USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 666 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 35 CYS SG : rot 36:sc= -0.83 USER MOD Set 1.2: A 69 SER OG : rot -89:sc= 1.35 USER MOD Set 1.3: A 71 THR OG1 : rot -52:sc= 0.56 USER MOD Set 2.1: A 45 MET CE :methyl 146:sc= -0.358 (180deg=-0.172) USER MOD Set 2.2: A 60 MET CE :methyl -127:sc= -0.406 (180deg=-1.39) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.152 (180deg=-0.167) USER MOD Single : A 2 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.8) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.0048 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc=-0.000829 X(o=-0.00083,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0683 USER MOD Single : A 16 GLN : amide:sc= -0.66 K(o=-0.66,f=-0.021) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.24 X(o=0.24,f=-0.043) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 160:sc= -0.196 USER MOD Single : A 38 THR OG1 : rot -76:sc= 0.721 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -149:sc= -0.541 (180deg=-1.71!) USER MOD Single : A 50 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.41) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.7 USER MOD Single : A 58 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.29) USER MOD Single : A 80 MET CE :methyl -164:sc= -0.764 (180deg=-1.52) USER MOD Single : A 81 MET CE :methyl 151:sc= -0.364 (180deg=-1.33) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= -0.0487 (180deg=-0.0672) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.952 5.629 9.204 1.00 0.00 N ATOM 2 CA MET A 1 -4.599 6.263 9.095 1.00 0.00 C ATOM 3 C MET A 1 -4.060 6.136 7.664 1.00 0.00 C ATOM 4 O MET A 1 -3.383 7.038 7.169 1.00 0.00 O ATOM 5 CB MET A 1 -3.624 5.603 10.088 1.00 0.00 C ATOM 6 CG MET A 1 -3.407 4.125 9.736 1.00 0.00 C ATOM 7 SD MET A 1 -2.066 3.454 10.751 1.00 0.00 S ATOM 8 CE MET A 1 -3.083 2.406 11.820 1.00 0.00 C ATOM 0 H1 MET A 1 -6.331 5.783 10.160 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.593 6.055 8.504 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.872 4.608 9.023 1.00 0.00 H new ATOM 0 HA MET A 1 -4.691 7.321 9.339 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.670 6.129 10.072 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.017 5.687 11.101 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.324 3.561 9.907 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.163 4.024 8.679 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.445 1.889 12.536 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.804 3.024 12.356 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.614 1.673 11.212 1.00 0.00 H new ATOM 20 N ASN A 2 -4.371 5.013 7.005 1.00 0.00 N ATOM 21 CA ASN A 2 -3.914 4.789 5.630 1.00 0.00 C ATOM 22 C ASN A 2 -5.093 4.871 4.651 1.00 0.00 C ATOM 23 O ASN A 2 -5.131 4.163 3.641 1.00 0.00 O ATOM 24 CB ASN A 2 -3.234 3.416 5.503 1.00 0.00 C ATOM 25 CG ASN A 2 -4.163 2.316 6.018 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.190 2.028 7.214 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.934 1.679 5.177 1.00 0.00 N ATOM 0 H ASN A 2 -4.930 4.255 7.396 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.192 5.567 5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.975 3.225 4.461 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.303 3.410 6.069 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.557 0.944 5.512 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.913 1.917 4.185 1.00 0.00 H new ATOM 34 N ASP A 3 -6.050 5.752 4.959 1.00 0.00 N ATOM 35 CA ASP A 3 -7.228 5.929 4.107 1.00 0.00 C ATOM 36 C ASP A 3 -7.148 7.254 3.336 1.00 0.00 C ATOM 37 O ASP A 3 -8.172 7.814 2.932 1.00 0.00 O ATOM 38 CB ASP A 3 -8.504 5.916 4.958 1.00 0.00 C ATOM 39 CG ASP A 3 -8.602 4.598 5.725 1.00 0.00 C ATOM 40 OD1 ASP A 3 -8.002 4.502 6.785 1.00 0.00 O ATOM 41 OD2 ASP A 3 -9.278 3.705 5.240 1.00 0.00 O ATOM 0 H ASP A 3 -6.032 6.349 5.786 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.256 5.105 3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.495 6.753 5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.379 6.042 4.320 1.00 0.00 H new ATOM 46 N ILE A 4 -5.922 7.744 3.126 1.00 0.00 N ATOM 47 CA ILE A 4 -5.721 9.000 2.396 1.00 0.00 C ATOM 48 C ILE A 4 -5.509 8.734 0.903 1.00 0.00 C ATOM 49 O ILE A 4 -5.866 9.560 0.062 1.00 0.00 O ATOM 50 CB ILE A 4 -4.529 9.804 2.960 1.00 0.00 C ATOM 51 CG1 ILE A 4 -3.186 9.095 2.661 1.00 0.00 C ATOM 52 CG2 ILE A 4 -4.706 9.999 4.471 1.00 0.00 C ATOM 53 CD1 ILE A 4 -2.920 7.952 3.651 1.00 0.00 C ATOM 0 H ILE A 4 -5.063 7.297 3.447 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.625 9.595 2.527 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.507 10.778 2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.200 8.701 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.372 9.818 2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.863 10.567 4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.631 10.543 4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.750 9.026 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.969 7.477 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.881 8.350 4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.721 7.216 3.581 1.00 0.00 H new ATOM 65 N TYR A 5 -4.941 7.565 0.584 1.00 0.00 N ATOM 66 CA TYR A 5 -4.704 7.193 -0.817 1.00 0.00 C ATOM 67 C TYR A 5 -6.039 6.928 -1.517 1.00 0.00 C ATOM 68 O TYR A 5 -6.212 7.249 -2.694 1.00 0.00 O ATOM 69 CB TYR A 5 -3.836 5.930 -0.927 1.00 0.00 C ATOM 70 CG TYR A 5 -2.752 5.952 0.125 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.793 6.971 0.128 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.718 4.954 1.106 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.804 6.993 1.110 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.725 4.974 2.088 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.767 5.993 2.092 1.00 0.00 C ATOM 76 OH TYR A 5 0.209 6.014 3.068 1.00 0.00 O ATOM 0 H TYR A 5 -4.640 6.869 1.266 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.180 8.022 -1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.455 5.042 -0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.389 5.872 -1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.819 7.740 -0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.459 4.169 1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.066 7.781 1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.697 4.203 2.844 1.00 0.00 H new ATOM 0 HH TYR A 5 0.088 5.249 3.668 1.00 0.00 H new ATOM 86 N LYS A 6 -6.980 6.337 -0.767 1.00 0.00 N ATOM 87 CA LYS A 6 -8.308 6.026 -1.305 1.00 0.00 C ATOM 88 C LYS A 6 -9.077 7.307 -1.645 1.00 0.00 C ATOM 89 O LYS A 6 -9.859 7.339 -2.596 1.00 0.00 O ATOM 90 CB LYS A 6 -9.122 5.210 -0.293 1.00 0.00 C ATOM 91 CG LYS A 6 -9.046 3.722 -0.652 1.00 0.00 C ATOM 92 CD LYS A 6 -7.797 3.100 -0.016 1.00 0.00 C ATOM 93 CE LYS A 6 -7.160 2.110 -0.995 1.00 0.00 C ATOM 94 NZ LYS A 6 -5.943 1.507 -0.378 1.00 0.00 N ATOM 0 H LYS A 6 -6.846 6.067 0.207 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.165 5.443 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.737 5.372 0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.160 5.542 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.940 3.207 -0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.013 3.600 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.082 3.881 0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.064 2.591 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.874 1.328 -1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.896 2.619 -1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.512 0.835 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.259 2.258 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.208 1.007 0.495 1.00 0.00 H new ATOM 108 N ALA A 7 -8.843 8.364 -0.860 1.00 0.00 N ATOM 109 CA ALA A 7 -9.515 9.646 -1.090 1.00 0.00 C ATOM 110 C ALA A 7 -9.063 10.275 -2.414 1.00 0.00 C ATOM 111 O ALA A 7 -9.803 11.043 -3.029 1.00 0.00 O ATOM 112 CB ALA A 7 -9.214 10.620 0.052 1.00 0.00 C ATOM 0 H ALA A 7 -8.200 8.358 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.587 9.452 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.721 11.567 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.568 10.198 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.139 10.789 0.112 1.00 0.00 H new ATOM 118 N ALA A 8 -7.841 9.940 -2.845 1.00 0.00 N ATOM 119 CA ALA A 8 -7.301 10.476 -4.096 1.00 0.00 C ATOM 120 C ALA A 8 -7.750 9.637 -5.293 1.00 0.00 C ATOM 121 O ALA A 8 -8.119 10.179 -6.336 1.00 0.00 O ATOM 122 CB ALA A 8 -5.774 10.496 -4.048 1.00 0.00 C ATOM 0 H ALA A 8 -7.214 9.306 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.680 11.491 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.386 10.897 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.444 11.124 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.401 9.482 -3.905 1.00 0.00 H new ATOM 128 N VAL A 9 -7.716 8.309 -5.131 1.00 0.00 N ATOM 129 CA VAL A 9 -8.121 7.400 -6.209 1.00 0.00 C ATOM 130 C VAL A 9 -9.622 7.542 -6.518 1.00 0.00 C ATOM 131 O VAL A 9 -10.072 7.205 -7.615 1.00 0.00 O ATOM 132 CB VAL A 9 -7.797 5.942 -5.842 1.00 0.00 C ATOM 133 CG1 VAL A 9 -8.733 5.453 -4.734 1.00 0.00 C ATOM 134 CG2 VAL A 9 -7.961 5.053 -7.079 1.00 0.00 C ATOM 0 H VAL A 9 -7.416 7.844 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.557 7.673 -7.101 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.768 5.889 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.492 4.420 -4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.608 6.078 -3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.766 5.512 -5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.731 4.020 -6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.988 5.116 -7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.281 5.389 -7.862 1.00 0.00 H new ATOM 144 N GLU A 10 -10.391 8.050 -5.546 1.00 0.00 N ATOM 145 CA GLU A 10 -11.827 8.238 -5.744 1.00 0.00 C ATOM 146 C GLU A 10 -12.117 9.537 -6.511 1.00 0.00 C ATOM 147 O GLU A 10 -13.212 9.710 -7.052 1.00 0.00 O ATOM 148 CB GLU A 10 -12.559 8.261 -4.394 1.00 0.00 C ATOM 149 CG GLU A 10 -12.198 9.532 -3.614 1.00 0.00 C ATOM 150 CD GLU A 10 -13.348 9.913 -2.687 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.363 10.370 -3.190 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.194 9.747 -1.487 1.00 0.00 O ATOM 0 H GLU A 10 -10.046 8.333 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.191 7.398 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.636 8.219 -4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.290 7.380 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.290 9.368 -3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.991 10.348 -4.306 1.00 0.00 H new ATOM 159 N GLN A 11 -11.134 10.453 -6.549 1.00 0.00 N ATOM 160 CA GLN A 11 -11.320 11.728 -7.251 1.00 0.00 C ATOM 161 C GLN A 11 -10.156 12.022 -8.213 1.00 0.00 C ATOM 162 O GLN A 11 -9.840 13.183 -8.483 1.00 0.00 O ATOM 163 CB GLN A 11 -11.449 12.876 -6.241 1.00 0.00 C ATOM 164 CG GLN A 11 -10.157 13.002 -5.427 1.00 0.00 C ATOM 165 CD GLN A 11 -10.371 13.982 -4.278 1.00 0.00 C ATOM 166 OE1 GLN A 11 -9.783 15.063 -4.261 1.00 0.00 O ATOM 167 NE2 GLN A 11 -11.186 13.668 -3.305 1.00 0.00 N ATOM 0 H GLN A 11 -10.221 10.336 -6.110 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.236 11.647 -7.837 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.652 13.811 -6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.292 12.693 -5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.864 12.027 -5.037 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.344 13.347 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.674 12.772 -3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.334 14.319 -2.533 1.00 0.00 H new ATOM 176 N LEU A 12 -9.531 10.962 -8.737 1.00 0.00 N ATOM 177 CA LEU A 12 -8.413 11.131 -9.678 1.00 0.00 C ATOM 178 C LEU A 12 -8.936 11.407 -11.091 1.00 0.00 C ATOM 179 O LEU A 12 -10.147 11.415 -11.329 1.00 0.00 O ATOM 180 CB LEU A 12 -7.505 9.887 -9.711 1.00 0.00 C ATOM 181 CG LEU A 12 -8.205 8.531 -9.552 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.355 8.405 -10.555 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.197 7.407 -9.797 1.00 0.00 C ATOM 0 H LEU A 12 -9.773 9.993 -8.532 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.827 11.981 -9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.963 9.884 -10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.763 9.984 -8.919 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.606 8.458 -8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.842 7.438 -10.430 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.079 9.201 -10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.964 8.486 -11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.693 6.443 -9.684 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.795 7.493 -10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.384 7.484 -9.075 1.00 0.00 H new ATOM 195 N THR A 13 -8.009 11.631 -12.027 1.00 0.00 N ATOM 196 CA THR A 13 -8.382 11.904 -13.416 1.00 0.00 C ATOM 197 C THR A 13 -8.450 10.607 -14.218 1.00 0.00 C ATOM 198 O THR A 13 -7.977 9.556 -13.777 1.00 0.00 O ATOM 199 CB THR A 13 -7.366 12.844 -14.091 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.128 12.809 -13.390 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.909 14.273 -14.099 1.00 0.00 C ATOM 0 H THR A 13 -7.004 11.629 -11.850 1.00 0.00 H new ATOM 0 HA THR A 13 -9.361 12.383 -13.399 1.00 0.00 H new ATOM 0 HB THR A 13 -7.205 12.512 -15.117 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.488 13.408 -13.827 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.186 14.934 -14.578 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.849 14.302 -14.651 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.080 14.603 -13.074 1.00 0.00 H new ATOM 209 N ASP A 14 -9.028 10.703 -15.416 1.00 0.00 N ATOM 210 CA ASP A 14 -9.141 9.545 -16.303 1.00 0.00 C ATOM 211 C ASP A 14 -7.767 9.187 -16.865 1.00 0.00 C ATOM 212 O ASP A 14 -7.474 8.019 -17.122 1.00 0.00 O ATOM 213 CB ASP A 14 -10.095 9.842 -17.463 1.00 0.00 C ATOM 214 CG ASP A 14 -11.526 9.925 -16.937 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.174 8.892 -16.873 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.952 11.019 -16.603 1.00 0.00 O ATOM 0 H ASP A 14 -9.423 11.565 -15.793 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.535 8.709 -15.725 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.818 10.780 -17.944 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.019 9.061 -18.219 1.00 0.00 H new ATOM 221 N GLU A 15 -6.923 10.213 -17.040 1.00 0.00 N ATOM 222 CA GLU A 15 -5.568 10.010 -17.560 1.00 0.00 C ATOM 223 C GLU A 15 -4.722 9.213 -16.560 1.00 0.00 C ATOM 224 O GLU A 15 -3.855 8.427 -16.951 1.00 0.00 O ATOM 225 CB GLU A 15 -4.897 11.362 -17.845 1.00 0.00 C ATOM 226 CG GLU A 15 -4.473 12.037 -16.533 1.00 0.00 C ATOM 227 CD GLU A 15 -4.305 13.537 -16.758 1.00 0.00 C ATOM 228 OE1 GLU A 15 -5.304 14.239 -16.708 1.00 0.00 O ATOM 229 OE2 GLU A 15 -3.181 13.962 -16.972 1.00 0.00 O ATOM 0 H GLU A 15 -7.154 11.184 -16.830 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.640 9.445 -18.490 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.026 11.215 -18.484 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.585 12.009 -18.388 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.222 11.857 -15.761 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.538 11.606 -16.177 1.00 0.00 H new ATOM 236 N GLN A 16 -5.000 9.414 -15.266 1.00 0.00 N ATOM 237 CA GLN A 16 -4.282 8.706 -14.208 1.00 0.00 C ATOM 238 C GLN A 16 -4.642 7.222 -14.248 1.00 0.00 C ATOM 239 O GLN A 16 -3.778 6.356 -14.092 1.00 0.00 O ATOM 240 CB GLN A 16 -4.654 9.278 -12.833 1.00 0.00 C ATOM 241 CG GLN A 16 -3.445 9.208 -11.894 1.00 0.00 C ATOM 242 CD GLN A 16 -3.765 8.309 -10.702 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.680 8.740 -9.552 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.133 7.071 -10.906 1.00 0.00 N ATOM 0 H GLN A 16 -5.715 10.060 -14.931 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.211 8.832 -14.369 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.985 10.311 -12.937 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.487 8.717 -12.410 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.579 8.821 -12.430 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.184 10.208 -11.547 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.205 6.710 -11.857 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.349 6.466 -10.114 1.00 0.00 H new ATOM 253 N LYS A 17 -5.931 6.946 -14.470 1.00 0.00 N ATOM 254 CA LYS A 17 -6.415 5.569 -14.545 1.00 0.00 C ATOM 255 C LYS A 17 -5.875 4.880 -15.800 1.00 0.00 C ATOM 256 O LYS A 17 -5.465 3.721 -15.754 1.00 0.00 O ATOM 257 CB LYS A 17 -7.948 5.536 -14.585 1.00 0.00 C ATOM 258 CG LYS A 17 -8.516 6.097 -13.277 1.00 0.00 C ATOM 259 CD LYS A 17 -9.884 6.733 -13.542 1.00 0.00 C ATOM 260 CE LYS A 17 -10.946 5.638 -13.680 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.250 6.251 -14.061 1.00 0.00 N ATOM 0 H LYS A 17 -6.652 7.655 -14.600 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.063 5.044 -13.657 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.311 6.121 -15.430 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.295 4.513 -14.733 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.611 5.301 -12.539 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.834 6.838 -12.861 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.147 7.407 -12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.847 7.333 -14.451 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.639 4.913 -14.434 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.048 5.096 -12.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.970 5.506 -14.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.544 6.926 -13.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.148 6.749 -14.968 1.00 0.00 H new ATOM 275 N ASN A 18 -5.882 5.610 -16.922 1.00 0.00 N ATOM 276 CA ASN A 18 -5.396 5.063 -18.196 1.00 0.00 C ATOM 277 C ASN A 18 -3.904 4.727 -18.127 1.00 0.00 C ATOM 278 O ASN A 18 -3.456 3.741 -18.716 1.00 0.00 O ATOM 279 CB ASN A 18 -5.626 6.060 -19.336 1.00 0.00 C ATOM 280 CG ASN A 18 -7.042 5.899 -19.878 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.375 4.871 -20.472 1.00 0.00 O ATOM 282 ND2 ASN A 18 -7.909 6.862 -19.710 1.00 0.00 N ATOM 0 H ASN A 18 -6.216 6.572 -16.975 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.958 4.149 -18.387 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.477 7.078 -18.978 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.900 5.892 -20.131 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.858 6.762 -20.070 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.637 7.714 -19.219 1.00 0.00 H new ATOM 289 N GLU A 19 -3.143 5.560 -17.407 1.00 0.00 N ATOM 290 CA GLU A 19 -1.698 5.351 -17.262 1.00 0.00 C ATOM 291 C GLU A 19 -1.398 3.925 -16.793 1.00 0.00 C ATOM 292 O GLU A 19 -0.558 3.231 -17.370 1.00 0.00 O ATOM 293 CB GLU A 19 -1.115 6.343 -16.246 1.00 0.00 C ATOM 294 CG GLU A 19 0.414 6.290 -16.296 1.00 0.00 C ATOM 295 CD GLU A 19 0.929 7.302 -17.316 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.906 6.990 -18.496 1.00 0.00 O ATOM 297 OE2 GLU A 19 1.341 8.374 -16.902 1.00 0.00 O ATOM 0 H GLU A 19 -3.501 6.380 -16.918 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.239 5.511 -18.238 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.461 7.352 -16.468 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.465 6.099 -15.243 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.828 6.508 -15.311 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.744 5.287 -16.565 1.00 0.00 H new ATOM 304 N PHE A 20 -2.095 3.505 -15.737 1.00 0.00 N ATOM 305 CA PHE A 20 -1.903 2.165 -15.182 1.00 0.00 C ATOM 306 C PHE A 20 -2.716 1.123 -15.950 1.00 0.00 C ATOM 307 O PHE A 20 -2.222 0.036 -16.241 1.00 0.00 O ATOM 308 CB PHE A 20 -2.341 2.132 -13.718 1.00 0.00 C ATOM 309 CG PHE A 20 -1.261 2.710 -12.837 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.189 1.911 -12.416 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.339 4.044 -12.427 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.800 2.446 -11.588 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.350 4.578 -11.599 1.00 0.00 C ATOM 314 CZ PHE A 20 0.719 3.781 -11.176 1.00 0.00 C ATOM 0 H PHE A 20 -2.793 4.069 -15.252 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.843 1.928 -15.267 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.264 2.699 -13.594 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.555 1.106 -13.418 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.128 0.880 -12.732 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.164 4.661 -12.751 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.627 1.830 -11.266 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.410 5.609 -11.284 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.481 4.195 -10.532 1.00 0.00 H new ATOM 324 N LYS A 21 -3.975 1.462 -16.257 1.00 0.00 N ATOM 325 CA LYS A 21 -4.872 0.544 -16.976 1.00 0.00 C ATOM 326 C LYS A 21 -4.229 0.009 -18.258 1.00 0.00 C ATOM 327 O LYS A 21 -4.456 -1.140 -18.635 1.00 0.00 O ATOM 328 CB LYS A 21 -6.188 1.250 -17.324 1.00 0.00 C ATOM 329 CG LYS A 21 -7.152 0.263 -17.992 1.00 0.00 C ATOM 330 CD LYS A 21 -7.254 0.581 -19.487 1.00 0.00 C ATOM 331 CE LYS A 21 -7.978 -0.560 -20.206 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.603 -0.044 -21.459 1.00 0.00 N ATOM 0 H LYS A 21 -4.395 2.361 -16.021 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.069 -0.300 -16.315 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.641 1.658 -16.421 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.994 2.090 -17.991 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.800 -0.759 -17.850 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.136 0.328 -17.527 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.793 1.517 -19.634 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.258 0.717 -19.909 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.275 -1.360 -20.440 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.741 -0.987 -19.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.095 -0.820 -21.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.285 0.705 -21.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.865 0.343 -22.081 1.00 0.00 H new ATOM 346 N ALA A 22 -3.428 0.847 -18.924 1.00 0.00 N ATOM 347 CA ALA A 22 -2.762 0.435 -20.162 1.00 0.00 C ATOM 348 C ALA A 22 -1.851 -0.768 -19.909 1.00 0.00 C ATOM 349 O ALA A 22 -2.000 -1.819 -20.537 1.00 0.00 O ATOM 350 CB ALA A 22 -1.929 1.588 -20.727 1.00 0.00 C ATOM 0 H ALA A 22 -3.227 1.803 -18.631 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.531 0.156 -20.882 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.440 1.267 -21.647 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.579 2.437 -20.939 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.174 1.882 -19.998 1.00 0.00 H new ATOM 356 N ALA A 23 -0.918 -0.602 -18.968 1.00 0.00 N ATOM 357 CA ALA A 23 0.012 -1.677 -18.613 1.00 0.00 C ATOM 358 C ALA A 23 -0.744 -2.827 -17.946 1.00 0.00 C ATOM 359 O ALA A 23 -0.425 -3.999 -18.147 1.00 0.00 O ATOM 360 CB ALA A 23 1.089 -1.159 -17.653 1.00 0.00 C ATOM 0 H ALA A 23 -0.787 0.261 -18.441 1.00 0.00 H new ATOM 0 HA ALA A 23 0.487 -2.033 -19.527 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.771 -1.970 -17.400 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.645 -0.353 -18.131 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.617 -0.785 -16.745 1.00 0.00 H new ATOM 366 N PHE A 24 -1.758 -2.471 -17.156 1.00 0.00 N ATOM 367 CA PHE A 24 -2.573 -3.465 -16.457 1.00 0.00 C ATOM 368 C PHE A 24 -3.277 -4.394 -17.448 1.00 0.00 C ATOM 369 O PHE A 24 -3.316 -5.605 -17.248 1.00 0.00 O ATOM 370 CB PHE A 24 -3.638 -2.764 -15.603 1.00 0.00 C ATOM 371 CG PHE A 24 -4.156 -3.703 -14.537 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.110 -4.675 -14.859 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.689 -3.593 -13.223 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.593 -5.535 -13.868 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.170 -4.453 -12.234 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.124 -5.422 -12.554 1.00 0.00 C ATOM 0 H PHE A 24 -2.034 -1.504 -16.985 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.909 -4.053 -15.824 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.214 -1.874 -15.138 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.461 -2.432 -16.236 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.473 -4.761 -15.873 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.955 -2.841 -12.973 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.328 -6.286 -14.116 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.804 -4.369 -11.221 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.500 -6.084 -11.788 1.00 0.00 H new ATOM 386 N ASP A 25 -3.845 -3.808 -18.508 1.00 0.00 N ATOM 387 CA ASP A 25 -4.572 -4.591 -19.514 1.00 0.00 C ATOM 388 C ASP A 25 -3.659 -5.567 -20.264 1.00 0.00 C ATOM 389 O ASP A 25 -4.056 -6.698 -20.551 1.00 0.00 O ATOM 390 CB ASP A 25 -5.243 -3.663 -20.532 1.00 0.00 C ATOM 391 CG ASP A 25 -6.592 -4.247 -20.940 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.619 -5.023 -21.882 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.577 -3.911 -20.303 1.00 0.00 O ATOM 0 H ASP A 25 -3.816 -2.805 -18.691 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.323 -5.169 -18.975 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.379 -2.671 -20.101 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.606 -3.545 -21.408 1.00 0.00 H new ATOM 398 N ILE A 26 -2.446 -5.117 -20.596 1.00 0.00 N ATOM 399 CA ILE A 26 -1.498 -5.964 -21.338 1.00 0.00 C ATOM 400 C ILE A 26 -0.892 -7.049 -20.442 1.00 0.00 C ATOM 401 O ILE A 26 -0.642 -8.167 -20.898 1.00 0.00 O ATOM 402 CB ILE A 26 -0.369 -5.121 -21.955 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.365 -4.337 -20.860 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.968 -4.141 -22.968 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.516 -3.536 -21.470 1.00 0.00 C ATOM 0 H ILE A 26 -2.097 -4.186 -20.369 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.062 -6.446 -22.137 1.00 0.00 H new ATOM 0 HB ILE A 26 0.340 -5.782 -22.453 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.329 -3.665 -20.356 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.749 -5.024 -20.105 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.172 -3.541 -23.408 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.480 -4.697 -23.753 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.679 -3.486 -22.464 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.031 -2.983 -20.684 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.217 -4.217 -21.954 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.122 -2.837 -22.207 1.00 0.00 H new ATOM 417 N PHE A 27 -0.650 -6.712 -19.172 1.00 0.00 N ATOM 418 CA PHE A 27 -0.062 -7.674 -18.233 1.00 0.00 C ATOM 419 C PHE A 27 -1.089 -8.724 -17.791 1.00 0.00 C ATOM 420 O PHE A 27 -0.740 -9.892 -17.601 1.00 0.00 O ATOM 421 CB PHE A 27 0.513 -6.953 -17.005 1.00 0.00 C ATOM 422 CG PHE A 27 1.688 -6.088 -17.427 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.558 -6.522 -18.440 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.900 -4.847 -16.814 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.633 -5.718 -18.834 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.978 -4.044 -17.211 1.00 0.00 C ATOM 427 CZ PHE A 27 3.841 -4.479 -18.221 1.00 0.00 C ATOM 0 H PHE A 27 -0.848 -5.794 -18.774 1.00 0.00 H new ATOM 0 HA PHE A 27 0.747 -8.186 -18.754 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.256 -6.337 -16.539 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.833 -7.681 -16.260 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.397 -7.478 -18.916 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.233 -4.509 -16.035 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.302 -6.055 -19.612 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.142 -3.088 -16.736 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.669 -3.857 -18.528 1.00 0.00 H new ATOM 437 N ILE A 28 -2.357 -8.315 -17.651 1.00 0.00 N ATOM 438 CA ILE A 28 -3.413 -9.262 -17.252 1.00 0.00 C ATOM 439 C ILE A 28 -4.143 -9.833 -18.483 1.00 0.00 C ATOM 440 O ILE A 28 -5.124 -10.566 -18.344 1.00 0.00 O ATOM 441 CB ILE A 28 -4.444 -8.598 -16.317 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.286 -7.570 -17.090 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.722 -7.899 -15.163 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.594 -8.216 -17.550 1.00 0.00 C ATOM 0 H ILE A 28 -2.675 -7.358 -17.803 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.921 -10.074 -16.717 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.103 -9.371 -15.922 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.498 -6.709 -16.456 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.728 -7.203 -17.951 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.455 -7.431 -14.505 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.143 -8.631 -14.599 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.053 -7.136 -15.561 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.188 -7.484 -18.098 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.373 -9.063 -18.199 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.154 -8.562 -16.681 1.00 0.00 H new ATOM 456 N GLN A 29 -3.651 -9.492 -19.685 1.00 0.00 N ATOM 457 CA GLN A 29 -4.254 -9.967 -20.936 1.00 0.00 C ATOM 458 C GLN A 29 -4.420 -11.492 -20.942 1.00 0.00 C ATOM 459 O GLN A 29 -5.425 -12.014 -21.429 1.00 0.00 O ATOM 460 CB GLN A 29 -3.372 -9.556 -22.123 1.00 0.00 C ATOM 461 CG GLN A 29 -3.944 -10.125 -23.426 1.00 0.00 C ATOM 462 CD GLN A 29 -3.148 -9.585 -24.610 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.442 -10.335 -25.284 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.221 -8.315 -24.908 1.00 0.00 N ATOM 0 H GLN A 29 -2.838 -8.890 -19.814 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.242 -9.514 -21.021 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.316 -8.469 -22.185 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.355 -9.920 -21.974 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.899 -11.214 -23.410 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.994 -9.851 -23.525 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.806 -7.693 -24.350 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.693 -7.946 -25.699 1.00 0.00 H new ATOM 473 N ASP A 30 -3.421 -12.194 -20.406 1.00 0.00 N ATOM 474 CA ASP A 30 -3.456 -13.662 -20.367 1.00 0.00 C ATOM 475 C ASP A 30 -3.991 -14.192 -19.027 1.00 0.00 C ATOM 476 O ASP A 30 -4.105 -15.406 -18.840 1.00 0.00 O ATOM 477 CB ASP A 30 -2.052 -14.229 -20.600 1.00 0.00 C ATOM 478 CG ASP A 30 -1.672 -14.074 -22.070 1.00 0.00 C ATOM 479 OD1 ASP A 30 -1.195 -13.009 -22.431 1.00 0.00 O ATOM 480 OD2 ASP A 30 -1.863 -15.022 -22.814 1.00 0.00 O ATOM 0 H ASP A 30 -2.585 -11.778 -19.996 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.132 -13.987 -21.158 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.330 -13.708 -19.971 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.022 -15.281 -20.316 1.00 0.00 H new ATOM 485 N ALA A 31 -4.329 -13.285 -18.102 1.00 0.00 N ATOM 486 CA ALA A 31 -4.857 -13.694 -16.801 1.00 0.00 C ATOM 487 C ALA A 31 -6.378 -13.580 -16.784 1.00 0.00 C ATOM 488 O ALA A 31 -6.961 -12.726 -17.458 1.00 0.00 O ATOM 489 CB ALA A 31 -4.282 -12.825 -15.681 1.00 0.00 C ATOM 0 H ALA A 31 -4.247 -12.276 -18.230 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.564 -14.731 -16.636 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.690 -13.149 -14.723 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.197 -12.923 -15.665 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.549 -11.783 -15.855 1.00 0.00 H new ATOM 495 N GLU A 32 -7.009 -14.447 -15.996 1.00 0.00 N ATOM 496 CA GLU A 32 -8.469 -14.446 -15.877 1.00 0.00 C ATOM 497 C GLU A 32 -8.874 -14.170 -14.426 1.00 0.00 C ATOM 498 O GLU A 32 -9.750 -14.837 -13.868 1.00 0.00 O ATOM 499 CB GLU A 32 -9.045 -15.793 -16.330 1.00 0.00 C ATOM 500 CG GLU A 32 -9.022 -15.873 -17.860 1.00 0.00 C ATOM 501 CD GLU A 32 -9.491 -17.253 -18.310 1.00 0.00 C ATOM 502 OE1 GLU A 32 -10.687 -17.421 -18.489 1.00 0.00 O ATOM 503 OE2 GLU A 32 -8.649 -18.122 -18.468 1.00 0.00 O ATOM 0 H GLU A 32 -6.538 -15.156 -15.433 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.870 -13.661 -16.518 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.463 -16.610 -15.904 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.066 -15.905 -15.965 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.667 -15.103 -18.284 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.014 -15.683 -18.229 1.00 0.00 H new ATOM 510 N ASP A 33 -8.216 -13.177 -13.823 1.00 0.00 N ATOM 511 CA ASP A 33 -8.498 -12.807 -12.435 1.00 0.00 C ATOM 512 C ASP A 33 -8.706 -11.298 -12.306 1.00 0.00 C ATOM 513 O ASP A 33 -9.665 -10.846 -11.677 1.00 0.00 O ATOM 514 CB ASP A 33 -7.341 -13.233 -11.524 1.00 0.00 C ATOM 515 CG ASP A 33 -7.349 -14.750 -11.362 1.00 0.00 C ATOM 516 OD1 ASP A 33 -6.723 -15.416 -12.171 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.982 -15.225 -10.433 1.00 0.00 O ATOM 0 H ASP A 33 -7.489 -12.618 -14.271 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.410 -13.320 -12.132 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.391 -12.908 -11.949 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.436 -12.753 -10.550 1.00 0.00 H new ATOM 522 N GLY A 34 -7.795 -10.526 -12.904 1.00 0.00 N ATOM 523 CA GLY A 34 -7.878 -9.067 -12.850 1.00 0.00 C ATOM 524 C GLY A 34 -6.786 -8.496 -11.948 1.00 0.00 C ATOM 525 O GLY A 34 -7.036 -7.592 -11.150 1.00 0.00 O ATOM 0 H GLY A 34 -6.997 -10.885 -13.428 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.779 -8.655 -13.854 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.858 -8.767 -12.478 1.00 0.00 H new ATOM 529 N CYS A 35 -5.573 -9.040 -12.089 1.00 0.00 N ATOM 530 CA CYS A 35 -4.432 -8.589 -11.287 1.00 0.00 C ATOM 531 C CYS A 35 -3.121 -8.868 -12.017 1.00 0.00 C ATOM 532 O CYS A 35 -3.013 -9.826 -12.787 1.00 0.00 O ATOM 533 CB CYS A 35 -4.389 -9.315 -9.940 1.00 0.00 C ATOM 534 SG CYS A 35 -5.310 -8.375 -8.700 1.00 0.00 S ATOM 0 H CYS A 35 -5.357 -9.789 -12.747 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.553 -7.518 -11.125 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.815 -10.313 -10.042 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.355 -9.441 -9.619 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.347 -7.822 -9.256 1.00 0.00 H new ATOM 540 N ILE A 36 -2.123 -8.031 -11.745 1.00 0.00 N ATOM 541 CA ILE A 36 -0.805 -8.201 -12.362 1.00 0.00 C ATOM 542 C ILE A 36 0.120 -8.961 -11.405 1.00 0.00 C ATOM 543 O ILE A 36 -0.236 -9.221 -10.254 1.00 0.00 O ATOM 544 CB ILE A 36 -0.173 -6.843 -12.728 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.267 -6.098 -11.459 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.187 -5.987 -13.495 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.790 -6.189 -11.312 1.00 0.00 C ATOM 0 H ILE A 36 -2.197 -7.237 -11.110 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.935 -8.771 -13.282 1.00 0.00 H new ATOM 0 HB ILE A 36 0.700 -7.024 -13.355 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.042 -5.054 -11.512 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.219 -6.530 -10.584 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.735 -5.029 -13.751 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.483 -6.504 -14.408 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.066 -5.819 -12.872 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.101 -5.660 -10.411 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.087 -7.235 -11.239 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.267 -5.737 -12.181 1.00 0.00 H new ATOM 559 N SER A 37 1.308 -9.315 -11.896 1.00 0.00 N ATOM 560 CA SER A 37 2.276 -10.045 -11.076 1.00 0.00 C ATOM 561 C SER A 37 3.218 -9.082 -10.359 1.00 0.00 C ATOM 562 O SER A 37 4.046 -8.421 -10.988 1.00 0.00 O ATOM 563 CB SER A 37 3.100 -11.001 -11.943 1.00 0.00 C ATOM 564 OG SER A 37 3.306 -12.217 -11.237 1.00 0.00 O ATOM 0 H SER A 37 1.621 -9.112 -12.845 1.00 0.00 H new ATOM 0 HA SER A 37 1.718 -10.616 -10.334 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.582 -11.196 -12.882 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.058 -10.547 -12.195 1.00 0.00 H new ATOM 0 HG SER A 37 3.537 -12.928 -11.871 1.00 0.00 H new ATOM 570 N THR A 38 3.084 -9.015 -9.028 1.00 0.00 N ATOM 571 CA THR A 38 3.935 -8.138 -8.210 1.00 0.00 C ATOM 572 C THR A 38 5.413 -8.411 -8.493 1.00 0.00 C ATOM 573 O THR A 38 6.228 -7.489 -8.545 1.00 0.00 O ATOM 574 CB THR A 38 3.676 -8.356 -6.714 1.00 0.00 C ATOM 575 OG1 THR A 38 3.887 -9.724 -6.386 1.00 0.00 O ATOM 576 CG2 THR A 38 2.237 -7.968 -6.383 1.00 0.00 C ATOM 0 H THR A 38 2.400 -9.553 -8.497 1.00 0.00 H new ATOM 0 HA THR A 38 3.689 -7.109 -8.473 1.00 0.00 H new ATOM 0 HB THR A 38 4.361 -7.736 -6.135 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.123 -10.256 -6.694 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.054 -8.123 -5.320 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.077 -6.918 -6.629 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.551 -8.585 -6.963 1.00 0.00 H new ATOM 584 N LYS A 39 5.746 -9.691 -8.683 1.00 0.00 N ATOM 585 CA LYS A 39 7.130 -10.083 -8.975 1.00 0.00 C ATOM 586 C LYS A 39 7.598 -9.474 -10.304 1.00 0.00 C ATOM 587 O LYS A 39 8.788 -9.215 -10.494 1.00 0.00 O ATOM 588 CB LYS A 39 7.267 -11.612 -9.036 1.00 0.00 C ATOM 589 CG LYS A 39 6.433 -12.175 -10.195 1.00 0.00 C ATOM 590 CD LYS A 39 5.827 -13.521 -9.786 1.00 0.00 C ATOM 591 CE LYS A 39 6.895 -14.616 -9.874 1.00 0.00 C ATOM 592 NZ LYS A 39 6.793 -15.510 -8.684 1.00 0.00 N ATOM 0 H LYS A 39 5.085 -10.467 -8.641 1.00 0.00 H new ATOM 0 HA LYS A 39 7.757 -9.704 -8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.314 -11.885 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.937 -12.051 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.642 -11.474 -10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.058 -12.300 -11.079 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.436 -13.461 -8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.987 -13.765 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.763 -15.194 -10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.887 -14.168 -9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.518 -16.253 -8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.939 -14.953 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.850 -15.948 -8.659 1.00 0.00 H new ATOM 606 N GLU A 40 6.644 -9.241 -11.217 1.00 0.00 N ATOM 607 CA GLU A 40 6.961 -8.652 -12.520 1.00 0.00 C ATOM 608 C GLU A 40 6.594 -7.160 -12.563 1.00 0.00 C ATOM 609 O GLU A 40 6.417 -6.588 -13.641 1.00 0.00 O ATOM 610 CB GLU A 40 6.207 -9.386 -13.636 1.00 0.00 C ATOM 611 CG GLU A 40 6.798 -10.787 -13.823 1.00 0.00 C ATOM 612 CD GLU A 40 8.206 -10.680 -14.409 1.00 0.00 C ATOM 613 OE1 GLU A 40 8.316 -10.414 -15.594 1.00 0.00 O ATOM 614 OE2 GLU A 40 9.152 -10.867 -13.660 1.00 0.00 O ATOM 0 H GLU A 40 5.656 -9.450 -11.076 1.00 0.00 H new ATOM 0 HA GLU A 40 8.035 -8.754 -12.672 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.148 -9.458 -13.387 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.278 -8.824 -14.567 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.831 -11.309 -12.867 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.162 -11.375 -14.485 1.00 0.00 H new ATOM 621 N LEU A 41 6.491 -6.531 -11.380 1.00 0.00 N ATOM 622 CA LEU A 41 6.159 -5.101 -11.294 1.00 0.00 C ATOM 623 C LEU A 41 7.131 -4.260 -12.133 1.00 0.00 C ATOM 624 O LEU A 41 6.759 -3.212 -12.655 1.00 0.00 O ATOM 625 CB LEU A 41 6.220 -4.622 -9.838 1.00 0.00 C ATOM 626 CG LEU A 41 5.183 -3.561 -9.436 1.00 0.00 C ATOM 627 CD1 LEU A 41 5.483 -2.243 -10.152 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.775 -4.034 -9.813 1.00 0.00 C ATOM 0 H LEU A 41 6.632 -6.986 -10.478 1.00 0.00 H new ATOM 0 HA LEU A 41 5.148 -4.975 -11.681 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.098 -5.487 -9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.215 -4.219 -9.650 1.00 0.00 H new ATOM 0 HG LEU A 41 5.236 -3.409 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.744 -1.495 -9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.478 -1.896 -9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.440 -2.397 -11.230 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.047 -3.276 -9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.722 -4.197 -10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.553 -4.966 -9.294 1.00 0.00 H new ATOM 640 N GLY A 42 8.379 -4.737 -12.260 1.00 0.00 N ATOM 641 CA GLY A 42 9.396 -4.028 -13.045 1.00 0.00 C ATOM 642 C GLY A 42 8.924 -3.789 -14.483 1.00 0.00 C ATOM 643 O GLY A 42 9.230 -2.756 -15.081 1.00 0.00 O ATOM 0 H GLY A 42 8.704 -5.604 -11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.623 -3.073 -12.571 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.320 -4.607 -13.055 1.00 0.00 H new ATOM 647 N LYS A 43 8.166 -4.753 -15.024 1.00 0.00 N ATOM 648 CA LYS A 43 7.642 -4.639 -16.391 1.00 0.00 C ATOM 649 C LYS A 43 6.649 -3.478 -16.503 1.00 0.00 C ATOM 650 O LYS A 43 6.492 -2.887 -17.571 1.00 0.00 O ATOM 651 CB LYS A 43 6.933 -5.933 -16.810 1.00 0.00 C ATOM 652 CG LYS A 43 7.935 -7.091 -16.837 1.00 0.00 C ATOM 653 CD LYS A 43 8.622 -7.150 -18.205 1.00 0.00 C ATOM 654 CE LYS A 43 8.914 -8.609 -18.571 1.00 0.00 C ATOM 655 NZ LYS A 43 10.256 -9.000 -18.047 1.00 0.00 N ATOM 0 H LYS A 43 7.904 -5.612 -14.541 1.00 0.00 H new ATOM 0 HA LYS A 43 8.491 -4.455 -17.050 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.124 -6.157 -16.114 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.481 -5.808 -17.794 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.679 -6.959 -16.051 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.423 -8.032 -16.636 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.985 -6.695 -18.963 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.549 -6.578 -18.183 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.146 -9.260 -18.153 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.884 -8.736 -19.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.451 -9.990 -18.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.984 -8.387 -18.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.269 -8.895 -17.012 1.00 0.00 H new ATOM 669 N VAL A 44 5.989 -3.149 -15.386 1.00 0.00 N ATOM 670 CA VAL A 44 5.024 -2.045 -15.368 1.00 0.00 C ATOM 671 C VAL A 44 5.729 -0.754 -14.942 1.00 0.00 C ATOM 672 O VAL A 44 5.373 0.335 -15.390 1.00 0.00 O ATOM 673 CB VAL A 44 3.814 -2.344 -14.437 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.739 -3.842 -14.113 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.919 -1.561 -13.121 1.00 0.00 C ATOM 0 H VAL A 44 6.104 -3.626 -14.492 1.00 0.00 H new ATOM 0 HA VAL A 44 4.627 -1.926 -16.376 1.00 0.00 H new ATOM 0 HB VAL A 44 2.914 -2.035 -14.968 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.886 -4.031 -13.461 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.622 -4.409 -15.037 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.655 -4.152 -13.611 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.059 -1.791 -12.491 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.835 -1.843 -12.602 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.937 -0.492 -13.334 1.00 0.00 H new ATOM 685 N MET A 45 6.748 -0.895 -14.080 1.00 0.00 N ATOM 686 CA MET A 45 7.514 0.257 -13.612 1.00 0.00 C ATOM 687 C MET A 45 8.170 0.956 -14.797 1.00 0.00 C ATOM 688 O MET A 45 8.185 2.183 -14.873 1.00 0.00 O ATOM 689 CB MET A 45 8.602 -0.177 -12.623 1.00 0.00 C ATOM 690 CG MET A 45 7.993 -0.345 -11.231 1.00 0.00 C ATOM 691 SD MET A 45 8.159 1.202 -10.303 1.00 0.00 S ATOM 692 CE MET A 45 6.401 1.451 -9.955 1.00 0.00 C ATOM 0 H MET A 45 7.054 -1.790 -13.699 1.00 0.00 H new ATOM 0 HA MET A 45 6.829 0.939 -13.108 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.051 -1.115 -12.950 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.399 0.566 -12.595 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.941 -0.620 -11.314 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.493 -1.155 -10.700 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.286 1.921 -8.978 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.966 2.094 -10.720 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.890 0.488 -9.957 1.00 0.00 H new ATOM 702 N ARG A 46 8.695 0.156 -15.736 1.00 0.00 N ATOM 703 CA ARG A 46 9.335 0.711 -16.932 1.00 0.00 C ATOM 704 C ARG A 46 8.309 1.473 -17.780 1.00 0.00 C ATOM 705 O ARG A 46 8.634 2.485 -18.405 1.00 0.00 O ATOM 706 CB ARG A 46 9.989 -0.395 -17.776 1.00 0.00 C ATOM 707 CG ARG A 46 8.955 -1.459 -18.163 1.00 0.00 C ATOM 708 CD ARG A 46 9.411 -2.186 -19.432 1.00 0.00 C ATOM 709 NE ARG A 46 10.538 -3.078 -19.146 1.00 0.00 N ATOM 710 CZ ARG A 46 10.902 -4.051 -19.995 1.00 0.00 C ATOM 711 NH1 ARG A 46 10.249 -4.243 -21.117 1.00 0.00 N ATOM 712 NH2 ARG A 46 11.920 -4.819 -19.700 1.00 0.00 N ATOM 0 H ARG A 46 8.689 -0.863 -15.690 1.00 0.00 H new ATOM 0 HA ARG A 46 10.114 1.400 -16.605 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.428 0.037 -18.675 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.801 -0.856 -17.215 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.831 -2.173 -17.348 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.984 -0.993 -18.329 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.582 -2.761 -19.844 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.701 -1.458 -20.189 1.00 0.00 H new ATOM 0 HE ARG A 46 11.060 -2.956 -18.278 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.454 -3.649 -21.353 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.536 -4.986 -21.754 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.431 -4.676 -18.829 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.202 -5.561 -20.341 1.00 0.00 H new ATOM 726 N MET A 47 7.059 0.990 -17.770 1.00 0.00 N ATOM 727 CA MET A 47 5.979 1.644 -18.513 1.00 0.00 C ATOM 728 C MET A 47 5.624 2.980 -17.852 1.00 0.00 C ATOM 729 O MET A 47 5.274 3.948 -18.529 1.00 0.00 O ATOM 730 CB MET A 47 4.731 0.753 -18.544 1.00 0.00 C ATOM 731 CG MET A 47 4.614 0.067 -19.909 1.00 0.00 C ATOM 732 SD MET A 47 5.948 -1.144 -20.101 1.00 0.00 S ATOM 733 CE MET A 47 6.978 -0.178 -21.233 1.00 0.00 C ATOM 0 H MET A 47 6.774 0.155 -17.259 1.00 0.00 H new ATOM 0 HA MET A 47 6.321 1.817 -19.533 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.789 0.004 -17.754 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.841 1.352 -18.351 1.00 0.00 H new ATOM 0 HG2 MET A 47 3.646 -0.427 -19.997 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.666 0.809 -20.705 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.521 -0.852 -21.896 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.346 0.483 -21.826 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.689 0.417 -20.660 1.00 0.00 H new ATOM 743 N LEU A 48 5.734 3.018 -16.518 1.00 0.00 N ATOM 744 CA LEU A 48 5.442 4.234 -15.755 1.00 0.00 C ATOM 745 C LEU A 48 6.597 5.236 -15.882 1.00 0.00 C ATOM 746 O LEU A 48 6.385 6.450 -15.850 1.00 0.00 O ATOM 747 CB LEU A 48 5.246 3.893 -14.273 1.00 0.00 C ATOM 748 CG LEU A 48 3.805 3.577 -13.838 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.151 2.608 -14.830 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.830 2.935 -12.446 1.00 0.00 C ATOM 0 H LEU A 48 6.022 2.223 -15.948 1.00 0.00 H new ATOM 0 HA LEU A 48 4.530 4.676 -16.157 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.873 3.035 -14.032 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.609 4.730 -13.677 1.00 0.00 H new ATOM 0 HG LEU A 48 3.229 4.502 -13.814 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.131 2.393 -14.510 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.132 3.060 -15.822 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.724 1.681 -14.865 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.811 2.708 -12.131 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.412 2.014 -12.480 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.284 3.625 -11.735 1.00 0.00 H new ATOM 762 N GLY A 49 7.818 4.707 -16.028 1.00 0.00 N ATOM 763 CA GLY A 49 9.010 5.550 -16.163 1.00 0.00 C ATOM 764 C GLY A 49 9.989 5.331 -15.002 1.00 0.00 C ATOM 765 O GLY A 49 10.712 6.250 -14.612 1.00 0.00 O ATOM 0 H GLY A 49 8.005 3.705 -16.055 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.508 5.329 -17.107 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.713 6.598 -16.197 1.00 0.00 H new ATOM 769 N GLN A 50 10.005 4.109 -14.457 1.00 0.00 N ATOM 770 CA GLN A 50 10.897 3.777 -13.340 1.00 0.00 C ATOM 771 C GLN A 50 11.634 2.465 -13.613 1.00 0.00 C ATOM 772 O GLN A 50 11.165 1.623 -14.382 1.00 0.00 O ATOM 773 CB GLN A 50 10.102 3.628 -12.034 1.00 0.00 C ATOM 774 CG GLN A 50 9.146 4.815 -11.851 1.00 0.00 C ATOM 775 CD GLN A 50 9.941 6.084 -11.552 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.855 6.075 -10.725 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.641 7.190 -12.178 1.00 0.00 N ATOM 0 H GLN A 50 9.414 3.338 -14.769 1.00 0.00 H new ATOM 0 HA GLN A 50 11.615 4.591 -13.240 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.536 2.696 -12.049 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.787 3.571 -11.188 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.549 4.954 -12.752 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.451 4.611 -11.036 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.885 7.200 -12.863 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.163 8.044 -11.982 1.00 0.00 H new ATOM 786 N ASN A 51 12.793 2.297 -12.969 1.00 0.00 N ATOM 787 CA ASN A 51 13.587 1.078 -13.145 1.00 0.00 C ATOM 788 C ASN A 51 14.310 0.708 -11.842 1.00 0.00 C ATOM 789 O ASN A 51 15.530 0.849 -11.729 1.00 0.00 O ATOM 790 CB ASN A 51 14.614 1.268 -14.269 1.00 0.00 C ATOM 791 CG ASN A 51 15.017 -0.093 -14.829 1.00 0.00 C ATOM 792 OD1 ASN A 51 14.256 -0.716 -15.570 1.00 0.00 O ATOM 793 ND2 ASN A 51 16.181 -0.598 -14.516 1.00 0.00 N ATOM 0 H ASN A 51 13.198 2.980 -12.329 1.00 0.00 H new ATOM 0 HA ASN A 51 12.909 0.268 -13.413 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.192 1.888 -15.060 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.492 1.791 -13.889 1.00 0.00 H new ATOM 0 HD21 ASN A 51 16.458 -1.507 -14.885 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.812 -0.083 -13.902 1.00 0.00 H new ATOM 800 N PRO A 52 13.555 0.232 -10.841 1.00 0.00 N ATOM 801 CA PRO A 52 14.120 -0.160 -9.533 1.00 0.00 C ATOM 802 C PRO A 52 14.660 -1.598 -9.531 1.00 0.00 C ATOM 803 O PRO A 52 14.929 -2.176 -10.587 1.00 0.00 O ATOM 804 CB PRO A 52 12.904 -0.034 -8.619 1.00 0.00 C ATOM 805 CG PRO A 52 11.668 -0.195 -9.494 1.00 0.00 C ATOM 806 CD PRO A 52 12.091 0.058 -10.944 1.00 0.00 C ATOM 0 HA PRO A 52 14.975 0.448 -9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.927 -0.796 -7.840 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.898 0.934 -8.118 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.250 -1.196 -9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.892 0.509 -9.193 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.829 -0.778 -11.592 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.608 0.944 -11.356 1.00 0.00 H new ATOM 814 N THR A 53 14.805 -2.164 -8.330 1.00 0.00 N ATOM 815 CA THR A 53 15.302 -3.535 -8.177 1.00 0.00 C ATOM 816 C THR A 53 14.141 -4.448 -7.761 1.00 0.00 C ATOM 817 O THR A 53 13.042 -3.962 -7.482 1.00 0.00 O ATOM 818 CB THR A 53 16.418 -3.585 -7.111 1.00 0.00 C ATOM 819 OG1 THR A 53 15.845 -3.695 -5.815 1.00 0.00 O ATOM 820 CG2 THR A 53 17.269 -2.314 -7.177 1.00 0.00 C ATOM 0 H THR A 53 14.586 -1.696 -7.451 1.00 0.00 H new ATOM 0 HA THR A 53 15.715 -3.876 -9.126 1.00 0.00 H new ATOM 0 HB THR A 53 17.048 -4.452 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.558 -3.728 -5.144 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.052 -2.361 -6.421 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.723 -2.231 -8.165 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.639 -1.444 -6.993 1.00 0.00 H new ATOM 828 N PRO A 54 14.357 -5.772 -7.697 1.00 0.00 N ATOM 829 CA PRO A 54 13.289 -6.709 -7.291 1.00 0.00 C ATOM 830 C PRO A 54 12.979 -6.615 -5.794 1.00 0.00 C ATOM 831 O PRO A 54 11.848 -6.860 -5.369 1.00 0.00 O ATOM 832 CB PRO A 54 13.871 -8.066 -7.673 1.00 0.00 C ATOM 833 CG PRO A 54 15.381 -7.898 -7.728 1.00 0.00 C ATOM 834 CD PRO A 54 15.656 -6.417 -8.003 1.00 0.00 C ATOM 0 HA PRO A 54 12.332 -6.503 -7.771 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.593 -8.825 -6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.483 -8.395 -8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.838 -8.207 -6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.810 -8.522 -8.512 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.456 -6.031 -7.371 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.956 -6.248 -9.037 1.00 0.00 H new ATOM 842 N GLU A 55 13.989 -6.226 -5.008 1.00 0.00 N ATOM 843 CA GLU A 55 13.813 -6.065 -3.564 1.00 0.00 C ATOM 844 C GLU A 55 13.170 -4.709 -3.260 1.00 0.00 C ATOM 845 O GLU A 55 12.356 -4.585 -2.341 1.00 0.00 O ATOM 846 CB GLU A 55 15.162 -6.152 -2.841 1.00 0.00 C ATOM 847 CG GLU A 55 15.700 -7.583 -2.929 1.00 0.00 C ATOM 848 CD GLU A 55 17.140 -7.561 -3.439 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.324 -7.357 -4.629 1.00 0.00 O ATOM 850 OE2 GLU A 55 18.036 -7.748 -2.632 1.00 0.00 O ATOM 0 H GLU A 55 14.929 -6.019 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 55 13.165 -6.867 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.872 -5.457 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.046 -5.860 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.658 -8.058 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.076 -8.176 -3.598 1.00 0.00 H new ATOM 857 N GLU A 56 13.551 -3.693 -4.048 1.00 0.00 N ATOM 858 CA GLU A 56 13.020 -2.340 -3.869 1.00 0.00 C ATOM 859 C GLU A 56 11.552 -2.266 -4.292 1.00 0.00 C ATOM 860 O GLU A 56 10.720 -1.703 -3.578 1.00 0.00 O ATOM 861 CB GLU A 56 13.830 -1.340 -4.701 1.00 0.00 C ATOM 862 CG GLU A 56 13.576 0.080 -4.189 1.00 0.00 C ATOM 863 CD GLU A 56 14.491 1.057 -4.923 1.00 0.00 C ATOM 864 OE1 GLU A 56 15.628 1.205 -4.503 1.00 0.00 O ATOM 865 OE2 GLU A 56 14.041 1.642 -5.895 1.00 0.00 O ATOM 0 H GLU A 56 14.222 -3.785 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 56 13.097 -2.090 -2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.892 -1.575 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.549 -1.414 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.533 0.354 -4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.760 0.129 -3.116 1.00 0.00 H new ATOM 872 N LEU A 57 11.245 -2.834 -5.465 1.00 0.00 N ATOM 873 CA LEU A 57 9.873 -2.822 -5.975 1.00 0.00 C ATOM 874 C LEU A 57 8.936 -3.623 -5.066 1.00 0.00 C ATOM 875 O LEU A 57 7.776 -3.258 -4.892 1.00 0.00 O ATOM 876 CB LEU A 57 9.819 -3.388 -7.403 1.00 0.00 C ATOM 877 CG LEU A 57 9.967 -4.914 -7.534 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.600 -5.589 -7.372 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.533 -5.248 -8.917 1.00 0.00 C ATOM 0 H LEU A 57 11.920 -3.301 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 57 9.538 -1.785 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.870 -3.096 -7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.607 -2.916 -7.989 1.00 0.00 H new ATOM 0 HG LEU A 57 10.641 -5.277 -6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.714 -6.669 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.191 -5.352 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.922 -5.227 -8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.640 -6.328 -9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.855 -4.879 -9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.508 -4.775 -9.035 1.00 0.00 H new ATOM 891 N GLN A 58 9.445 -4.714 -4.488 1.00 0.00 N ATOM 892 CA GLN A 58 8.628 -5.549 -3.602 1.00 0.00 C ATOM 893 C GLN A 58 8.223 -4.790 -2.330 1.00 0.00 C ATOM 894 O GLN A 58 7.175 -5.067 -1.745 1.00 0.00 O ATOM 895 CB GLN A 58 9.384 -6.823 -3.211 1.00 0.00 C ATOM 896 CG GLN A 58 8.393 -7.868 -2.687 1.00 0.00 C ATOM 897 CD GLN A 58 7.447 -8.295 -3.809 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.850 -8.998 -4.737 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.198 -7.907 -3.783 1.00 0.00 N ATOM 0 H GLN A 58 10.404 -5.037 -4.614 1.00 0.00 H new ATOM 0 HA GLN A 58 7.725 -5.815 -4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.922 -7.218 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.128 -6.597 -2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.933 -8.734 -2.305 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.822 -7.456 -1.855 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.861 -7.325 -3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.561 -8.187 -4.529 1.00 0.00 H new ATOM 908 N GLU A 59 9.059 -3.832 -1.910 1.00 0.00 N ATOM 909 CA GLU A 59 8.771 -3.044 -0.705 1.00 0.00 C ATOM 910 C GLU A 59 7.526 -2.177 -0.905 1.00 0.00 C ATOM 911 O GLU A 59 6.596 -2.220 -0.096 1.00 0.00 O ATOM 912 CB GLU A 59 9.955 -2.139 -0.352 1.00 0.00 C ATOM 913 CG GLU A 59 10.966 -2.923 0.490 1.00 0.00 C ATOM 914 CD GLU A 59 12.308 -2.197 0.487 1.00 0.00 C ATOM 915 OE1 GLU A 59 13.085 -2.432 -0.424 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.538 -1.414 1.396 1.00 0.00 O ATOM 0 H GLU A 59 9.930 -3.586 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 59 8.595 -3.746 0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.430 -1.773 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.607 -1.266 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.600 -3.028 1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.085 -3.930 0.089 1.00 0.00 H new ATOM 923 N MET A 60 7.515 -1.394 -1.990 1.00 0.00 N ATOM 924 CA MET A 60 6.370 -0.525 -2.281 1.00 0.00 C ATOM 925 C MET A 60 5.113 -1.358 -2.541 1.00 0.00 C ATOM 926 O MET A 60 4.005 -0.950 -2.193 1.00 0.00 O ATOM 927 CB MET A 60 6.651 0.376 -3.495 1.00 0.00 C ATOM 928 CG MET A 60 7.044 -0.473 -4.708 1.00 0.00 C ATOM 929 SD MET A 60 7.014 0.548 -6.201 1.00 0.00 S ATOM 930 CE MET A 60 6.887 -0.805 -7.397 1.00 0.00 C ATOM 0 H MET A 60 8.273 -1.344 -2.671 1.00 0.00 H new ATOM 0 HA MET A 60 6.207 0.107 -1.408 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.767 0.969 -3.729 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.451 1.077 -3.259 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.039 -0.893 -4.563 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.356 -1.312 -4.815 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.675 -0.706 -8.143 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.994 -1.759 -6.880 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.915 -0.766 -7.889 1.00 0.00 H new ATOM 940 N ILE A 61 5.305 -2.536 -3.143 1.00 0.00 N ATOM 941 CA ILE A 61 4.187 -3.434 -3.434 1.00 0.00 C ATOM 942 C ILE A 61 3.593 -3.976 -2.135 1.00 0.00 C ATOM 943 O ILE A 61 2.377 -4.018 -1.969 1.00 0.00 O ATOM 944 CB ILE A 61 4.647 -4.605 -4.314 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.013 -4.081 -5.708 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.523 -5.640 -4.435 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.813 -3.362 -6.334 1.00 0.00 C ATOM 0 H ILE A 61 6.217 -2.886 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 61 3.427 -2.866 -3.970 1.00 0.00 H new ATOM 0 HB ILE A 61 5.518 -5.076 -3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.859 -3.398 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.324 -4.909 -6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.857 -6.468 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.265 -6.015 -3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.647 -5.174 -4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.085 -2.994 -7.323 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.978 -4.057 -6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.522 -2.523 -5.702 1.00 0.00 H new ATOM 959 N ASP A 62 4.467 -4.384 -1.214 1.00 0.00 N ATOM 960 CA ASP A 62 4.016 -4.912 0.075 1.00 0.00 C ATOM 961 C ASP A 62 3.206 -3.854 0.832 1.00 0.00 C ATOM 962 O ASP A 62 2.215 -4.171 1.495 1.00 0.00 O ATOM 963 CB ASP A 62 5.212 -5.333 0.935 1.00 0.00 C ATOM 964 CG ASP A 62 4.743 -6.269 2.045 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.370 -5.772 3.098 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.763 -7.470 1.828 1.00 0.00 O ATOM 0 H ASP A 62 5.480 -4.360 -1.333 1.00 0.00 H new ATOM 0 HA ASP A 62 3.389 -5.782 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.959 -5.831 0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.690 -4.453 1.366 1.00 0.00 H new ATOM 971 N GLU A 63 3.645 -2.594 0.729 1.00 0.00 N ATOM 972 CA GLU A 63 2.964 -1.489 1.409 1.00 0.00 C ATOM 973 C GLU A 63 1.602 -1.195 0.772 1.00 0.00 C ATOM 974 O GLU A 63 0.607 -1.014 1.477 1.00 0.00 O ATOM 975 CB GLU A 63 3.819 -0.219 1.359 1.00 0.00 C ATOM 976 CG GLU A 63 5.038 -0.380 2.271 1.00 0.00 C ATOM 977 CD GLU A 63 6.058 0.709 1.953 1.00 0.00 C ATOM 978 OE1 GLU A 63 6.869 0.493 1.065 1.00 0.00 O ATOM 979 OE2 GLU A 63 6.012 1.742 2.598 1.00 0.00 O ATOM 0 H GLU A 63 4.462 -2.317 0.185 1.00 0.00 H new ATOM 0 HA GLU A 63 2.812 -1.792 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.141 -0.026 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.228 0.641 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.735 -0.315 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.484 -1.364 2.129 1.00 0.00 H new ATOM 986 N VAL A 64 1.565 -1.139 -0.565 1.00 0.00 N ATOM 987 CA VAL A 64 0.311 -0.853 -1.275 1.00 0.00 C ATOM 988 C VAL A 64 -0.659 -2.041 -1.192 1.00 0.00 C ATOM 989 O VAL A 64 -1.876 -1.849 -1.126 1.00 0.00 O ATOM 990 CB VAL A 64 0.588 -0.501 -2.749 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.183 -1.707 -3.477 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.716 -0.084 -3.436 1.00 0.00 C ATOM 0 H VAL A 64 2.374 -1.285 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.155 0.004 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 64 1.299 0.324 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.374 -1.446 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.118 -1.996 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.481 -2.540 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.515 0.164 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.431 -0.906 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.132 0.787 -2.929 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.115 -3.265 -1.188 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.950 -4.467 -1.104 1.00 0.00 C ATOM 1004 C ASP A 65 -1.500 -4.623 0.314 1.00 0.00 C ATOM 1005 O ASP A 65 -0.764 -4.946 1.250 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.145 -5.724 -1.475 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.004 -6.671 -2.315 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -2.132 -6.928 -1.924 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.520 -7.129 -3.337 1.00 0.00 O ATOM 0 H ASP A 65 0.887 -3.447 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.773 -4.355 -1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.749 -5.442 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.190 -6.231 -0.570 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.805 -4.386 0.457 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.461 -4.498 1.764 1.00 0.00 C ATOM 1016 C GLU A 66 -3.521 -5.959 2.204 1.00 0.00 C ATOM 1017 O GLU A 66 -3.236 -6.286 3.358 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.888 -3.937 1.708 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.866 -2.522 1.122 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.255 -1.898 1.232 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.651 -1.567 2.338 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.902 -1.760 0.206 1.00 0.00 O ATOM 0 H GLU A 66 -3.425 -4.118 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.876 -3.921 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.519 -4.583 1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.321 -3.920 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.138 -1.909 1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.553 -2.555 0.078 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.891 -6.830 1.263 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.986 -8.266 1.549 1.00 0.00 C ATOM 1031 C ASP A 67 -2.610 -8.937 1.464 1.00 0.00 C ATOM 1032 O ASP A 67 -2.305 -9.840 2.247 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.955 -8.961 0.575 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.666 -8.531 -0.864 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.176 -7.498 -1.271 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.939 -9.239 -1.538 1.00 0.00 O ATOM 0 H ASP A 67 -4.128 -6.572 0.305 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.369 -8.369 2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.857 -10.043 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.984 -8.712 0.836 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.789 -8.493 0.508 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.450 -9.060 0.327 1.00 0.00 C ATOM 1043 C GLY A 68 -0.532 -10.440 -0.323 1.00 0.00 C ATOM 1044 O GLY A 68 0.084 -11.399 0.142 1.00 0.00 O ATOM 0 H GLY A 68 -2.026 -7.748 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.151 -8.395 -0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.052 -9.136 1.292 1.00 0.00 H new ATOM 1048 N SER A 69 -1.311 -10.522 -1.403 1.00 0.00 N ATOM 1049 CA SER A 69 -1.493 -11.787 -2.126 1.00 0.00 C ATOM 1050 C SER A 69 -0.397 -12.012 -3.180 1.00 0.00 C ATOM 1051 O SER A 69 -0.289 -13.104 -3.743 1.00 0.00 O ATOM 1052 CB SER A 69 -2.851 -11.800 -2.833 1.00 0.00 C ATOM 1053 OG SER A 69 -2.947 -10.668 -3.693 1.00 0.00 O ATOM 0 H SER A 69 -1.825 -9.733 -1.797 1.00 0.00 H new ATOM 0 HA SER A 69 -1.437 -12.585 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.965 -12.719 -3.409 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.656 -11.782 -2.098 1.00 0.00 H new ATOM 0 HG SER A 69 -3.319 -9.910 -3.196 1.00 0.00 H new ATOM 1059 N GLY A 70 0.395 -10.972 -3.461 1.00 0.00 N ATOM 1060 CA GLY A 70 1.450 -11.075 -4.470 1.00 0.00 C ATOM 1061 C GLY A 70 0.906 -10.721 -5.858 1.00 0.00 C ATOM 1062 O GLY A 70 1.491 -11.087 -6.878 1.00 0.00 O ATOM 0 H GLY A 70 0.326 -10.060 -3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.272 -10.406 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.854 -12.087 -4.479 1.00 0.00 H new ATOM 1066 N THR A 71 -0.225 -10.002 -5.879 1.00 0.00 N ATOM 1067 CA THR A 71 -0.854 -9.591 -7.133 1.00 0.00 C ATOM 1068 C THR A 71 -1.419 -8.180 -6.978 1.00 0.00 C ATOM 1069 O THR A 71 -2.094 -7.876 -5.991 1.00 0.00 O ATOM 1070 CB THR A 71 -1.984 -10.559 -7.518 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.026 -10.489 -6.554 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.441 -11.989 -7.576 1.00 0.00 C ATOM 0 H THR A 71 -0.719 -9.695 -5.041 1.00 0.00 H new ATOM 0 HA THR A 71 -0.102 -9.605 -7.922 1.00 0.00 H new ATOM 0 HB THR A 71 -2.376 -10.279 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.650 -10.606 -5.657 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.245 -12.673 -7.849 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.647 -12.047 -8.320 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.044 -12.267 -6.600 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.127 -7.318 -7.951 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.607 -5.936 -7.889 1.00 0.00 C ATOM 1082 C VAL A 72 -2.899 -5.774 -8.678 1.00 0.00 C ATOM 1083 O VAL A 72 -2.936 -5.997 -9.889 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.569 -4.951 -8.451 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.897 -3.536 -7.966 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.837 -5.330 -7.977 1.00 0.00 C ATOM 0 H VAL A 72 -0.572 -7.544 -8.776 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.782 -5.713 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.601 -4.990 -9.540 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.162 -2.836 -8.363 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.891 -3.254 -8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.871 -3.510 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.561 -4.623 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.874 -5.301 -6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.079 -6.335 -8.322 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.951 -5.346 -7.980 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.240 -5.109 -8.624 1.00 0.00 C ATOM 1098 C ASP A 73 -5.232 -3.706 -9.218 1.00 0.00 C ATOM 1099 O ASP A 73 -4.349 -2.904 -8.909 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.389 -5.221 -7.613 1.00 0.00 C ATOM 1101 CG ASP A 73 -7.683 -5.606 -8.329 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -7.934 -6.792 -8.464 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -8.408 -4.708 -8.725 1.00 0.00 O ATOM 0 H ASP A 73 -3.936 -5.158 -6.978 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.392 -5.859 -9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.147 -5.968 -6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.520 -4.272 -7.093 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.210 -3.405 -10.068 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.274 -2.081 -10.679 1.00 0.00 C ATOM 1110 C PHE A 74 -6.401 -0.993 -9.603 1.00 0.00 C ATOM 1111 O PHE A 74 -5.939 0.134 -9.792 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.448 -1.979 -11.657 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.287 -0.744 -12.502 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.037 -0.433 -13.049 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.381 0.092 -12.732 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.883 0.716 -13.825 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.229 1.242 -13.510 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.980 1.555 -14.056 1.00 0.00 C ATOM 0 H PHE A 74 -6.955 -4.045 -10.345 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.347 -1.929 -11.232 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.486 -2.865 -12.291 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.390 -1.939 -11.109 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.192 -1.082 -12.871 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.345 -0.150 -12.309 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.919 0.958 -14.247 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.075 1.889 -13.690 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.861 2.445 -14.656 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.011 -1.351 -8.464 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.168 -0.408 -7.355 1.00 0.00 C ATOM 1130 C ASP A 75 -5.810 -0.154 -6.700 1.00 0.00 C ATOM 1131 O ASP A 75 -5.429 0.993 -6.461 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.139 -0.961 -6.304 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.514 -1.183 -6.934 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -9.730 -2.256 -7.474 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -10.329 -0.278 -6.864 1.00 0.00 O ATOM 0 H ASP A 75 -7.399 -2.278 -8.290 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.571 0.524 -7.751 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.758 -1.899 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.220 -0.265 -5.469 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.074 -1.245 -6.438 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.739 -1.147 -5.835 1.00 0.00 C ATOM 1142 C GLU A 76 -2.777 -0.456 -6.807 1.00 0.00 C ATOM 1143 O GLU A 76 -1.856 0.252 -6.396 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.187 -2.544 -5.505 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.155 -3.287 -4.574 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.776 -4.770 -4.494 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -2.608 -5.060 -4.287 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -4.661 -5.597 -4.640 1.00 0.00 O ATOM 0 H GLU A 76 -5.379 -2.198 -6.633 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.825 -0.567 -4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.044 -3.113 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.210 -2.455 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.128 -2.843 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.176 -3.184 -4.941 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.015 -0.678 -8.105 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.192 -0.094 -9.165 1.00 0.00 C ATOM 1157 C PHE A 77 -2.297 1.434 -9.156 1.00 0.00 C ATOM 1158 O PHE A 77 -1.283 2.136 -9.168 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.674 -0.626 -10.525 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.528 -0.889 -11.478 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.217 -1.108 -11.017 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.797 -0.918 -12.849 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.812 -1.353 -11.933 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.768 -1.166 -13.762 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.536 -1.379 -13.306 1.00 0.00 C ATOM 0 H PHE A 77 -3.778 -1.263 -8.446 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.152 -0.372 -8.995 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.236 -1.547 -10.374 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.358 0.095 -10.973 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.005 -1.087 -9.958 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.803 -0.748 -13.204 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.819 -1.522 -11.581 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.981 -1.193 -14.821 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.331 -1.564 -14.013 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.536 1.936 -9.136 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.776 3.384 -9.127 1.00 0.00 C ATOM 1177 C LEU A 78 -3.420 3.991 -7.766 1.00 0.00 C ATOM 1178 O LEU A 78 -2.997 5.146 -7.685 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.246 3.688 -9.443 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.584 3.828 -10.935 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.922 2.702 -11.733 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.100 3.755 -11.120 1.00 0.00 C ATOM 0 H LEU A 78 -4.382 1.367 -9.126 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.139 3.828 -9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.862 2.894 -9.021 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.525 4.612 -8.936 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.212 4.787 -11.296 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.168 2.811 -12.789 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.841 2.753 -11.605 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.285 1.739 -11.373 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.343 3.854 -12.178 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.466 2.796 -10.752 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.574 4.562 -10.562 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.585 3.198 -6.700 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.267 3.659 -5.347 1.00 0.00 C ATOM 1196 C VAL A 79 -1.772 3.985 -5.252 1.00 0.00 C ATOM 1197 O VAL A 79 -1.390 5.053 -4.783 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.653 2.583 -4.313 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.733 2.648 -3.090 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.098 2.808 -3.865 1.00 0.00 C ATOM 0 H VAL A 79 -3.934 2.241 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.839 4.561 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.549 1.602 -4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.025 1.879 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.702 2.482 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.817 3.629 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.375 2.049 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.190 3.796 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.761 2.740 -4.727 1.00 0.00 H new ATOM 1210 N MET A 80 -0.940 3.046 -5.714 1.00 0.00 N ATOM 1211 CA MET A 80 0.520 3.219 -5.700 1.00 0.00 C ATOM 1212 C MET A 80 0.926 4.613 -6.202 1.00 0.00 C ATOM 1213 O MET A 80 1.905 5.189 -5.724 1.00 0.00 O ATOM 1214 CB MET A 80 1.186 2.160 -6.585 1.00 0.00 C ATOM 1215 CG MET A 80 2.314 1.473 -5.811 1.00 0.00 C ATOM 1216 SD MET A 80 3.316 0.487 -6.953 1.00 0.00 S ATOM 1217 CE MET A 80 2.021 -0.672 -7.459 1.00 0.00 C ATOM 0 H MET A 80 -1.251 2.156 -6.103 1.00 0.00 H new ATOM 0 HA MET A 80 0.852 3.108 -4.668 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.449 1.423 -6.903 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.582 2.624 -7.488 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.936 2.218 -5.315 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.898 0.835 -5.031 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.476 -1.538 -7.940 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.460 -0.997 -6.582 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.346 -0.180 -8.160 1.00 0.00 H new ATOM 1227 N MET A 81 0.162 5.151 -7.164 1.00 0.00 N ATOM 1228 CA MET A 81 0.454 6.480 -7.709 1.00 0.00 C ATOM 1229 C MET A 81 0.261 7.552 -6.635 1.00 0.00 C ATOM 1230 O MET A 81 1.184 8.307 -6.319 1.00 0.00 O ATOM 1231 CB MET A 81 -0.464 6.790 -8.897 1.00 0.00 C ATOM 1232 CG MET A 81 -0.087 8.148 -9.504 1.00 0.00 C ATOM 1233 SD MET A 81 0.062 7.994 -11.301 1.00 0.00 S ATOM 1234 CE MET A 81 1.678 7.179 -11.324 1.00 0.00 C ATOM 0 H MET A 81 -0.651 4.692 -7.574 1.00 0.00 H new ATOM 0 HA MET A 81 1.491 6.484 -8.045 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.376 6.007 -9.651 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.504 6.803 -8.571 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.844 8.891 -9.255 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.854 8.498 -9.080 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.753 6.544 -12.207 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.465 7.932 -11.351 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.790 6.569 -10.428 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.952 7.606 -6.074 1.00 0.00 N ATOM 1245 CA VAL A 82 -1.267 8.585 -5.029 1.00 0.00 C ATOM 1246 C VAL A 82 -0.428 8.330 -3.771 1.00 0.00 C ATOM 1247 O VAL A 82 -0.099 9.261 -3.041 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.759 8.539 -4.665 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.599 8.914 -5.891 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -3.146 7.133 -4.201 1.00 0.00 C ATOM 0 H VAL A 82 -1.725 6.989 -6.323 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.028 9.573 -5.423 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.946 9.248 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.657 8.881 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.337 9.920 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.401 8.208 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.206 7.113 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.952 6.419 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.557 6.864 -3.324 1.00 0.00 H new ATOM 1260 N ARG A 83 -0.082 7.056 -3.538 1.00 0.00 N ATOM 1261 CA ARG A 83 0.731 6.676 -2.376 1.00 0.00 C ATOM 1262 C ARG A 83 2.027 7.489 -2.335 1.00 0.00 C ATOM 1263 O ARG A 83 2.500 7.870 -1.263 1.00 0.00 O ATOM 1264 CB ARG A 83 1.091 5.186 -2.433 1.00 0.00 C ATOM 1265 CG ARG A 83 -0.100 4.343 -1.967 1.00 0.00 C ATOM 1266 CD ARG A 83 0.379 2.944 -1.565 1.00 0.00 C ATOM 1267 NE ARG A 83 1.226 3.005 -0.367 1.00 0.00 N ATOM 1268 CZ ARG A 83 2.552 2.784 -0.409 1.00 0.00 C ATOM 1269 NH1 ARG A 83 3.163 2.504 -1.540 1.00 0.00 N ATOM 1270 NH2 ARG A 83 3.251 2.853 0.696 1.00 0.00 N ATOM 0 H ARG A 83 -0.351 6.275 -4.136 1.00 0.00 H new ATOM 0 HA ARG A 83 0.142 6.878 -1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.368 4.909 -3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.957 4.988 -1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.591 4.826 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.839 4.269 -2.765 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.481 2.301 -1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.937 2.496 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 83 0.793 3.223 0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.630 2.451 -2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.170 2.340 -1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.789 3.073 1.579 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.257 2.687 0.674 1.00 0.00 H new ATOM 1284 N CYS A 84 2.592 7.750 -3.519 1.00 0.00 N ATOM 1285 CA CYS A 84 3.833 8.520 -3.618 1.00 0.00 C ATOM 1286 C CYS A 84 3.545 10.022 -3.568 1.00 0.00 C ATOM 1287 O CYS A 84 4.221 10.767 -2.855 1.00 0.00 O ATOM 1288 CB CYS A 84 4.570 8.193 -4.921 1.00 0.00 C ATOM 1289 SG CYS A 84 6.322 8.616 -4.745 1.00 0.00 S ATOM 0 H CYS A 84 2.212 7.442 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 84 4.461 8.246 -2.770 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.462 7.134 -5.157 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.132 8.750 -5.749 1.00 0.00 H new ATOM 0 HG CYS A 84 6.949 8.337 -5.849 1.00 0.00 H new ATOM 1295 N MET A 85 2.534 10.460 -4.331 1.00 0.00 N ATOM 1296 CA MET A 85 2.164 11.880 -4.366 1.00 0.00 C ATOM 1297 C MET A 85 1.760 12.361 -2.970 1.00 0.00 C ATOM 1298 O MET A 85 2.415 13.227 -2.387 1.00 0.00 O ATOM 1299 CB MET A 85 1.001 12.110 -5.342 1.00 0.00 C ATOM 1300 CG MET A 85 0.855 13.607 -5.625 1.00 0.00 C ATOM 1301 SD MET A 85 -0.397 13.858 -6.908 1.00 0.00 S ATOM 1302 CE MET A 85 -0.664 15.625 -6.622 1.00 0.00 C ATOM 0 H MET A 85 1.964 9.859 -4.926 1.00 0.00 H new ATOM 0 HA MET A 85 3.031 12.447 -4.704 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.181 11.570 -6.272 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.076 11.718 -4.920 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.569 14.134 -4.715 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.810 14.022 -5.947 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.415 15.997 -7.319 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.009 15.780 -5.600 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.271 16.164 -6.775 1.00 0.00 H new ATOM 1312 N LYS A 86 0.681 11.781 -2.439 1.00 0.00 N ATOM 1313 CA LYS A 86 0.201 12.144 -1.108 1.00 0.00 C ATOM 1314 C LYS A 86 0.449 10.999 -0.130 1.00 0.00 C ATOM 1315 O LYS A 86 0.210 9.830 -0.440 1.00 0.00 O ATOM 1316 CB LYS A 86 -1.294 12.464 -1.138 1.00 0.00 C ATOM 1317 CG LYS A 86 -1.699 13.157 0.168 1.00 0.00 C ATOM 1318 CD LYS A 86 -2.627 12.238 0.970 1.00 0.00 C ATOM 1319 CE LYS A 86 -4.086 12.544 0.615 1.00 0.00 C ATOM 1320 NZ LYS A 86 -4.442 11.894 -0.680 1.00 0.00 N ATOM 0 H LYS A 86 0.128 11.063 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 86 0.747 13.030 -0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.521 13.107 -1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.870 11.548 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.812 13.397 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.202 14.099 -0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.400 11.195 0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.464 12.382 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.745 12.184 1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.233 13.622 0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.447 12.063 -0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.858 12.294 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.270 10.870 -0.613 1.00 0.00 H new ATOM 1334 N ASP A 87 0.938 11.355 1.053 1.00 0.00 N ATOM 1335 CA ASP A 87 1.231 10.358 2.084 1.00 0.00 C ATOM 1336 C ASP A 87 1.531 11.043 3.419 1.00 0.00 C ATOM 1337 O ASP A 87 1.041 10.620 4.468 1.00 0.00 O ATOM 1338 CB ASP A 87 2.438 9.508 1.665 1.00 0.00 C ATOM 1339 CG ASP A 87 2.411 8.159 2.380 1.00 0.00 C ATOM 1340 OD1 ASP A 87 2.482 8.149 3.601 1.00 0.00 O ATOM 1341 OD2 ASP A 87 2.337 7.154 1.694 1.00 0.00 O ATOM 0 H ASP A 87 1.140 12.318 1.323 1.00 0.00 H new ATOM 0 HA ASP A 87 0.358 9.716 2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.427 9.355 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.362 10.035 1.903 1.00 0.00 H new ATOM 1346 N ASP A 88 2.336 12.108 3.361 1.00 0.00 N ATOM 1347 CA ASP A 88 2.695 12.861 4.563 1.00 0.00 C ATOM 1348 C ASP A 88 1.927 14.181 4.607 1.00 0.00 C ATOM 1349 O ASP A 88 1.293 14.508 5.612 1.00 0.00 O ATOM 1350 CB ASP A 88 4.199 13.156 4.586 1.00 0.00 C ATOM 1351 CG ASP A 88 4.969 11.868 4.866 1.00 0.00 C ATOM 1352 OD1 ASP A 88 5.189 11.116 3.930 1.00 0.00 O ATOM 1353 OD2 ASP A 88 5.327 11.653 6.013 1.00 0.00 O ATOM 0 H ASP A 88 2.749 12.465 2.499 1.00 0.00 H new ATOM 0 HA ASP A 88 2.435 12.256 5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.512 13.578 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.422 13.899 5.352 1.00 0.00 H new ATOM 1358 N SER A 89 1.985 14.932 3.501 1.00 0.00 N ATOM 1359 CA SER A 89 1.285 16.216 3.416 1.00 0.00 C ATOM 1360 C SER A 89 0.453 16.282 2.132 1.00 0.00 C ATOM 1361 O SER A 89 -0.762 16.316 2.241 1.00 0.00 O ATOM 1362 CB SER A 89 2.285 17.380 3.439 1.00 0.00 C ATOM 1363 OG SER A 89 2.721 17.599 4.775 1.00 0.00 O ATOM 1364 OXT SER A 89 1.041 16.289 1.060 1.00 0.00 O ATOM 0 H SER A 89 2.504 14.675 2.661 1.00 0.00 H new ATOM 0 HA SER A 89 0.624 16.301 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.138 17.155 2.798 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.819 18.283 3.044 1.00 0.00 H new ATOM 0 HG SER A 89 3.361 18.341 4.793 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.144 -7.828 -3.840 1.00 0.00 CA