOM 0 H HIS A 45 -1.812 5.191 5.531 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.542 5.308 6.444 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.914 4.518 4.216 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.038 3.180 4.931 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.376 3.647 3.396 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.180 1.005 6.653 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.174 2.112 4.573 1.00 0.00 H new ATOM 723 N PRO A 46 -4.314 4.102 8.699 1.00 0.00 N ATOM 724 CA PRO A 46 -4.062 3.684 10.077 1.00 0.00 C ATOM 725 C PRO A 46 -3.969 2.173 10.279 1.00 0.00 C ATOM 726 O PRO A 46 -3.215 1.736 11.143 1.00 0.00 O ATOM 727 CB PRO A 46 -5.195 4.293 10.919 1.00 0.00 C ATOM 728 CG PRO A 46 -6.251 4.740 9.905 1.00 0.00 C ATOM 729 CD PRO A 46 -5.433 5.007 8.665 1.00 0.00 C ATOM 0 HA PRO A 46 -3.078 4.040 10.382 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.604 3.562 11.617 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.837 5.135 11.512 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.002 3.968 9.736 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.781 5.632 10.240 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.030 4.849 7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.092 6.042 8.643 1.00 0.00 H new ATOM 737 N SER A 47 -4.715 1.393 9.498 1.00 0.00 N ATOM 738 CA SER A 47 -4.647 -0.059 9.492 1.00 0.00 C ATOM 739 C SER A 47 -3.231 -0.586 9.243 1.00 0.00 C ATOM 740 O SER A 47 -2.848 -1.604 9.824 1.00 0.00 O ATOM 741 CB SER A 47 -5.594 -0.537 8.390 1.00 0.00 C ATOM 742 OG SER A 47 -6.930 -0.311 8.776 1.00 0.00 O ATOM 0 H SER A 47 -5.398 1.766 8.838 1.00 0.00 H new ATOM 0 HA SER A 47 -4.935 -0.440 10.472 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.380 -0.009 7.460 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.436 -1.598 8.198 1.00 0.00 H new ATOM 0 HG SER A 47 -7.316 -1.143 9.122 1.00 0.00 H new ATOM 748 N GLY A 48 -2.452 0.062 8.367 1.00 0.00 N ATOM 749 CA GLY A 48 -1.295 -0.592 7.782 1.00 0.00 C ATOM 750 C GLY A 48 -1.712 -1.963 7.265 1.00 0.00 C ATOM 751 O GLY A 48 -2.723 -2.110 6.574 1.00 0.00 O ATOM 0 H GLY A 48 -2.605 1.022 8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.892 0.011 6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.504 -0.694 8.525 1.00 0.00 H new ATOM 755 N SER A 49 -0.942 -2.965 7.663 1.00 0.00 N ATOM 756 CA SER A 49 -1.061 -4.370 7.302 1.00 0.00 C ATOM 757 C SER A 49 -2.408 -5.019 7.625 1.00 0.00 C ATOM 758 O SER A 49 -2.636 -6.141 7.188 1.00 0.00 O ATOM 759 CB SER A 49 0.059 -5.175 7.996 1.00 0.00 C ATOM 760 OG SER A 49 1.071 -4.349 8.566 1.00 0.00 O ATOM 0 H SER A 49 -0.158 -2.804 8.295 1.00 0.00 H new ATOM 0 HA SER A 49 -0.973 -4.394 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.379 -5.795 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.515 -5.850 7.272 1.00 0.00 H new ATOM 0 HG SER A 49 1.751 -4.912 8.992 1.00 0.00 H new ATOM 766 N ASP A 50 -3.299 -4.374 8.371 1.00 0.00 N ATOM 767 CA ASP A 50 -4.633 -4.896 8.666 1.00 0.00 C ATOM 768 C ASP A 50 -5.458 -5.122 7.383 1.00 0.00 C ATOM 769 O ASP A 50 -6.092 -6.168 7.266 1.00 0.00 O ATOM 770 CB ASP A 50 -5.257 -3.978 9.731 1.00 0.00 C ATOM 771 CG ASP A 50 -6.780 -3.923 9.803 1.00 0.00 C ATOM 772 OD1 ASP A 50 -7.340 -4.783 10.515 1.00 0.00 O ATOM 773 OD2 ASP A 50 -7.330 -2.918 9.289 1.00 0.00 O ATOM 0 H ASP A 50 -3.115 -3.464 8.793 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.597 -5.899 9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.884 -4.291 10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.891 -2.966 9.560 1.00 0.00 H new ATOM 778 N LEU A 51 -5.289 -4.304 6.331 1.00 0.00 N ATOM 779 CA LEU A 51 -5.914 -4.522 5.007 1.00 0.00 C ATOM 780 C LEU A 51 -5.327 -5.718 4.251 1.00 0.00 C ATOM 781 O LEU A 51 -5.837 -6.077 3.191 1.00 0.00 O ATOM 782 CB LEU A 51 -5.687 -3.254 4.163 1.00 0.00 C ATOM 783 CG LEU A 51 -6.814 -2.206 4.207 1.00 0.00 C ATOM 784 CD1 LEU A 51 -7.502 -2.022 5.563 1.00 0.00 C ATOM 785 CD2 LEU A 51 -6.174 -0.882 3.792 1.00 0.00 C ATOM 0 H LEU A 51 -4.711 -3.465 6.371 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.971 -4.733 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.763 -2.780 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.536 -3.554 3.126 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.608 -2.552 3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.278 -1.261 5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.952 -2.965 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.767 -1.709 6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.927 -0.094 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.375 -0.630 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.763 -0.976 2.787 1.00 0.00 H new ATOM 797 N ILE A 52 -4.238 -6.299 4.749 1.00 0.00 N ATOM 798 CA ILE A 52 -3.396 -7.255 4.040 1.00 0.00 C ATOM 799 C ILE A 52 -3.432 -8.601 4.777 1.00 0.00 C ATOM 800 O ILE A 52 -3.485 -9.650 4.140 1.00 0.00 O ATOM 801 CB ILE A 52 -1.996 -6.630 3.875 1.00 0.00 C ATOM 802 CG1 ILE A 52 -2.052 -5.684 2.655 1.00 0.00 C ATOM 803 CG2 ILE A 52 -0.797 -7.602 3.829 1.00 0.00 C ATOM 804 CD1 ILE A 52 -0.710 -5.054 2.300 1.00 0.00 C ATOM 0 H ILE A 52 -3.906 -6.108 5.695 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.755 -7.471 3.034 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.780 -6.085 4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.421 -6.240 1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.773 -4.891 2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.126 -7.035 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.756 -8.173 4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.914 -8.285 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.831 -4.404 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.348 -4.469 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.010 -5.839 2.067 1.00 0.00 H new ATOM 816 N TYR A 53 -3.417 -8.588 6.114 1.00 0.00 N ATOM 817 CA TYR A 53 -3.351 -9.762 6.959 1.00 0.00 C ATOM 818 C TYR A 53 -4.673 -10.032 7.686 1.00 0.00 C ATOM 819 O TYR A 53 -4.898 -11.177 8.081 1.00 0.00 O ATOM 820 CB TYR A 53 -2.222 -9.548 7.977 1.00 0.00 C ATOM 821 CG TYR A 53 -0.775 -9.580 7.484 1.00 0.00 C ATOM 822 CD1 TYR A 53 -0.369 -10.363 6.380 1.00 0.00 C ATOM 823 CD2 TYR A 53 0.199 -8.861 8.205 1.00 0.00 C ATOM 824 CE1 TYR A 53 0.988 -10.422 5.999 1.00 0.00 C ATOM 825 CE2 TYR A 53 1.555 -8.918 7.833 1.00 0.00 C ATOM 826 CZ TYR A 53 1.961 -9.701 6.729 1.00 0.00 C ATOM 827 OH TYR A 53 3.285 -9.742 6.400 1.00 0.00 O ATOM 0 H TYR A 53 -3.452 -7.720 6.648 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.156 -10.634 6.335 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.387 -8.583 8.456 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.325 -10.309 8.750 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.105 -10.922 5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.098 -8.260 9.052 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.284 -11.019 5.149 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.290 -8.360 8.395 1.00 0.00 H new ATOM 0 HH TYR A 53 3.439 -10.460 5.751 1.00 0.00 H new ATOM 837 N TYR A 54 -5.556 -9.037 7.845 1.00 0.00 N ATOM 838 CA TYR A 54 -6.861 -9.189 8.490 1.00 0.00 C ATOM 839 C TYR A 54 -8.007 -8.689 7.579 1.00 0.00 C ATOM 840 O TYR A 54 -8.952 -8.094 8.097 1.00 0.00 O ATOM 841 CB TYR A 54 -6.857 -8.459 9.852 1.00 0.00 C ATOM 842 CG TYR A 54 -5.633 -8.630 10.742 1.00 0.00 C ATOM 843 CD1 TYR A 54 -5.065 -9.898 10.977 1.00 0.00 C ATOM 844 CD2 TYR A 54 -5.060 -7.494 11.343 1.00 0.00 C ATOM 845 CE1 TYR A 54 -3.903 -10.022 11.761 1.00 0.00 C ATOM 846 CE2 TYR A 54 -3.898 -7.604 12.125 1.00 0.00 C ATOM 847 CZ TYR A 54 -3.309 -8.873 12.328 1.00 0.00 C ATOM 848 OH TYR A 54 -2.175 -8.992 13.072 1.00 0.00 O ATOM 0 H TYR A 54 -5.377 -8.086 7.521 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.042 -10.250 8.665 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.988 -7.394 9.662 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.730 -8.792 10.414 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.524 -10.779 10.553 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.519 -6.527 11.202 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.466 -10.995 11.929 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.457 -6.724 12.569 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.896 -8.107 13.387 1.00 0.00 H new ATOM 858 N PRO A 55 -7.962 -8.897 6.244 1.00 0.00 N ATOM 859 CA PRO A 55 -8.847 -8.206 5.316 1.00 0.00 C ATOM 860 C PRO A 55 -10.324 -8.559 5.548 1.00 0.00 C ATOM 861 O PRO A 55 -10.676 -9.623 6.068 1.00 0.00 O ATOM 862 CB PRO A 55 -8.375 -8.634 3.935 1.00 0.00 C ATOM 863 CG PRO A 55 -7.813 -10.011 4.143 1.00 0.00 C ATOM 864 CD PRO A 55 -7.154 -9.869 5.513 1.00 0.00 C ATOM 0 HA PRO A 55 -8.799 -7.125 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.197 -8.644 3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.620 -7.952 3.544 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.590 -10.776 4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.095 -10.282 3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.126 -10.826 6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.123 -9.528 5.418 1.00 0.00 H new ATOM 872 N GLU A 56 -11.192 -7.667 5.087 1.00 0.00 N ATOM 873 CA GLU A 56 -12.635 -7.692 5.253 1.00 0.00 C ATOM 874 C GLU A 56 -13.313 -7.913 3.894 1.00 0.00 C ATOM 875 O GLU A 56 -12.724 -8.435 2.954 1.00 0.00 O ATOM 876 CB GLU A 56 -13.109 -6.448 6.048 1.00 0.00 C ATOM 877 CG GLU A 56 -12.423 -5.108 5.727 1.00 0.00 C ATOM 878 CD GLU A 56 -12.100 -4.963 4.243 1.00 0.00 C ATOM 879 OE1 GLU A 56 -13.061 -4.888 3.440 1.00 0.00 O ATOM 880 OE2 GLU A 56 -10.903 -5.074 3.899 1.00 0.00 O ATOM 0 H GLU A 56 -10.884 -6.855 4.553 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.944 -8.540 5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.180 -6.328 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.972 -6.653 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.070 -4.288 6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.503 -5.025 6.306 1.00 0.00 H new ATOM 887 N GLY A 57 -14.612 -7.641 3.816 1.00 0.00 N ATOM 888 CA GLY A 57 -15.463 -8.100 2.725 1.00 0.00 C ATOM 889 C GLY A 57 -15.675 -7.145 1.569 1.00 0.00 C ATOM 890 O GLY A 57 -16.433 -7.463 0.652 1.00 0.00 O ATOM 0 H GLY A 57 -15.108 -7.090 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.038 -9.022 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.439 -8.352 3.140 1.00 0.00 H new ATOM 894 N ASN A 58 -15.064 -5.973 1.630 1.00 0.00 N ATOM 895 CA ASN A 58 -14.809 -5.171 0.433 1.00 0.00 C ATOM 896 C ASN A 58 -13.614 -5.774 -0.322 1.00 0.00 C ATOM 897 O ASN A 58 -13.427 -5.496 -1.506 1.00 0.00 O ATOM 898 CB ASN A 58 -14.533 -3.707 0.845 1.00 0.00 C ATOM 899 CG ASN A 58 -13.221 -3.148 0.378 1.00 0.00 C ATOM 900 OD1 ASN A 58 -13.124 -2.499 -0.657 1.00 0.00 O ATOM 901 ND2 ASN A 58 -12.233 -3.291 1.212 1.00 0.00 N ATOM 0 H ASN A 58 -14.732 -5.550 2.497 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.677 -5.178 -0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.336 -3.080 0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.572 -3.639 1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.333 -2.854 1.016 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.359 -3.840 2.062 1.00 0.00 H new ATOM 908 N ASN A 59 -12.816 -6.598 0.362 1.00 0.00 N ATOM 909 CA ASN A 59 -11.449 -6.881 -0.038 1.00 0.00 C ATOM 910 C ASN A 59 -11.406 -8.093 -0.954 1.00 0.00 C ATOM 911 O ASN A 59 -12.032 -9.116 -0.673 1.00 0.00 O ATOM 912 CB ASN A 59 -10.620 -7.042 1.237 1.00 0.00 C ATOM 913 CG ASN A 59 -9.159 -6.718 1.108 1.00 0.00 C ATOM 914 OD1 ASN A 59 -8.532 -6.998 0.093 1.00 0.00 O ATOM 915 ND2 ASN A 59 -8.597 -6.230 2.197 1.00 0.00 N ATOM 0 H ASN A 59 -13.107 -7.085 1.210 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.022 -6.066 -0.621 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.048 -6.404 2.010 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.716 -8.071 1.584 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.590 -6.068 2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.169 -6.015 3.014 1.00 0.00 H new ATOM 922 N ASP A 60 -10.682 -7.979 -2.068 1.00 0.00 N ATOM 923 CA ASP A 60 -10.443 -9.079 -2.998 1.00 0.00 C ATOM 924 C ASP A 60 -9.177 -9.851 -2.618 1.00 0.00 C ATOM 925 O ASP A 60 -8.875 -10.874 -3.234 1.00 0.00 O ATOM 926 CB ASP A 60 -10.427 -8.585 -4.460 1.00 0.00 C ATOM 927 CG ASP A 60 -9.082 -8.055 -4.972 1.00 0.00 C ATOM 928 OD1 ASP A 60 -8.334 -7.408 -4.211 1.00 0.00 O ATOM 929 OD2 ASP A 60 -8.789 -8.242 -6.173 1.00 0.00 O ATOM 0 H ASP A 60 -10.239 -7.105 -2.352 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.274 -9.781 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.741 -9.406 -5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.171 -7.795 -4.565 1.00 0.00 H new ATOM 934 N GLY A 61 -8.455 -9.394 -1.586 1.00 0.00 N ATOM 935 CA GLY A 61 -7.252 -10.002 -1.051 1.00 0.00 C ATOM 936 C GLY A 61 -6.062 -9.942 -2.007 1.00 0.00 C ATOM 937 O GLY A 61 -5.002 -10.488 -1.697 1.00 0.00 O ATOM 0 H GLY A 61 -8.717 -8.546 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.985 -9.502 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.459 -11.044 -0.806 1.00 0.00 H new ATOM 941 N SER A 62 -6.217 -9.318 -3.172 1.00 0.00 N ATOM 942 CA SER A 62 -5.196 -9.082 -4.142 1.00 0.00 C ATOM 943 C SER A 62 -4.606 -7.687 -3.906 1.00 0.00 C ATOM 944 O SER A 62 -5.064 -6.946 -3.028 1.00 0.00 O ATOM 945 CB SER A 62 -5.888 -9.331 -5.486 1.00 0.00 C ATOM 946 OG SER A 62 -6.175 -8.182 -6.247 1.00 0.00 O ATOM 0 H SER A 62 -7.121 -8.948 -3.465 1.00 0.00 H new ATOM 0 HA SER A 62 -4.323 -9.732 -4.093 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.257 -9.991 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.821 -9.864 -5.300 1.00 0.00 H new ATOM 0 HG SER A 62 -7.100 -8.225 -6.569 1.00 0.00 H new ATOM 952 N PRO A 63 -3.594 -7.267 -4.683 1.00 0.00 N ATOM 953 CA PRO A 63 -3.093 -5.911 -4.570 1.00 0.00 C ATOM 954 C PRO A 63 -4.136 -4.873 -4.991 1.00 0.00 C ATOM 955 O PRO A 63 -3.939 -3.682 -4.772 1.00 0.00 O ATOM 956 CB PRO A 63 -1.836 -5.870 -5.448 1.00 0.00 C ATOM 957 CG PRO A 63 -2.143 -6.913 -6.519 1.00 0.00 C ATOM 958 CD PRO A 63 -2.883 -7.990 -5.728 1.00 0.00 C ATOM 0 HA PRO A 63 -2.861 -5.654 -3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.675 -4.882 -5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.939 -6.122 -4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.758 -6.503 -7.320 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.235 -7.300 -6.981 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.573 -8.544 -6.365 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.189 -8.716 -5.304 1.00 0.00 H new ATOM 966 N GLU A 64 -5.238 -5.279 -5.612 1.00 0.00 N ATOM 967 CA GLU A 64 -6.204 -4.366 -6.163 1.00 0.00 C ATOM 968 C GLU A 64 -6.986 -3.702 -5.062 1.00 0.00 C ATOM 969 O GLU A 64 -6.950 -2.477 -4.980 1.00 0.00 O ATOM 970 CB GLU A 64 -7.110 -5.124 -7.125 1.00 0.00 C ATOM 971 CG GLU A 64 -6.363 -5.359 -8.437 1.00 0.00 C ATOM 972 CD GLU A 64 -6.422 -4.097 -9.309 1.00 0.00 C ATOM 973 OE1 GLU A 64 -7.550 -3.638 -9.618 1.00 0.00 O ATOM 974 OE2 GLU A 64 -5.355 -3.495 -9.565 1.00 0.00 O ATOM 0 H GLU A 64 -5.478 -6.262 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.697 -3.575 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.410 -6.076 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.022 -4.556 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.325 -5.621 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.805 -6.201 -8.971 1.00 0.00 H new ATOM 981 N ALA A 65 -7.703 -4.475 -4.250 1.00 0.00 N ATOM 982 CA ALA A 65 -8.571 -3.907 -3.231 1.00 0.00 C ATOM 983 C ALA A 65 -7.792 -3.063 -2.227 1.00 0.00 C ATOM 984 O ALA A 65 -8.350 -2.084 -1.743 1.00 0.00 O ATOM 985 CB ALA A 65 -9.360 -4.997 -2.521 1.00 0.00 C ATOM 0 H ALA A 65 -7.698 -5.495 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.274 -3.246 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.002 -4.547 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.974 -5.532 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.670 -5.694 -2.045 1.00 0.00 H new ATOM 991 N VAL A 66 -6.508 -3.344 -1.975 1.00 0.00 N ATOM 992 CA VAL A 66 -5.743 -2.426 -1.124 1.00 0.00 C ATOM 993 C VAL A 66 -5.553 -1.097 -1.863 1.00 0.00 C ATOM 994 O VAL A 66 -5.735 -0.048 -1.261 1.00 0.00 O ATOM 995 CB VAL A 66 -4.391 -3.022 -0.695 1.00 0.00 C ATOM 996 CG1 VAL A 66 -3.630 -2.058 0.210 1.00 0.00 C ATOM 997 CG2 VAL A 66 -4.496 -4.399 0.001 1.00 0.00 C ATOM 0 H VAL A 66 -5.998 -4.155 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.306 -2.255 -0.207 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.846 -3.179 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.678 -2.504 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.447 -1.126 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.221 -1.854 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.499 -4.747 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.104 -4.306 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.959 -5.115 -0.678 1.00 0.00 H new ATOM 1007 N ILE A 67 -5.199 -1.079 -3.155 1.00 0.00 N ATOM 1008 CA ILE A 67 -4.994 0.194 -3.866 1.00 0.00 C ATOM 1009 C ILE A 67 -6.234 1.033 -3.832 1.00 0.00 C ATOM 1010 O ILE A 67 -6.159 2.242 -3.638 1.00 0.00 O ATOM 1011 CB ILE A 67 -4.514 -0.044 -5.322 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -3.001 0.195 -5.326 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -5.139 0.845 -6.418 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -2.364 -0.746 -4.318 1.00 0.00 C ATOM 0 H ILE A 67 -5.050 -1.914 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.207 0.742 -3.348 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.826 -1.056 -5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.592 0.018 -6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.780 1.231 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.718 0.577 -7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.218 0.695 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.922 1.892 -6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.285 -0.591 -4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.770 -0.546 -3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.579 -1.778 -4.597 1.00 0.00 H new ATOM 1026 N LYS A 68 -7.335 0.346 -4.052 1.00 0.00 N ATOM 1027 CA LYS A 68 -8.675 0.880 -3.905 1.00 0.00 C ATOM 1028 C LYS A 68 -8.787 1.493 -2.548 1.00 0.00 C ATOM 1029 O LYS A 68 -8.878 2.700 -2.519 1.00 0.00 O ATOM 1030 CB LYS A 68 -9.754 -0.166 -4.193 1.00 0.00 C ATOM 1031 CG LYS A 68 -9.591 -0.634 -5.639 1.00 0.00 C ATOM 1032 CD LYS A 68 -10.684 -1.590 -6.138 1.00 0.00 C ATOM 1033 CE LYS A 68 -10.092 -2.711 -7.013 1.00 0.00 C ATOM 1034 NZ LYS A 68 -9.198 -2.206 -8.083 1.00 0.00 N ATOM 0 H LYS A 68 -7.323 -0.630 -4.347 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.849 1.654 -4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.659 -1.008 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.746 0.259 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.571 0.241 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.624 -1.128 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.204 -2.028 -5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.424 -1.032 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.536 -3.402 -6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.906 -3.278 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.954 -2.985 -8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.683 -1.455 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.329 -1.823 -7.658 1.00 0.00 H new ATOM 1048 N GLU A 69 -8.668 0.762 -1.458 1.00 0.00 N ATOM 1049 CA GLU A 69 -8.875 1.342 -0.149 1.00 0.00 C ATOM 1050 C GLU A 69 -7.891 2.463 0.152 1.00 0.00 C ATOM 1051 O GLU A 69 -8.146 3.322 0.971 1.00 0.00 O ATOM 1052 CB GLU A 69 -8.696 0.245 0.887 1.00 0.00 C ATOM 1053 CG GLU A 69 -9.889 0.085 1.858 1.00 0.00 C ATOM 1054 CD GLU A 69 -10.439 1.373 2.525 1.00 0.00 C ATOM 1055 OE1 GLU A 69 -11.011 2.224 1.801 1.00 0.00 O ATOM 1056 OE2 GLU A 69 -10.389 1.473 3.771 1.00 0.00 O ATOM 0 H GLU A 69 -8.430 -0.230 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.878 1.769 -0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.533 -0.702 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.796 0.452 1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.706 -0.389 1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.591 -0.604 2.649 1.00 0.00 H new ATOM 1063 N ILE A 70 -6.747 2.514 -0.511 1.00 0.00 N ATOM 1064 CA ILE A 70 -5.800 3.554 -0.328 1.00 0.00 C ATOM 1065 C ILE A 70 -6.377 4.781 -1.054 1.00 0.00 C ATOM 1066 O ILE A 70 -6.489 5.828 -0.426 1.00 0.00 O ATOM 1067 CB ILE A 70 -4.440 3.119 -0.799 1.00 0.00 C ATOM 1068 CG1 ILE A 70 -3.796 2.066 0.125 1.00 0.00 C ATOM 1069 CG2 ILE A 70 -3.552 4.350 -0.864 1.00 0.00 C ATOM 1070 CD1 ILE A 70 -4.474 1.366 1.313 1.00 0.00 C ATOM 0 H ILE A 70 -6.464 1.814 -1.197 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.642 3.811 0.719 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.550 2.650 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.458 1.266 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.904 2.541 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.557 4.063 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.980 5.071 -1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.482 4.801 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.772 0.673 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.785 2.111 2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.347 0.816 0.961 1.00 0.00 H new ATOM 1082 N LYS A 71 -6.735 4.708 -2.356 1.00 0.00 N ATOM 1083 CA LYS A 71 -7.545 5.746 -2.997 1.00 0.00 C ATOM 1084 C LYS A 71 -8.673 6.166 -2.082 1.00 0.00 C ATOM 1085 O LYS A 71 -8.799 7.361 -1.805 1.00 0.00 O ATOM 1086 CB LYS A 71 -8.236 5.303 -4.305 1.00 0.00 C ATOM 1087 CG LYS A 71 -7.360 4.797 -5.437 1.00 0.00 C ATOM 1088 CD LYS A 71 -6.540 5.901 -6.081 1.00 0.00 C ATOM 1089 CE LYS A 71 -6.059 5.396 -7.455 1.00 0.00 C ATOM 1090 NZ LYS A 71 -5.506 6.459 -8.322 1.00 0.00 N ATOM 0 H LYS A 71 -6.472 3.940 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.834 6.543 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.948 4.516 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.813 6.148 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.689 4.027 -5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.987 4.327 -6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.140 6.804 -6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.689 6.161 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.298 4.631 -7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.894 4.919 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.073 6.528 -9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.533 7.368 -7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.522 6.229 -8.568 1.00 0.00 H new ATOM 1104 N GLU A 72 -9.474 5.198 -1.652 1.00 0.00 N ATOM 1105 CA GLU A 72 -10.781 5.492 -1.187 1.00 0.00 C ATOM 1106 C GLU A 72 -10.740 6.003 0.248 1.00 0.00 C ATOM 1107 O GLU A 72 -11.329 7.049 0.524 1.00 0.00 O ATOM 1108 CB GLU A 72 -11.574 4.220 -1.461 1.00 0.00 C ATOM 1109 CG GLU A 72 -12.704 4.464 -2.457 1.00 0.00 C ATOM 1110 CD GLU A 72 -12.189 4.951 -3.829 1.00 0.00 C ATOM 1111 OE1 GLU A 72 -11.824 4.100 -4.674 1.00 0.00 O ATOM 1112 OE2 GLU A 72 -12.164 6.188 -4.039 1.00 0.00 O ATOM 0 H GLU A 72 -9.221 4.210 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.281 6.317 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.906 3.451 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.988 3.841 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.270 3.543 -2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.392 5.204 -2.047 1.00 0.00 H new ATOM 1119 N TRP A 73 -9.927 5.404 1.121 1.00 0.00 N ATOM 1120 CA TRP A 73 -9.554 5.978 2.399 1.00 0.00 C ATOM 1121 C TRP A 73 -9.003 7.374 2.226 1.00 0.00 C ATOM 1122 O TRP A 73 -9.471 8.268 2.937 1.00 0.00 O ATOM 1123 CB TRP A 73 -8.565 5.114 3.146 1.00 0.00 C ATOM 1124 CG TRP A 73 -8.309 5.580 4.536 1.00 0.00 C ATOM 1125 CD1 TRP A 73 -9.017 5.206 5.618 1.00 0.00 C ATOM 1126 CD2 TRP A 73 -7.264 6.463 5.013 1.00 0.00 C ATOM 1127 NE1 TRP A 73 -8.488 5.808 6.743 1.00 0.00 N ATOM 1128 CE2 TRP A 73 -7.413 6.617 6.419 1.00 0.00 C ATOM 1129 CE3 TRP A 73 -6.184 7.115 4.392 1.00 0.00 C ATOM 1130 CZ2 TRP A 73 -6.534 7.411 7.170 1.00 0.00 C ATOM 1131 CZ3 TRP A 73 -5.273 7.876 5.138 1.00 0.00 C ATOM 1132 CH2 TRP A 73 -5.451 8.033 6.514 1.00 0.00 C ATOM 0 H TRP A 73 -9.506 4.491 0.949 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.463 6.030 2.998 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.938 4.090 3.176 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.623 5.094 2.597 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.866 4.539 5.608 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -8.844 5.674 7.690 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.054 7.028 3.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -6.684 7.544 8.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.431 8.342 4.647 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -4.755 8.635 7.080 1.00 0.00 H new ATOM 1143 N ARG A 74 -8.007 7.604 1.349 1.00 0.00 N ATOM 1144 CA ARG A 74 -7.389 8.918 1.295 1.00 0.00 C ATOM 1145 C ARG A 74 -8.440 9.930 0.884 1.00 0.00 C ATOM 1146 O ARG A 74 -8.582 10.932 1.581 1.00 0.00 O ATOM 1147 CB ARG A 74 -6.189 8.896 0.347 1.00 0.00 C ATOM 1148 CG ARG A 74 -5.080 7.968 0.862 1.00 0.00 C ATOM 1149 CD ARG A 74 -4.191 8.561 1.949 1.00 0.00 C ATOM 1150 NE ARG A 74 -3.348 9.660 1.463 1.00 0.00 N ATOM 1151 CZ ARG A 74 -2.672 10.505 2.243 1.00 0.00 C ATOM 1152 NH1 ARG A 74 -2.478 10.220 3.522 1.00 0.00 N ATOM 1153 NH2 ARG A 74 -2.231 11.648 1.728 1.00 0.00 N ATOM 0 H ARG A 74 -7.632 6.917 0.695 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.006 9.206 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.511 8.566 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.796 9.906 0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.540 7.058 1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.452 7.676 0.020 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.816 8.923 2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.555 7.776 2.359 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.274 9.787 0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.846 9.353 3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.961 10.868 4.116 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.411 11.869 0.749 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.713 12.304 2.312 1.00 0.00 H new ATOM 1167 N ALA A 75 -9.188 9.683 -0.188 1.00 0.00 N ATOM 1168 CA ALA A 75 -10.164 10.618 -0.681 1.00 0.00 C ATOM 1169 C ALA A 75 -11.311 10.825 0.308 1.00 0.00 C ATOM 1170 O ALA A 75 -11.733 11.968 0.482 1.00 0.00 O ATOM 1171 CB ALA A 75 -10.685 10.159 -2.048 1.00 0.00 C ATOM 0 H ALA A 75 -9.125 8.823 -0.733 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.675 11.585 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.423 10.872 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.856 10.101 -2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.147 9.177 -1.950 1.00 0.00 H new ATOM 1177 N ALA A 76 -11.792 9.776 0.987 1.00 0.00 N ATOM 1178 CA ALA A 76 -12.823 9.899 2.014 1.00 0.00 C ATOM 1179 C ALA A 76 -12.311 10.761 3.168 1.00 0.00 C ATOM 1180 O ALA A 76 -13.033 11.616 3.678 1.00 0.00 O ATOM 1181 CB ALA A 76 -13.243 8.515 2.519 1.00 0.00 C ATOM 0 H ALA A 76 -11.474 8.819 0.836 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.698 10.382 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.012 8.625 3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.638 7.929 1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.379 8.005 2.944 1.00 0.00 H new ATOM 1187 N ASN A 77 -11.048 10.573 3.559 1.00 0.00 N ATOM 1188 CA ASN A 77 -10.358 11.412 4.516 1.00 0.00 C ATOM 1189 C ASN A 77 -10.047 12.826 3.979 1.00 0.00 C ATOM 1190 O ASN A 77 -9.511 13.641 4.733 1.00 0.00 O ATOM 1191 CB ASN A 77 -9.052 10.707 4.895 1.00 0.00 C ATOM 1192 CG ASN A 77 -9.159 9.695 6.016 1.00 0.00 C ATOM 1193 OD1 ASN A 77 -8.631 9.936 7.100 1.00 0.00 O ATOM 1194 ND2 ASN A 77 -9.776 8.558 5.763 1.00 0.00 N ATOM 0 H ASN A 77 -10.471 9.811 3.204 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.011 11.552 5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.661 10.204 4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.321 11.463 5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.829 7.836 6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.200 8.400 4.849 1.00 0.00 H new ATOM 1201 N GLY A 78 -10.320 13.136 2.706 1.00 0.00 N ATOM 1202 CA GLY A 78 -10.086 14.440 2.088 1.00 0.00 C ATOM 1203 C GLY A 78 -8.660 14.650 1.565 1.00 0.00 C ATOM 1204 O GLY A 78 -8.258 15.789 1.329 1.00 0.00 O ATOM 0 H GLY A 78 -10.724 12.460 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.785 14.567 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.310 15.219 2.817 1.00 0.00 H new ATOM 1208 N LYS A 79 -7.861 13.591 1.421 1.00 0.00 N ATOM 1209 CA LYS A 79 -6.432 13.605 1.207 1.00 0.00 C ATOM 1210 C LYS A 79 -6.101 13.199 -0.224 1.00 0.00 C ATOM 1211 O LYS A 79 -6.902 12.573 -0.916 1.00 0.00 O ATOM 1212 CB LYS A 79 -5.820 12.600 2.194 1.00 0.00 C ATOM 1213 CG LYS A 79 -6.301 12.813 3.633 1.00 0.00 C ATOM 1214 CD LYS A 79 -5.565 11.962 4.678 1.00 0.00 C ATOM 1215 CE LYS A 79 -6.070 12.338 6.081 1.00 0.00 C ATOM 1216 NZ LYS A 79 -6.013 11.210 7.035 1.00 0.00 N ATOM 0 H LYS A 79 -8.231 12.641 1.455 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.031 14.606 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.072 11.588 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.734 12.683 2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.184 13.866 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.367 12.589 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.737 10.902 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.490 12.128 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.473 13.164 6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.098 12.694 6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.925 11.125 7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.814 10.329 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.259 11.382 7.731 1.00 0.00 H new ATOM 1230 N SER A 80 -4.878 13.499 -0.652 1.00 0.00 N ATOM 1231 CA SER A 80 -4.334 13.026 -1.911 1.00 0.00 C ATOM 1232 C SER A 80 -4.136 11.510 -1.858 1.00 0.00 C ATOM 1233 O SER A 80 -3.467 11.013 -0.947 1.00 0.00 O ATOM 1234 CB SER A 80 -3.007 13.751 -2.187 1.00 0.00 C ATOM 1235 OG SER A 80 -2.277 14.016 -0.992 1.00 0.00 O ATOM 0 H SER A 80 -4.232 14.086 -0.123 1.00 0.00 H new ATOM 0 HA SER A 80 -5.028 13.243 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.397 13.145 -2.856 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.209 14.690 -2.703 1.00 0.00 H new ATOM 0 HG SER A 80 -1.441 14.476 -1.215 1.00 0.00 H new ATOM 1241 N GLY A 81 -4.693 10.789 -2.833 1.00 0.00 N ATOM 1242 CA GLY A 81 -4.261 9.449 -3.199 1.00 0.00 C ATOM 1243 C GLY A 81 -2.956 9.571 -3.980 1.00 0.00 C ATOM 1244 O GLY A 81 -2.253 10.585 -3.894 1.00 0.00 O ATOM 0 H GLY A 81 -5.471 11.131 -3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.116 8.839 -2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.022 8.955 -3.803 1.00 0.00 H new ATOM 1248 N PHE A 82 -2.614 8.520 -4.724 1.00 0.00 N ATOM 1249 CA PHE A 82 -1.495 8.533 -5.642 1.00 0.00 C ATOM 1250 C PHE A 82 -1.694 9.601 -6.722 1.00 0.00 C ATOM 1251 O PHE A 82 -2.637 10.397 -6.719 1.00 0.00 O ATOM 1252 CB PHE A 82 -1.256 7.128 -6.248 1.00 0.00 C ATOM 1253 CG PHE A 82 -1.762 5.948 -5.464 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -0.955 5.375 -4.476 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -3.023 5.403 -5.745 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -1.429 4.276 -3.750 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.491 4.293 -5.023 1.00 0.00 C ATOM 1258 CZ PHE A 82 -2.690 3.730 -4.021 1.00 0.00 C ATOM 0 H PHE A 82 -3.115 7.632 -4.700 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.595 8.796 -5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.719 7.102 -7.235 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.183 7.001 -6.395 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.027 5.777 -4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.637 5.838 -6.520 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.816 3.845 -2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.463 3.876 -5.239 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.044 2.878 -3.459 1.00 0.00 H new ATOM 1268 N LYS A 83 -0.796 9.568 -7.699 1.00 0.00 N ATOM 1269 CA LYS A 83 -0.889 10.196 -8.990 1.00 0.00 C ATOM 1270 C LYS A 83 -2.310 10.131 -9.557 1.00 0.00 C ATOM 1271 O LYS A 83 -3.072 9.218 -9.244 1.00 0.00 O ATOM 1272 CB LYS A 83 0.074 9.410 -9.869 1.00 0.00 C ATOM 1273 CG LYS A 83 0.819 10.296 -10.891 1.00 0.00 C ATOM 1274 CD LYS A 83 1.962 11.120 -10.248 1.00 0.00 C ATOM 1275 CE LYS A 83 3.092 10.246 -9.666 1.00 0.00 C ATOM 1276 NZ LYS A 83 4.155 11.027 -8.989 1.00 0.00 N ATOM 0 H LYS A 83 0.081 9.059 -7.590 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.643 11.257 -8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.803 8.903 -9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.479 8.636 -10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.230 9.666 -11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.109 10.975 -11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.381 11.792 -10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.549 11.743 -9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.664 9.538 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.538 9.661 -10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.769 10.383 -8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.721 11.532 -9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.721 11.715 -8.341 1.00 0.00 H new ATOM 1290 N GLN A 84 -2.623 11.054 -10.468 1.00 0.00 N ATOM 1291 CA GLN A 84 -3.882 11.189 -11.169 1.00 0.00 C ATOM 1292 C GLN A 84 -4.121 10.106 -12.239 1.00 0.00 C ATOM 1293 O GLN A 84 -4.550 10.402 -13.356 1.00 0.00 O ATOM 1294 CB GLN A 84 -3.888 12.618 -11.741 1.00 0.00 C ATOM 1295 CG GLN A 84 -5.311 13.144 -11.906 1.00 0.00 C ATOM 1296 CD GLN A 84 -5.573 13.715 -13.299 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -5.752 14.914 -13.474 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -5.586 12.871 -14.317 1.00 0.00 N ATOM 0 H GLN A 84 -1.953 11.770 -10.748 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.717 11.034 -10.486 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.328 13.279 -11.079 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.380 12.628 -12.706 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.017 12.337 -11.710 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.496 13.917 -11.160 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.435 11.875 -14.156 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.747 13.216 -15.263 1.00 0.00 H new ATOM 1307 N GLY A 85 -3.832 8.867 -11.877 1.00 0.00 N ATOM 1308 CA GLY A 85 -4.308 7.635 -12.459 1.00 0.00 C ATOM 1309 C GLY A 85 -4.763 6.880 -11.235 1.00 0.00 C ATOM 1310 O GLY A 85 -5.951 7.006 -10.876 1.00 0.00 O ATOM 0 H GLY A 85 -3.200 8.688 -11.096 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.122 7.802 -13.164 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.523 7.106 -12.999 1.00 0.00 H new TER 1314 GLY A 85