USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 953 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 25 THR OG1 : rot 154:sc= 0.355 USER MOD Set 1.2: A 27 HIS : no HE2:sc= 0 K(o=2.2,f=1.6) USER MOD Set 1.3: A 117 TYR OH : rot -51:sc= 0.984 USER MOD Set 1.4: A 121 CYS SG : rot 131:sc= 0.852 USER MOD Set 2.1: A 7 THR OG1 : rot 118:sc= -0.129 USER MOD Set 2.2: A 9 THR OG1 : rot 86:sc= 1.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.0127 (180deg=-0.224) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -176:sc= -0.462 (180deg=-0.496) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= 0.119 (180deg=-0.296) USER MOD Single : A 6 TYR OH : rot 180:sc=-0.00601 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-3.3) USER MOD Single : A 14 SER OG : rot 120:sc= 0.0834 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0244 USER MOD Single : A 26 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.27) USER MOD Single : A 29 GLN : amide:sc= 1.08 K(o=1.1,f=-2.7!) USER MOD Single : A 31 GLN : amide:sc= -0.0304 X(o=-0.03,f=-0.089) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -168:sc=-0.000475 (180deg=-0.0833) USER MOD Single : A 55 SER OG : rot 67:sc= 1.25 USER MOD Single : A 58 SER OG : rot 173:sc= 0.26 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0668 USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0.183 (180deg=-1.76!) USER MOD Single : A 77 ASN : amide:sc= 0.211 K(o=0.21,f=-9.7!) USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= 0.987 (180deg=0.601) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.23) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl 171:sc= -0.68 (180deg=-0.819) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.844 -0.877 -7.610 1.00 0.00 N ATOM 2 CA MET A 1 16.004 -0.057 -8.507 1.00 0.00 C ATOM 3 C MET A 1 15.069 -0.976 -9.288 1.00 0.00 C ATOM 4 O MET A 1 15.499 -2.046 -9.726 1.00 0.00 O ATOM 5 CB MET A 1 16.826 0.789 -9.495 1.00 0.00 C ATOM 6 CG MET A 1 18.028 1.502 -8.866 1.00 0.00 C ATOM 7 SD MET A 1 19.613 0.680 -9.171 1.00 0.00 S ATOM 8 CE MET A 1 20.157 1.611 -10.631 1.00 0.00 C ATOM 0 H1 MET A 1 16.920 -0.411 -6.684 1.00 0.00 H new ATOM 0 H2 MET A 1 16.411 -1.815 -7.491 1.00 0.00 H new ATOM 0 H3 MET A 1 17.792 -0.983 -8.023 1.00 0.00 H new ATOM 0 HA MET A 1 15.443 0.638 -7.882 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.181 0.145 -10.299 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.173 1.534 -9.948 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.077 2.520 -9.253 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.871 1.578 -7.790 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.126 1.237 -10.961 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.429 1.489 -11.433 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.243 2.668 -10.377 1.00 0.00 H new ATOM 18 N LYS A 2 13.817 -0.562 -9.528 1.00 0.00 N ATOM 19 CA LYS A 2 12.780 -1.352 -10.212 1.00 0.00 C ATOM 20 C LYS A 2 12.524 -2.673 -9.488 1.00 0.00 C ATOM 21 O LYS A 2 12.710 -3.754 -10.054 1.00 0.00 O ATOM 22 CB LYS A 2 13.113 -1.574 -11.697 1.00 0.00 C ATOM 23 CG LYS A 2 13.341 -0.273 -12.466 1.00 0.00 C ATOM 24 CD LYS A 2 13.763 -0.566 -13.904 1.00 0.00 C ATOM 25 CE LYS A 2 13.894 0.755 -14.662 1.00 0.00 C ATOM 26 NZ LYS A 2 14.260 0.517 -16.069 1.00 0.00 N ATOM 0 H LYS A 2 13.486 0.360 -9.243 1.00 0.00 H new ATOM 0 HA LYS A 2 11.857 -0.773 -10.179 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.006 -2.194 -11.773 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.299 -2.127 -12.166 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.428 0.322 -12.463 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.109 0.320 -11.969 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.711 -1.103 -13.916 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.027 -1.207 -14.389 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.952 1.302 -14.614 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.650 1.379 -14.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.344 1.427 -16.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.170 0.015 -16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.525 -0.060 -16.526 1.00 0.00 H new ATOM 40 N MET A 3 12.083 -2.587 -8.241 1.00 0.00 N ATOM 41 CA MET A 3 11.715 -3.725 -7.421 1.00 0.00 C ATOM 42 C MET A 3 10.226 -3.628 -7.116 1.00 0.00 C ATOM 43 O MET A 3 9.668 -2.525 -7.102 1.00 0.00 O ATOM 44 CB MET A 3 12.548 -3.679 -6.135 1.00 0.00 C ATOM 45 CG MET A 3 12.311 -4.924 -5.279 1.00 0.00 C ATOM 46 SD MET A 3 13.276 -5.061 -3.765 1.00 0.00 S ATOM 47 CE MET A 3 14.953 -4.994 -4.437 1.00 0.00 C ATOM 0 H MET A 3 11.969 -1.695 -7.760 1.00 0.00 H new ATOM 0 HA MET A 3 11.909 -4.669 -7.930 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.606 -3.603 -6.386 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.291 -2.787 -5.564 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.254 -4.958 -5.013 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.514 -5.802 -5.892 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.674 -5.138 -3.632 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.078 -5.780 -5.181 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.120 -4.023 -4.903 1.00 0.00 H new ATOM 57 N LYS A 4 9.593 -4.754 -6.781 1.00 0.00 N ATOM 58 CA LYS A 4 8.392 -4.703 -5.968 1.00 0.00 C ATOM 59 C LYS A 4 8.394 -5.812 -4.923 1.00 0.00 C ATOM 60 O LYS A 4 8.471 -6.991 -5.274 1.00 0.00 O ATOM 61 CB LYS A 4 7.148 -4.664 -6.866 1.00 0.00 C ATOM 62 CG LYS A 4 5.909 -5.263 -6.191 1.00 0.00 C ATOM 63 CD LYS A 4 4.625 -4.931 -6.933 1.00 0.00 C ATOM 64 CE LYS A 4 4.646 -5.523 -8.342 1.00 0.00 C ATOM 65 NZ LYS A 4 3.339 -5.374 -8.987 1.00 0.00 N ATOM 0 H LYS A 4 9.889 -5.690 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 4 8.369 -3.778 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.940 -3.631 -7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.353 -5.209 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.020 -6.346 -6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.841 -4.891 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.769 -5.322 -6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.501 -3.850 -6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.410 -5.026 -8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.915 -6.578 -8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.375 -5.782 -9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.617 -5.869 -8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.096 -4.365 -9.051 1.00 0.00 H new ATOM 79 N LYS A 5 8.319 -5.432 -3.645 1.00 0.00 N ATOM 80 CA LYS A 5 8.152 -6.313 -2.486 1.00 0.00 C ATOM 81 C LYS A 5 6.786 -6.067 -1.832 1.00 0.00 C ATOM 82 O LYS A 5 6.002 -5.263 -2.336 1.00 0.00 O ATOM 83 CB LYS A 5 9.345 -6.128 -1.530 1.00 0.00 C ATOM 84 CG LYS A 5 10.653 -6.710 -2.104 1.00 0.00 C ATOM 85 CD LYS A 5 10.948 -8.128 -1.606 1.00 0.00 C ATOM 86 CE LYS A 5 12.115 -8.822 -2.321 1.00 0.00 C ATOM 87 NZ LYS A 5 13.335 -7.994 -2.387 1.00 0.00 N ATOM 0 H LYS A 5 8.376 -4.450 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 5 8.154 -7.360 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.482 -5.066 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.123 -6.610 -0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.593 -6.718 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.483 -6.057 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.165 -8.087 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.051 -8.736 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.345 -9.755 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.807 -9.085 -3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.174 -8.608 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.338 -7.450 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.355 -7.340 -1.579 1.00 0.00 H new ATOM 101 N TYR A 6 6.476 -6.796 -0.755 1.00 0.00 N ATOM 102 CA TYR A 6 5.129 -6.940 -0.197 1.00 0.00 C ATOM 103 C TYR A 6 5.197 -7.177 1.317 1.00 0.00 C ATOM 104 O TYR A 6 6.266 -7.525 1.816 1.00 0.00 O ATOM 105 CB TYR A 6 4.505 -8.190 -0.819 1.00 0.00 C ATOM 106 CG TYR A 6 4.423 -8.228 -2.328 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.534 -8.666 -3.081 1.00 0.00 C ATOM 108 CD2 TYR A 6 3.229 -7.850 -2.970 1.00 0.00 C ATOM 109 CE1 TYR A 6 5.478 -8.629 -4.486 1.00 0.00 C ATOM 110 CE2 TYR A 6 3.161 -7.867 -4.377 1.00 0.00 C ATOM 111 CZ TYR A 6 4.285 -8.248 -5.144 1.00 0.00 C ATOM 112 OH TYR A 6 4.215 -8.252 -6.506 1.00 0.00 O ATOM 0 H TYR A 6 7.179 -7.318 -0.232 1.00 0.00 H new ATOM 0 HA TYR A 6 4.555 -6.037 -0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.077 -9.057 -0.487 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.497 -8.301 -0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.421 -9.027 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.371 -7.549 -2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.350 -8.893 -5.065 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.243 -7.587 -4.873 1.00 0.00 H new ATOM 0 HH TYR A 6 3.322 -7.964 -6.789 1.00 0.00 H new ATOM 122 N THR A 7 4.087 -7.096 2.063 1.00 0.00 N ATOM 123 CA THR A 7 4.071 -7.233 3.513 1.00 0.00 C ATOM 124 C THR A 7 2.901 -8.110 3.979 1.00 0.00 C ATOM 125 O THR A 7 1.982 -8.447 3.224 1.00 0.00 O ATOM 126 CB THR A 7 4.027 -5.838 4.158 1.00 0.00 C ATOM 127 OG1 THR A 7 2.832 -5.183 3.832 1.00 0.00 O ATOM 128 CG2 THR A 7 5.204 -4.956 3.733 1.00 0.00 C ATOM 0 H THR A 7 3.164 -6.931 1.663 1.00 0.00 H new ATOM 0 HA THR A 7 4.984 -7.736 3.832 1.00 0.00 H new ATOM 0 HB THR A 7 4.091 -5.996 5.235 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.320 -5.010 4.650 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.123 -3.983 4.218 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.140 -5.431 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.188 -4.825 2.651 1.00 0.00 H new ATOM 136 N LYS A 8 2.926 -8.460 5.268 1.00 0.00 N ATOM 137 CA LYS A 8 1.860 -9.227 5.931 1.00 0.00 C ATOM 138 C LYS A 8 0.572 -8.423 6.060 1.00 0.00 C ATOM 139 O LYS A 8 -0.480 -9.009 6.313 1.00 0.00 O ATOM 140 CB LYS A 8 2.244 -9.760 7.331 1.00 0.00 C ATOM 141 CG LYS A 8 3.263 -10.911 7.352 1.00 0.00 C ATOM 142 CD LYS A 8 4.477 -10.599 8.210 1.00 0.00 C ATOM 143 CE LYS A 8 5.269 -9.491 7.543 1.00 0.00 C ATOM 144 NZ LYS A 8 6.389 -9.036 8.392 1.00 0.00 N ATOM 0 H LYS A 8 3.696 -8.217 5.891 1.00 0.00 H new ATOM 0 HA LYS A 8 1.705 -10.084 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.646 -8.933 7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.336 -10.094 7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.779 -11.813 7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.587 -11.123 6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.166 -10.293 9.209 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.096 -11.489 8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.656 -9.844 6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.610 -8.650 7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.909 -8.278 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.017 -8.676 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.031 -9.833 8.576 1.00 0.00 H new ATOM 158 N THR A 9 0.575 -7.109 5.874 1.00 0.00 N ATOM 159 CA THR A 9 -0.660 -6.334 5.898 1.00 0.00 C ATOM 160 C THR A 9 -1.233 -6.295 4.471 1.00 0.00 C ATOM 161 O THR A 9 -1.847 -5.312 4.078 1.00 0.00 O ATOM 162 CB THR A 9 -0.391 -4.992 6.615 1.00 0.00 C ATOM 163 OG1 THR A 9 0.603 -4.259 5.937 1.00 0.00 O ATOM 164 CG2 THR A 9 0.157 -5.253 8.031 1.00 0.00 C ATOM 0 H THR A 9 1.417 -6.558 5.705 1.00 0.00 H new ATOM 0 HA THR A 9 -1.459 -6.781 6.490 1.00 0.00 H new ATOM 0 HB THR A 9 -1.332 -4.443 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.189 -3.727 5.225 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.344 -4.302 8.530 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.572 -5.826 8.604 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.088 -5.816 7.963 1.00 0.00 H new ATOM 172 N HIS A 10 -1.061 -7.398 3.708 1.00 0.00 N ATOM 173 CA HIS A 10 -1.581 -7.659 2.359 1.00 0.00 C ATOM 174 C HIS A 10 -1.457 -6.418 1.484 1.00 0.00 C ATOM 175 O HIS A 10 -2.445 -5.826 1.040 1.00 0.00 O ATOM 176 CB HIS A 10 -2.999 -8.253 2.421 1.00 0.00 C ATOM 177 CG HIS A 10 -3.843 -7.650 3.501 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.374 -6.382 3.472 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.100 -8.205 4.719 1.00 0.00 C ATOM 180 CE1 HIS A 10 -4.995 -6.193 4.646 1.00 0.00 C ATOM 181 NE2 HIS A 10 -4.852 -7.288 5.418 1.00 0.00 N ATOM 0 H HIS A 10 -0.512 -8.186 4.052 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.970 -8.421 1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.490 -8.105 1.459 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.929 -9.329 2.581 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.777 -9.175 5.068 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.529 -5.298 4.930 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.234 -7.415 6.355 1.00 0.00 H new ATOM 190 N GLU A 11 -0.209 -6.036 1.256 1.00 0.00 N ATOM 191 CA GLU A 11 0.192 -4.756 0.712 1.00 0.00 C ATOM 192 C GLU A 11 1.342 -5.009 -0.263 1.00 0.00 C ATOM 193 O GLU A 11 2.196 -5.857 0.012 1.00 0.00 O ATOM 194 CB GLU A 11 0.588 -3.874 1.905 1.00 0.00 C ATOM 195 CG GLU A 11 -0.457 -2.810 2.242 1.00 0.00 C ATOM 196 CD GLU A 11 0.035 -1.986 3.428 1.00 0.00 C ATOM 197 OE1 GLU A 11 0.840 -1.068 3.156 1.00 0.00 O ATOM 198 OE2 GLU A 11 -0.367 -2.301 4.578 1.00 0.00 O ATOM 0 H GLU A 11 0.586 -6.642 1.456 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.596 -4.245 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.748 -4.506 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.538 -3.385 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.628 -2.164 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.410 -3.281 2.481 1.00 0.00 H new ATOM 205 N TRP A 12 1.332 -4.316 -1.407 1.00 0.00 N ATOM 206 CA TRP A 12 2.361 -4.351 -2.448 1.00 0.00 C ATOM 207 C TRP A 12 3.006 -2.972 -2.594 1.00 0.00 C ATOM 208 O TRP A 12 2.353 -1.950 -2.367 1.00 0.00 O ATOM 209 CB TRP A 12 1.753 -4.776 -3.791 1.00 0.00 C ATOM 210 CG TRP A 12 0.697 -3.863 -4.344 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.631 -4.075 -4.251 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.838 -2.589 -5.050 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.314 -3.008 -4.787 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.462 -2.059 -5.297 1.00 0.00 C ATOM 215 CE3 TRP A 12 1.926 -1.829 -5.525 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.676 -0.848 -5.976 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.717 -0.614 -6.200 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.428 -0.122 -6.435 1.00 0.00 C ATOM 0 H TRP A 12 0.567 -3.684 -1.642 1.00 0.00 H new ATOM 0 HA TRP A 12 3.120 -5.077 -2.157 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.556 -4.858 -4.523 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.323 -5.771 -3.676 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.090 -4.952 -3.820 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.331 -2.931 -4.804 1.00 0.00 H new ATOM 0 HE3 TRP A 12 2.934 -2.185 -5.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.679 -0.483 -6.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.570 -0.048 -6.545 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.287 0.808 -6.965 1.00 0.00 H new ATOM 229 N VAL A 13 4.276 -2.951 -3.002 1.00 0.00 N ATOM 230 CA VAL A 13 5.170 -1.815 -2.831 1.00 0.00 C ATOM 231 C VAL A 13 6.010 -1.696 -4.105 1.00 0.00 C ATOM 232 O VAL A 13 6.672 -2.655 -4.475 1.00 0.00 O ATOM 233 CB VAL A 13 6.074 -2.084 -1.605 1.00 0.00 C ATOM 234 CG1 VAL A 13 6.756 -0.806 -1.137 1.00 0.00 C ATOM 235 CG2 VAL A 13 5.354 -2.733 -0.408 1.00 0.00 C ATOM 0 H VAL A 13 4.717 -3.743 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 13 4.621 -0.888 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 13 6.810 -2.805 -1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.385 -1.024 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.371 -0.406 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.000 -0.071 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.064 -2.885 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.549 -2.080 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.938 -3.694 -0.711 1.00 0.00 H new ATOM 245 N SER A 14 5.994 -0.559 -4.795 1.00 0.00 N ATOM 246 CA SER A 14 6.462 -0.430 -6.179 1.00 0.00 C ATOM 247 C SER A 14 7.599 0.579 -6.287 1.00 0.00 C ATOM 248 O SER A 14 7.348 1.779 -6.331 1.00 0.00 O ATOM 249 CB SER A 14 5.282 0.038 -7.024 1.00 0.00 C ATOM 250 OG SER A 14 4.762 -0.983 -7.860 1.00 0.00 O ATOM 0 H SER A 14 5.649 0.318 -4.404 1.00 0.00 H new ATOM 0 HA SER A 14 6.840 -1.391 -6.527 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.492 0.400 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.595 0.881 -7.640 1.00 0.00 H new ATOM 0 HG SER A 14 3.823 -1.146 -7.632 1.00 0.00 H new ATOM 256 N ILE A 15 8.844 0.112 -6.306 1.00 0.00 N ATOM 257 CA ILE A 15 10.032 0.923 -6.082 1.00 0.00 C ATOM 258 C ILE A 15 10.787 1.096 -7.397 1.00 0.00 C ATOM 259 O ILE A 15 11.470 0.193 -7.873 1.00 0.00 O ATOM 260 CB ILE A 15 10.817 0.329 -4.889 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.084 0.829 -3.626 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.299 0.734 -4.863 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.456 0.137 -2.320 1.00 0.00 C ATOM 0 H ILE A 15 9.058 -0.869 -6.483 1.00 0.00 H new ATOM 0 HA ILE A 15 9.802 1.945 -5.781 1.00 0.00 H new ATOM 0 HB ILE A 15 10.837 -0.758 -4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 15 10.277 1.896 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.012 0.713 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.785 0.280 -3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.786 0.390 -5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.379 1.819 -4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.880 0.570 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.235 -0.928 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.520 0.273 -2.126 1.00 0.00 H new ATOM 275 N GLU A 16 10.633 2.270 -8.008 1.00 0.00 N ATOM 276 CA GLU A 16 11.324 2.644 -9.235 1.00 0.00 C ATOM 277 C GLU A 16 12.739 3.128 -8.915 1.00 0.00 C ATOM 278 O GLU A 16 13.690 2.376 -9.152 1.00 0.00 O ATOM 279 CB GLU A 16 10.475 3.612 -10.079 1.00 0.00 C ATOM 280 CG GLU A 16 9.945 4.873 -9.370 1.00 0.00 C ATOM 281 CD GLU A 16 8.804 5.537 -10.140 1.00 0.00 C ATOM 282 OE1 GLU A 16 7.892 4.820 -10.618 1.00 0.00 O ATOM 283 OE2 GLU A 16 8.757 6.789 -10.178 1.00 0.00 O ATOM 0 H GLU A 16 10.013 2.999 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 16 11.452 1.770 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.072 3.929 -10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.622 3.060 -10.473 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.599 4.607 -8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.760 5.586 -9.246 1.00 0.00 H new ATOM 290 N ASP A 17 12.875 4.341 -8.371 1.00 0.00 N ATOM 291 CA ASP A 17 14.141 5.056 -8.173 1.00 0.00 C ATOM 292 C ASP A 17 14.284 5.365 -6.677 1.00 0.00 C ATOM 293 O ASP A 17 15.012 4.658 -5.985 1.00 0.00 O ATOM 294 CB ASP A 17 14.229 6.314 -9.076 1.00 0.00 C ATOM 295 CG ASP A 17 15.193 6.163 -10.265 1.00 0.00 C ATOM 296 OD1 ASP A 17 15.047 5.207 -11.060 1.00 0.00 O ATOM 297 OD2 ASP A 17 16.143 6.974 -10.392 1.00 0.00 O ATOM 0 H ASP A 17 12.071 4.875 -8.042 1.00 0.00 H new ATOM 0 HA ASP A 17 14.984 4.435 -8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.234 6.547 -9.455 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.546 7.163 -8.470 1.00 0.00 H new ATOM 302 N LYS A 18 13.545 6.346 -6.137 1.00 0.00 N ATOM 303 CA LYS A 18 13.622 6.749 -4.720 1.00 0.00 C ATOM 304 C LYS A 18 12.265 6.759 -4.019 1.00 0.00 C ATOM 305 O LYS A 18 12.182 7.222 -2.882 1.00 0.00 O ATOM 306 CB LYS A 18 14.257 8.148 -4.581 1.00 0.00 C ATOM 307 CG LYS A 18 15.607 8.396 -5.272 1.00 0.00 C ATOM 308 CD LYS A 18 16.091 9.801 -4.877 1.00 0.00 C ATOM 309 CE LYS A 18 17.331 10.257 -5.646 1.00 0.00 C ATOM 310 NZ LYS A 18 17.689 11.655 -5.312 1.00 0.00 N ATOM 0 H LYS A 18 12.870 6.889 -6.675 1.00 0.00 H new ATOM 0 HA LYS A 18 14.244 5.996 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.545 8.878 -4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.382 8.354 -3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.334 7.643 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.501 8.319 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.285 10.515 -5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.310 9.814 -3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.168 9.599 -5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.148 10.172 -6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.534 11.935 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.898 12.284 -5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.886 11.729 -4.294 1.00 0.00 H new ATOM 324 N VAL A 19 11.202 6.272 -4.656 1.00 0.00 N ATOM 325 CA VAL A 19 9.852 6.305 -4.110 1.00 0.00 C ATOM 326 C VAL A 19 9.230 4.920 -4.339 1.00 0.00 C ATOM 327 O VAL A 19 9.490 4.304 -5.377 1.00 0.00 O ATOM 328 CB VAL A 19 9.073 7.464 -4.785 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.595 7.564 -4.387 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.695 8.843 -4.494 1.00 0.00 C ATOM 0 H VAL A 19 11.258 5.838 -5.578 1.00 0.00 H new ATOM 0 HA VAL A 19 9.830 6.503 -3.038 1.00 0.00 H new ATOM 0 HB VAL A 19 9.142 7.209 -5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.134 8.403 -4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.082 6.641 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.518 7.719 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.111 9.618 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.696 9.022 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.719 8.866 -4.867 1.00 0.00 H new ATOM 340 N ALA A 20 8.434 4.430 -3.379 1.00 0.00 N ATOM 341 CA ALA A 20 7.498 3.327 -3.551 1.00 0.00 C ATOM 342 C ALA A 20 6.100 3.885 -3.747 1.00 0.00 C ATOM 343 O ALA A 20 5.664 4.752 -2.985 1.00 0.00 O ATOM 344 CB ALA A 20 7.444 2.415 -2.319 1.00 0.00 C ATOM 0 H ALA A 20 8.429 4.808 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 20 7.839 2.751 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.733 1.608 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.432 1.994 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.128 2.994 -1.451 1.00 0.00 H new ATOM 350 N THR A 21 5.367 3.306 -4.686 1.00 0.00 N ATOM 351 CA THR A 21 3.907 3.336 -4.662 1.00 0.00 C ATOM 352 C THR A 21 3.456 2.276 -3.656 1.00 0.00 C ATOM 353 O THR A 21 3.960 1.153 -3.698 1.00 0.00 O ATOM 354 CB THR A 21 3.339 3.057 -6.064 1.00 0.00 C ATOM 355 OG1 THR A 21 4.085 3.797 -7.004 1.00 0.00 O ATOM 356 CG2 THR A 21 1.847 3.381 -6.182 1.00 0.00 C ATOM 0 H THR A 21 5.761 2.805 -5.482 1.00 0.00 H new ATOM 0 HA THR A 21 3.539 4.318 -4.366 1.00 0.00 H new ATOM 0 HB THR A 21 3.427 1.988 -6.259 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.736 3.629 -7.904 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.506 3.163 -7.194 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.286 2.774 -5.471 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.686 4.437 -5.964 1.00 0.00 H new ATOM 364 N VAL A 22 2.544 2.634 -2.758 1.00 0.00 N ATOM 365 CA VAL A 22 1.847 1.755 -1.826 1.00 0.00 C ATOM 366 C VAL A 22 0.426 1.499 -2.356 1.00 0.00 C ATOM 367 O VAL A 22 -0.307 2.445 -2.679 1.00 0.00 O ATOM 368 CB VAL A 22 1.814 2.434 -0.436 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.173 1.572 0.663 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.238 2.810 0.005 1.00 0.00 C ATOM 0 H VAL A 22 2.254 3.606 -2.655 1.00 0.00 H new ATOM 0 HA VAL A 22 2.359 0.797 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 22 1.191 3.320 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.187 2.116 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.142 1.343 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.734 0.644 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.202 3.287 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.851 1.910 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.673 3.500 -0.718 1.00 0.00 H new ATOM 380 N GLY A 23 0.012 0.231 -2.377 1.00 0.00 N ATOM 381 CA GLY A 23 -1.386 -0.182 -2.433 1.00 0.00 C ATOM 382 C GLY A 23 -1.588 -1.523 -1.724 1.00 0.00 C ATOM 383 O GLY A 23 -0.614 -2.195 -1.358 1.00 0.00 O ATOM 0 H GLY A 23 0.660 -0.556 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.013 0.578 -1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.704 -0.264 -3.472 1.00 0.00 H new ATOM 387 N ILE A 24 -2.845 -1.911 -1.497 1.00 0.00 N ATOM 388 CA ILE A 24 -3.194 -3.214 -0.938 1.00 0.00 C ATOM 389 C ILE A 24 -3.366 -4.240 -2.071 1.00 0.00 C ATOM 390 O ILE A 24 -3.547 -3.874 -3.230 1.00 0.00 O ATOM 391 CB ILE A 24 -4.399 -3.130 0.020 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.745 -2.937 -0.694 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.197 -2.038 1.082 1.00 0.00 C ATOM 394 CD1 ILE A 24 -6.937 -3.002 0.271 1.00 0.00 C ATOM 0 H ILE A 24 -3.654 -1.323 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.373 -3.565 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.445 -4.102 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.747 -1.974 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.860 -3.704 -1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.065 -2.006 1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.305 -2.261 1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.077 -1.072 0.592 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.864 -2.860 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.955 -3.975 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.840 -2.218 1.022 1.00 0.00 H new ATOM 406 N THR A 25 -3.267 -5.535 -1.774 1.00 0.00 N ATOM 407 CA THR A 25 -3.320 -6.589 -2.792 1.00 0.00 C ATOM 408 C THR A 25 -4.754 -7.090 -3.030 1.00 0.00 C ATOM 409 O THR A 25 -5.687 -6.721 -2.307 1.00 0.00 O ATOM 410 CB THR A 25 -2.360 -7.726 -2.392 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.750 -8.362 -1.191 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.913 -7.252 -2.197 1.00 0.00 C ATOM 0 H THR A 25 -3.148 -5.885 -0.823 1.00 0.00 H new ATOM 0 HA THR A 25 -2.993 -6.177 -3.747 1.00 0.00 H new ATOM 0 HB THR A 25 -2.411 -8.423 -3.229 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.418 -9.284 -1.186 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.287 -8.099 -1.916 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.543 -6.820 -3.127 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.880 -6.500 -1.409 1.00 0.00 H new ATOM 420 N ASN A 26 -4.951 -7.983 -4.009 1.00 0.00 N ATOM 421 CA ASN A 26 -6.228 -8.671 -4.228 1.00 0.00 C ATOM 422 C ASN A 26 -6.733 -9.352 -2.942 1.00 0.00 C ATOM 423 O ASN A 26 -7.919 -9.273 -2.622 1.00 0.00 O ATOM 424 CB ASN A 26 -6.109 -9.679 -5.383 1.00 0.00 C ATOM 425 CG ASN A 26 -5.931 -11.119 -4.903 1.00 0.00 C ATOM 426 OD1 ASN A 26 -4.836 -11.496 -4.501 1.00 0.00 O ATOM 427 ND2 ASN A 26 -6.975 -11.927 -4.858 1.00 0.00 N ATOM 0 H ASN A 26 -4.225 -8.249 -4.674 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.968 -7.921 -4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.002 -9.617 -6.005 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.262 -9.404 -6.012 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.873 -12.872 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.883 -11.606 -5.194 1.00 0.00 H new ATOM 434 N HIS A 27 -5.835 -9.956 -2.158 1.00 0.00 N ATOM 435 CA HIS A 27 -6.161 -10.658 -0.917 1.00 0.00 C ATOM 436 C HIS A 27 -6.863 -9.742 0.088 1.00 0.00 C ATOM 437 O HIS A 27 -7.566 -10.224 0.979 1.00 0.00 O ATOM 438 CB HIS A 27 -4.863 -11.243 -0.340 1.00 0.00 C ATOM 439 CG HIS A 27 -5.047 -12.319 0.703 1.00 0.00 C ATOM 440 ND1 HIS A 27 -5.076 -13.686 0.474 1.00 0.00 N ATOM 441 CD2 HIS A 27 -5.157 -12.119 2.051 1.00 0.00 C ATOM 442 CE1 HIS A 27 -5.185 -14.301 1.666 1.00 0.00 C ATOM 443 NE2 HIS A 27 -5.251 -13.368 2.633 1.00 0.00 N ATOM 0 H HIS A 27 -4.839 -9.970 -2.375 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.864 -11.463 -1.129 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.273 -11.652 -1.160 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.281 -10.432 0.098 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.024 -14.144 -0.436 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.168 -11.168 2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.215 -15.369 1.821 1.00 0.00 H new ATOM 452 N ALA A 28 -6.676 -8.426 -0.055 1.00 0.00 N ATOM 453 CA ALA A 28 -7.172 -7.401 0.835 1.00 0.00 C ATOM 454 C ALA A 28 -8.565 -6.913 0.434 1.00 0.00 C ATOM 455 O ALA A 28 -9.446 -6.827 1.295 1.00 0.00 O ATOM 456 CB ALA A 28 -6.146 -6.280 0.824 1.00 0.00 C ATOM 0 H ALA A 28 -6.147 -8.040 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.295 -7.797 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.476 -5.478 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.186 -6.662 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.039 -5.895 -0.190 1.00 0.00 H new ATOM 462 N GLN A 29 -8.786 -6.623 -0.857 1.00 0.00 N ATOM 463 CA GLN A 29 -10.116 -6.268 -1.363 1.00 0.00 C ATOM 464 C GLN A 29 -11.097 -7.432 -1.218 1.00 0.00 C ATOM 465 O GLN A 29 -12.298 -7.215 -1.111 1.00 0.00 O ATOM 466 CB GLN A 29 -10.047 -5.750 -2.813 1.00 0.00 C ATOM 467 CG GLN A 29 -9.442 -6.645 -3.893 1.00 0.00 C ATOM 468 CD GLN A 29 -10.420 -7.666 -4.438 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.378 -7.344 -5.126 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.186 -8.931 -4.179 1.00 0.00 N ATOM 0 H GLN A 29 -8.057 -6.628 -1.570 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.496 -5.451 -0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.062 -5.502 -3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.481 -4.819 -2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.082 -6.023 -4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.576 -7.164 -3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.385 -9.194 -3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.805 -9.651 -4.552 1.00 0.00 H new ATOM 479 N GLU A 30 -10.597 -8.666 -1.131 1.00 0.00 N ATOM 480 CA GLU A 30 -11.375 -9.871 -0.879 1.00 0.00 C ATOM 481 C GLU A 30 -12.069 -9.822 0.483 1.00 0.00 C ATOM 482 O GLU A 30 -13.132 -10.419 0.655 1.00 0.00 O ATOM 483 CB GLU A 30 -10.414 -11.067 -0.960 1.00 0.00 C ATOM 484 CG GLU A 30 -10.525 -11.819 -2.292 1.00 0.00 C ATOM 485 CD GLU A 30 -11.224 -13.179 -2.208 1.00 0.00 C ATOM 486 OE1 GLU A 30 -12.100 -13.398 -1.347 1.00 0.00 O ATOM 487 OE2 GLU A 30 -10.843 -14.057 -3.017 1.00 0.00 O ATOM 0 H GLU A 30 -9.601 -8.856 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.166 -9.962 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.390 -10.716 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.624 -11.754 -0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.065 -11.193 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.523 -11.966 -2.694 1.00 0.00 H new ATOM 494 N GLN A 31 -11.509 -9.091 1.451 1.00 0.00 N ATOM 495 CA GLN A 31 -12.081 -9.038 2.788 1.00 0.00 C ATOM 496 C GLN A 31 -13.089 -7.898 2.906 1.00 0.00 C ATOM 497 O GLN A 31 -14.145 -8.090 3.513 1.00 0.00 O ATOM 498 CB GLN A 31 -10.982 -8.936 3.854 1.00 0.00 C ATOM 499 CG GLN A 31 -9.893 -10.002 3.704 1.00 0.00 C ATOM 500 CD GLN A 31 -10.404 -11.424 3.483 1.00 0.00 C ATOM 501 OE1 GLN A 31 -11.310 -11.913 4.155 1.00 0.00 O ATOM 502 NE2 GLN A 31 -9.817 -12.134 2.531 1.00 0.00 N ATOM 0 H GLN A 31 -10.664 -8.532 1.329 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.619 -9.969 2.964 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.524 -7.948 3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.434 -9.025 4.842 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.252 -9.729 2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.270 -9.991 4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.066 -11.722 1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.116 -13.093 2.352 1.00 0.00 H new ATOM 511 N LEU A 32 -12.767 -6.708 2.377 1.00 0.00 N ATOM 512 CA LEU A 32 -13.567 -5.509 2.624 1.00 0.00 C ATOM 513 C LEU A 32 -14.634 -5.335 1.550 1.00 0.00 C ATOM 514 O LEU A 32 -15.736 -4.902 1.882 1.00 0.00 O ATOM 515 CB LEU A 32 -12.716 -4.239 2.689 1.00 0.00 C ATOM 516 CG LEU A 32 -11.452 -4.273 3.558 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.064 -2.887 4.030 1.00 0.00 C ATOM 518 CD2 LEU A 32 -11.473 -5.159 4.816 1.00 0.00 C ATOM 0 H LEU A 32 -11.957 -6.555 1.776 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.038 -5.654 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.418 -3.982 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.349 -3.429 3.049 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.737 -4.718 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.165 -2.950 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.872 -2.249 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.876 -2.463 4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.515 -5.084 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.269 -4.826 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.650 -6.195 4.528 1.00 0.00 H new ATOM 530 N GLY A 33 -14.322 -5.692 0.301 1.00 0.00 N ATOM 531 CA GLY A 33 -15.250 -5.745 -0.815 1.00 0.00 C ATOM 532 C GLY A 33 -15.672 -4.355 -1.237 1.00 0.00 C ATOM 533 O GLY A 33 -14.829 -3.546 -1.639 1.00 0.00 O ATOM 0 H GLY A 33 -13.375 -5.962 0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.784 -6.258 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.129 -6.326 -0.535 1.00 0.00 H new ATOM 537 N ASP A 34 -16.974 -4.109 -1.147 1.00 0.00 N ATOM 538 CA ASP A 34 -17.643 -2.871 -1.501 1.00 0.00 C ATOM 539 C ASP A 34 -17.226 -1.835 -0.464 1.00 0.00 C ATOM 540 O ASP A 34 -17.823 -1.736 0.604 1.00 0.00 O ATOM 541 CB ASP A 34 -19.185 -3.017 -1.563 1.00 0.00 C ATOM 542 CG ASP A 34 -19.699 -4.328 -2.178 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.678 -4.518 -3.414 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.089 -5.210 -1.373 1.00 0.00 O ATOM 0 H ASP A 34 -17.627 -4.814 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.348 -2.567 -2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.582 -2.930 -0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.589 -2.183 -2.137 1.00 0.00 H new ATOM 549 N VAL A 35 -16.156 -1.094 -0.743 1.00 0.00 N ATOM 550 CA VAL A 35 -15.741 0.044 0.072 1.00 0.00 C ATOM 551 C VAL A 35 -16.713 1.209 -0.229 1.00 0.00 C ATOM 552 O VAL A 35 -17.812 1.035 -0.765 1.00 0.00 O ATOM 553 CB VAL A 35 -14.248 0.375 -0.148 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.654 1.220 0.995 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.345 -0.852 -0.124 1.00 0.00 C ATOM 0 H VAL A 35 -15.550 -1.267 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.805 -0.180 1.137 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.261 0.880 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.603 1.423 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.198 2.162 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.740 0.674 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.311 -0.546 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.431 -1.348 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.646 -1.541 -0.913 1.00 0.00 H new ATOM 565 N VAL A 36 -16.305 2.416 0.127 1.00 0.00 N ATOM 566 CA VAL A 36 -17.025 3.668 0.177 1.00 0.00 C ATOM 567 C VAL A 36 -16.029 4.821 0.307 1.00 0.00 C ATOM 568 O VAL A 36 -16.292 5.885 -0.244 1.00 0.00 O ATOM 569 CB VAL A 36 -17.990 3.725 1.378 1.00 0.00 C ATOM 570 CG1 VAL A 36 -19.359 3.114 1.057 1.00 0.00 C ATOM 571 CG2 VAL A 36 -17.445 3.142 2.687 1.00 0.00 C ATOM 0 H VAL A 36 -15.339 2.552 0.424 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.605 3.752 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.106 4.794 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.001 3.179 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.816 3.660 0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.234 2.068 0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.201 3.231 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.196 2.091 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.550 3.689 2.984 1.00 0.00 H new ATOM 581 N TYR A 37 -14.913 4.641 1.027 1.00 0.00 N ATOM 582 CA TYR A 37 -13.976 5.734 1.292 1.00 0.00 C ATOM 583 C TYR A 37 -12.571 5.235 1.643 1.00 0.00 C ATOM 584 O TYR A 37 -12.394 4.086 2.057 1.00 0.00 O ATOM 585 CB TYR A 37 -14.508 6.590 2.451 1.00 0.00 C ATOM 586 CG TYR A 37 -13.602 7.757 2.795 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.391 8.772 1.839 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.872 7.759 4.003 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.452 9.789 2.084 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.914 8.767 4.234 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.698 9.786 3.278 1.00 0.00 C ATOM 592 OH TYR A 37 -10.759 10.753 3.475 1.00 0.00 O ATOM 0 H TYR A 37 -14.640 3.747 1.435 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.897 6.321 0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.496 6.970 2.190 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.631 5.961 3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.952 8.768 0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.046 6.994 4.745 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.307 10.575 1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.340 8.761 5.149 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.325 10.616 4.343 1.00 0.00 H new ATOM 602 N VAL A 38 -11.575 6.121 1.520 1.00 0.00 N ATOM 603 CA VAL A 38 -10.207 5.881 1.928 1.00 0.00 C ATOM 604 C VAL A 38 -9.568 7.150 2.454 1.00 0.00 C ATOM 605 O VAL A 38 -9.646 8.207 1.823 1.00 0.00 O ATOM 606 CB VAL A 38 -9.386 5.309 0.762 1.00 0.00 C ATOM 607 CG1 VAL A 38 -8.143 4.643 1.336 1.00 0.00 C ATOM 608 CG2 VAL A 38 -10.124 4.370 -0.209 1.00 0.00 C ATOM 0 H VAL A 38 -11.715 7.049 1.121 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.220 5.147 2.734 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.138 6.159 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.544 4.229 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.554 5.380 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.439 3.842 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.436 4.035 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.503 3.506 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.957 4.903 -0.668 1.00 0.00 H new ATOM 618 N ASP A 39 -8.923 7.007 3.607 1.00 0.00 N ATOM 619 CA ASP A 39 -8.080 8.012 4.206 1.00 0.00 C ATOM 620 C ASP A 39 -6.719 7.985 3.522 1.00 0.00 C ATOM 621 O ASP A 39 -6.156 6.919 3.266 1.00 0.00 O ATOM 622 CB ASP A 39 -7.938 7.767 5.712 1.00 0.00 C ATOM 623 CG ASP A 39 -6.646 8.353 6.307 1.00 0.00 C ATOM 624 OD1 ASP A 39 -6.604 9.546 6.699 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.689 7.573 6.498 1.00 0.00 O ATOM 0 H ASP A 39 -8.981 6.154 4.163 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.531 8.995 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.796 8.202 6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.963 6.694 5.902 1.00 0.00 H new ATOM 630 N LEU A 40 -6.198 9.165 3.215 1.00 0.00 N ATOM 631 CA LEU A 40 -4.928 9.391 2.555 1.00 0.00 C ATOM 632 C LEU A 40 -4.133 10.438 3.341 1.00 0.00 C ATOM 633 O LEU A 40 -4.701 11.405 3.863 1.00 0.00 O ATOM 634 CB LEU A 40 -5.141 9.851 1.102 1.00 0.00 C ATOM 635 CG LEU A 40 -6.015 8.927 0.236 1.00 0.00 C ATOM 636 CD1 LEU A 40 -6.146 9.541 -1.159 1.00 0.00 C ATOM 637 CD2 LEU A 40 -5.467 7.503 0.088 1.00 0.00 C ATOM 0 H LEU A 40 -6.681 10.036 3.434 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.367 8.457 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.594 10.842 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.166 9.952 0.625 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.975 8.844 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.764 8.896 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.611 10.524 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.157 9.641 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.141 6.917 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.481 7.539 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.388 7.039 1.071 1.00 0.00 H new ATOM 649 N PRO A 41 -2.803 10.287 3.399 1.00 0.00 N ATOM 650 CA PRO A 41 -1.944 11.059 4.281 1.00 0.00 C ATOM 651 C PRO A 41 -1.683 12.481 3.758 1.00 0.00 C ATOM 652 O PRO A 41 -2.128 12.869 2.676 1.00 0.00 O ATOM 653 CB PRO A 41 -0.659 10.262 4.379 1.00 0.00 C ATOM 654 CG PRO A 41 -0.593 9.473 3.070 1.00 0.00 C ATOM 655 CD PRO A 41 -2.032 9.358 2.593 1.00 0.00 C ATOM 0 HA PRO A 41 -2.414 11.205 5.253 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.206 10.916 4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.670 9.597 5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.025 9.986 2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.151 8.489 3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.111 9.603 1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.401 8.340 2.713 1.00 0.00 H new ATOM 663 N GLU A 42 -0.891 13.260 4.495 1.00 0.00 N ATOM 664 CA GLU A 42 -0.325 14.501 3.985 1.00 0.00 C ATOM 665 C GLU A 42 0.800 14.195 2.983 1.00 0.00 C ATOM 666 O GLU A 42 1.554 13.247 3.190 1.00 0.00 O ATOM 667 CB GLU A 42 0.257 15.318 5.145 1.00 0.00 C ATOM 668 CG GLU A 42 0.288 16.796 4.753 1.00 0.00 C ATOM 669 CD GLU A 42 1.419 17.599 5.405 1.00 0.00 C ATOM 670 OE1 GLU A 42 2.061 17.131 6.376 1.00 0.00 O ATOM 671 OE2 GLU A 42 1.734 18.687 4.869 1.00 0.00 O ATOM 0 H GLU A 42 -0.627 13.047 5.457 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.113 15.067 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.347 15.180 6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.263 14.971 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.383 16.870 3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.666 17.251 5.021 1.00 0.00 H new ATOM 678 N VAL A 43 1.001 15.043 1.969 1.00 0.00 N ATOM 679 CA VAL A 43 1.993 14.933 0.890 1.00 0.00 C ATOM 680 C VAL A 43 3.462 15.086 1.344 1.00 0.00 C ATOM 681 O VAL A 43 4.366 15.186 0.533 1.00 0.00 O ATOM 682 CB VAL A 43 1.581 15.923 -0.237 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.401 17.221 -0.306 1.00 0.00 C ATOM 684 CG2 VAL A 43 1.621 15.231 -1.599 1.00 0.00 C ATOM 0 H VAL A 43 0.435 15.886 1.872 1.00 0.00 H new ATOM 0 HA VAL A 43 1.979 13.912 0.508 1.00 0.00 H new ATOM 0 HB VAL A 43 0.566 16.224 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.034 17.840 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.301 17.765 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.450 16.980 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.330 15.939 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.631 14.872 -1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.930 14.388 -1.599 1.00 0.00 H new ATOM 694 N GLY A 44 3.718 15.112 2.637 1.00 0.00 N ATOM 695 CA GLY A 44 5.024 15.239 3.263 1.00 0.00 C ATOM 696 C GLY A 44 5.041 14.527 4.615 1.00 0.00 C ATOM 697 O GLY A 44 5.951 14.757 5.414 1.00 0.00 O ATOM 0 H GLY A 44 2.970 15.040 3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.789 14.815 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.269 16.293 3.397 1.00 0.00 H new ATOM 701 N ARG A 45 4.017 13.711 4.916 1.00 0.00 N ATOM 702 CA ARG A 45 3.870 13.083 6.224 1.00 0.00 C ATOM 703 C ARG A 45 5.006 12.089 6.425 1.00 0.00 C ATOM 704 O ARG A 45 5.395 11.401 5.481 1.00 0.00 O ATOM 705 CB ARG A 45 2.516 12.359 6.331 1.00 0.00 C ATOM 706 CG ARG A 45 2.083 12.216 7.796 1.00 0.00 C ATOM 707 CD ARG A 45 0.988 11.163 7.917 1.00 0.00 C ATOM 708 NE ARG A 45 0.662 10.886 9.326 1.00 0.00 N ATOM 709 CZ ARG A 45 -0.172 11.528 10.157 1.00 0.00 C ATOM 710 NH1 ARG A 45 -0.893 12.578 9.765 1.00 0.00 N ATOM 711 NH2 ARG A 45 -0.301 11.090 11.403 1.00 0.00 N ATOM 0 H ARG A 45 3.275 13.474 4.257 1.00 0.00 H new ATOM 0 HA ARG A 45 3.907 13.852 6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.759 12.913 5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.589 11.373 5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.938 11.935 8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.721 13.173 8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.094 11.504 7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.310 10.243 7.429 1.00 0.00 H new ATOM 0 HE ARG A 45 1.144 10.084 9.732 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.820 12.917 8.806 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.518 13.042 10.424 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.230 10.277 11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.931 11.566 12.048 1.00 0.00 H new ATOM 725 N GLU A 46 5.491 11.948 7.649 1.00 0.00 N ATOM 726 CA GLU A 46 6.376 10.857 8.012 1.00 0.00 C ATOM 727 C GLU A 46 5.577 9.618 8.366 1.00 0.00 C ATOM 728 O GLU A 46 4.452 9.656 8.867 1.00 0.00 O ATOM 729 CB GLU A 46 7.215 11.250 9.224 1.00 0.00 C ATOM 730 CG GLU A 46 8.435 12.048 8.793 1.00 0.00 C ATOM 731 CD GLU A 46 9.373 12.362 9.959 1.00 0.00 C ATOM 732 OE1 GLU A 46 9.006 12.080 11.125 1.00 0.00 O ATOM 733 OE2 GLU A 46 10.460 12.910 9.644 1.00 0.00 O ATOM 0 H GLU A 46 5.281 12.587 8.416 1.00 0.00 H new ATOM 0 HA GLU A 46 7.020 10.646 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.613 11.840 9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.530 10.355 9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.981 11.489 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.110 12.980 8.331 1.00 0.00 H new ATOM 740 N VAL A 47 6.213 8.489 8.108 1.00 0.00 N ATOM 741 CA VAL A 47 5.770 7.170 8.215 1.00 0.00 C ATOM 742 C VAL A 47 6.925 6.307 8.718 1.00 0.00 C ATOM 743 O VAL A 47 8.080 6.711 8.809 1.00 0.00 O ATOM 744 CB VAL A 47 5.472 6.901 6.750 1.00 0.00 C ATOM 745 CG1 VAL A 47 4.729 5.666 6.650 1.00 0.00 C ATOM 746 CG2 VAL A 47 4.815 8.012 5.898 1.00 0.00 C ATOM 0 H VAL A 47 7.177 8.516 7.777 1.00 0.00 H new ATOM 0 HA VAL A 47 4.937 6.977 8.891 1.00 0.00 H new ATOM 0 HB VAL A 47 6.460 6.847 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.507 5.459 5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.322 4.850 7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.797 5.756 7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.673 7.653 4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.849 8.276 6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.459 8.891 5.887 1.00 0.00 H new ATOM 756 N LYS A 48 6.644 5.061 9.010 1.00 0.00 N ATOM 757 CA LYS A 48 7.511 4.019 9.540 1.00 0.00 C ATOM 758 C LYS A 48 7.056 2.759 8.809 1.00 0.00 C ATOM 759 O LYS A 48 5.971 2.776 8.238 1.00 0.00 O ATOM 760 CB LYS A 48 7.232 3.896 11.051 1.00 0.00 C ATOM 761 CG LYS A 48 8.022 4.889 11.903 1.00 0.00 C ATOM 762 CD LYS A 48 7.374 5.083 13.280 1.00 0.00 C ATOM 763 CE LYS A 48 8.163 6.037 14.188 1.00 0.00 C ATOM 764 NZ LYS A 48 9.091 5.331 15.102 1.00 0.00 N ATOM 0 H LYS A 48 5.698 4.706 8.869 1.00 0.00 H new ATOM 0 HA LYS A 48 8.576 4.207 9.404 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.167 4.045 11.228 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.470 2.883 11.374 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.044 4.532 12.027 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.080 5.848 11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.363 5.469 13.148 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.283 4.115 13.772 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.730 6.733 13.569 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.464 6.631 14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.595 6.026 15.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.552 4.686 15.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.779 4.785 14.545 1.00 0.00 H new ATOM 778 N LYS A 49 7.785 1.646 8.903 1.00 0.00 N ATOM 779 CA LYS A 49 7.460 0.343 8.287 1.00 0.00 C ATOM 780 C LYS A 49 6.238 -0.386 8.843 1.00 0.00 C ATOM 781 O LYS A 49 6.067 -1.594 8.656 1.00 0.00 O ATOM 782 CB LYS A 49 8.709 -0.552 8.318 1.00 0.00 C ATOM 783 CG LYS A 49 9.163 -1.045 9.711 1.00 0.00 C ATOM 784 CD LYS A 49 8.484 -2.351 10.173 1.00 0.00 C ATOM 785 CE LYS A 49 9.282 -3.111 11.237 1.00 0.00 C ATOM 786 NZ LYS A 49 10.523 -3.708 10.695 1.00 0.00 N ATOM 0 H LYS A 49 8.657 1.619 9.432 1.00 0.00 H new ATOM 0 HA LYS A 49 7.163 0.570 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.521 -1.424 7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.534 -0.004 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.242 -1.196 9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.960 -0.264 10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.496 -2.117 10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.336 -2.999 9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.535 -2.432 12.051 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.659 -3.898 11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.920 -4.373 11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.308 -4.215 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.215 -2.956 10.502 1.00 0.00 H new ATOM 800 N GLY A 50 5.441 0.350 9.590 1.00 0.00 N ATOM 801 CA GLY A 50 4.086 0.038 9.940 1.00 0.00 C ATOM 802 C GLY A 50 3.553 1.334 10.527 1.00 0.00 C ATOM 803 O GLY A 50 3.812 1.635 11.691 1.00 0.00 O ATOM 0 H GLY A 50 5.750 1.236 9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.510 -0.273 9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.037 -0.777 10.662 1.00 0.00 H new ATOM 807 N GLU A 51 2.934 2.181 9.709 1.00 0.00 N ATOM 808 CA GLU A 51 2.232 3.367 10.176 1.00 0.00 C ATOM 809 C GLU A 51 0.996 3.540 9.294 1.00 0.00 C ATOM 810 O GLU A 51 1.050 3.305 8.088 1.00 0.00 O ATOM 811 CB GLU A 51 3.136 4.612 10.135 1.00 0.00 C ATOM 812 CG GLU A 51 3.312 5.379 11.458 1.00 0.00 C ATOM 813 CD GLU A 51 2.035 5.966 12.097 1.00 0.00 C ATOM 814 OE1 GLU A 51 0.992 5.273 12.143 1.00 0.00 O ATOM 815 OE2 GLU A 51 2.114 7.118 12.597 1.00 0.00 O ATOM 0 H GLU A 51 2.907 2.060 8.697 1.00 0.00 H new ATOM 0 HA GLU A 51 1.938 3.246 11.219 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.122 4.306 9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.734 5.301 9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.776 4.708 12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.013 6.196 11.286 1.00 0.00 H new ATOM 822 N VAL A 52 -0.100 3.969 9.900 1.00 0.00 N ATOM 823 CA VAL A 52 -1.493 3.960 9.455 1.00 0.00 C ATOM 824 C VAL A 52 -1.774 5.108 8.475 1.00 0.00 C ATOM 825 O VAL A 52 -2.848 5.702 8.420 1.00 0.00 O ATOM 826 CB VAL A 52 -2.344 3.996 10.743 1.00 0.00 C ATOM 827 CG1 VAL A 52 -3.835 4.281 10.550 1.00 0.00 C ATOM 828 CG2 VAL A 52 -2.112 2.719 11.567 1.00 0.00 C ATOM 0 H VAL A 52 -0.029 4.383 10.829 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.744 3.068 8.881 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.989 4.866 11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.334 4.283 11.519 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.961 5.254 10.076 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.274 3.509 9.917 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.717 2.756 12.473 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.396 1.848 10.976 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.058 2.647 11.837 1.00 0.00 H new ATOM 838 N VAL A 53 -0.786 5.482 7.687 1.00 0.00 N ATOM 839 CA VAL A 53 -0.855 6.684 6.878 1.00 0.00 C ATOM 840 C VAL A 53 -1.903 6.553 5.739 1.00 0.00 C ATOM 841 O VAL A 53 -2.034 7.483 4.958 1.00 0.00 O ATOM 842 CB VAL A 53 0.570 7.053 6.415 1.00 0.00 C ATOM 843 CG1 VAL A 53 1.542 7.260 7.595 1.00 0.00 C ATOM 844 CG2 VAL A 53 1.109 5.968 5.492 1.00 0.00 C ATOM 0 H VAL A 53 0.086 4.963 7.589 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.224 7.522 7.469 1.00 0.00 H new ATOM 0 HB VAL A 53 0.500 8.001 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.529 7.518 7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.177 8.067 8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.607 6.341 8.178 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.115 6.233 5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.138 5.018 6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.460 5.875 4.621 1.00 0.00 H new ATOM 854 N ALA A 54 -2.647 5.444 5.612 1.00 0.00 N ATOM 855 CA ALA A 54 -3.749 5.301 4.667 1.00 0.00 C ATOM 856 C ALA A 54 -4.801 4.348 5.231 1.00 0.00 C ATOM 857 O ALA A 54 -4.921 3.193 4.836 1.00 0.00 O ATOM 858 CB ALA A 54 -3.214 4.831 3.312 1.00 0.00 C ATOM 0 H ALA A 54 -2.491 4.609 6.177 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.231 6.266 4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.042 4.726 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.503 5.563 2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.715 3.869 3.431 1.00 0.00 H new ATOM 864 N SER A 55 -5.557 4.790 6.214 1.00 0.00 N ATOM 865 CA SER A 55 -6.698 4.033 6.684 1.00 0.00 C ATOM 866 C SER A 55 -7.735 3.868 5.564 1.00 0.00 C ATOM 867 O SER A 55 -7.722 4.576 4.561 1.00 0.00 O ATOM 868 CB SER A 55 -7.268 4.796 7.877 1.00 0.00 C ATOM 869 OG SER A 55 -7.712 3.959 8.912 1.00 0.00 O ATOM 0 H SER A 55 -5.402 5.671 6.704 1.00 0.00 H new ATOM 0 HA SER A 55 -6.411 3.025 6.984 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.505 5.470 8.266 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.098 5.416 7.539 1.00 0.00 H new ATOM 0 HG SER A 55 -6.945 3.499 9.313 1.00 0.00 H new ATOM 875 N ILE A 56 -8.673 2.943 5.734 1.00 0.00 N ATOM 876 CA ILE A 56 -9.741 2.696 4.768 1.00 0.00 C ATOM 877 C ILE A 56 -11.042 2.561 5.566 1.00 0.00 C ATOM 878 O ILE A 56 -11.005 2.102 6.707 1.00 0.00 O ATOM 879 CB ILE A 56 -9.426 1.441 3.899 1.00 0.00 C ATOM 880 CG1 ILE A 56 -7.939 1.204 3.547 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.301 1.487 2.623 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.666 -0.257 3.149 1.00 0.00 C ATOM 0 H ILE A 56 -8.715 2.337 6.553 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.836 3.518 4.059 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.671 0.581 4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.651 1.863 2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.317 1.469 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.090 0.614 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.354 1.487 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.076 2.393 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.609 -0.378 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.928 -0.915 3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.267 -0.515 2.277 1.00 0.00 H new ATOM 894 N GLU A 57 -12.207 2.888 4.996 1.00 0.00 N ATOM 895 CA GLU A 57 -13.498 2.643 5.644 1.00 0.00 C ATOM 896 C GLU A 57 -14.456 2.095 4.604 1.00 0.00 C ATOM 897 O GLU A 57 -14.619 2.708 3.560 1.00 0.00 O ATOM 898 CB GLU A 57 -14.097 3.908 6.301 1.00 0.00 C ATOM 899 CG GLU A 57 -14.211 3.773 7.818 1.00 0.00 C ATOM 900 CD GLU A 57 -15.644 4.013 8.319 1.00 0.00 C ATOM 901 OE1 GLU A 57 -16.050 5.169 8.546 1.00 0.00 O ATOM 902 OE2 GLU A 57 -16.441 3.045 8.413 1.00 0.00 O ATOM 0 H GLU A 57 -12.281 3.327 4.078 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.340 1.927 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.474 4.769 6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.084 4.101 5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.886 2.777 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.538 4.485 8.295 1.00 0.00 H new ATOM 909 N SER A 58 -15.025 0.920 4.868 1.00 0.00 N ATOM 910 CA SER A 58 -15.841 0.155 3.928 1.00 0.00 C ATOM 911 C SER A 58 -17.310 0.257 4.382 1.00 0.00 C ATOM 912 O SER A 58 -17.644 1.032 5.287 1.00 0.00 O ATOM 913 CB SER A 58 -15.291 -1.292 3.812 1.00 0.00 C ATOM 914 OG SER A 58 -16.020 -2.107 2.936 1.00 0.00 O ATOM 0 H SER A 58 -14.927 0.459 5.773 1.00 0.00 H new ATOM 0 HA SER A 58 -15.793 0.556 2.916 1.00 0.00 H new ATOM 0 HB2 SER A 58 -14.255 -1.251 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.288 -1.750 4.801 1.00 0.00 H new ATOM 0 HG SER A 58 -15.560 -2.966 2.829 1.00 0.00 H new ATOM 920 N VAL A 59 -18.189 -0.546 3.780 1.00 0.00 N ATOM 921 CA VAL A 59 -19.588 -0.701 4.177 1.00 0.00 C ATOM 922 C VAL A 59 -19.730 -0.918 5.686 1.00 0.00 C ATOM 923 O VAL A 59 -20.719 -0.468 6.265 1.00 0.00 O ATOM 924 CB VAL A 59 -20.243 -1.870 3.409 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.730 -1.433 2.024 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.360 -3.125 3.313 1.00 0.00 C ATOM 0 H VAL A 59 -17.938 -1.124 2.978 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.102 0.226 3.923 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.109 -2.157 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.185 -2.282 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.467 -0.637 2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.885 -1.069 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.889 -3.901 2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.433 -2.879 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.131 -3.486 4.316 1.00 0.00 H new ATOM 936 N LYS A 60 -18.756 -1.604 6.303 1.00 0.00 N ATOM 937 CA LYS A 60 -18.675 -1.878 7.735 1.00 0.00 C ATOM 938 C LYS A 60 -17.310 -2.454 8.157 1.00 0.00 C ATOM 939 O LYS A 60 -17.226 -3.105 9.198 1.00 0.00 O ATOM 940 CB LYS A 60 -19.834 -2.810 8.151 1.00 0.00 C ATOM 941 CG LYS A 60 -19.936 -4.075 7.285 1.00 0.00 C ATOM 942 CD LYS A 60 -21.094 -4.943 7.762 1.00 0.00 C ATOM 943 CE LYS A 60 -21.359 -6.038 6.734 1.00 0.00 C ATOM 944 NZ LYS A 60 -22.434 -6.923 7.207 1.00 0.00 N ATOM 0 H LYS A 60 -17.969 -1.999 5.788 1.00 0.00 H new ATOM 0 HA LYS A 60 -18.771 -0.928 8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -19.701 -3.101 9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.773 -2.260 8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.084 -3.800 6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -19.004 -4.637 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.857 -5.386 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.987 -4.334 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -21.638 -5.592 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -20.450 -6.615 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -22.608 -7.666 6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -22.152 -7.361 8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -23.303 -6.369 7.348 1.00 0.00 H new ATOM 958 N ALA A 61 -16.255 -2.305 7.342 1.00 0.00 N ATOM 959 CA ALA A 61 -14.911 -2.742 7.720 1.00 0.00 C ATOM 960 C ALA A 61 -13.967 -1.556 7.884 1.00 0.00 C ATOM 961 O ALA A 61 -14.099 -0.567 7.151 1.00 0.00 O ATOM 962 CB ALA A 61 -14.344 -3.629 6.624 1.00 0.00 C ATOM 0 H ALA A 61 -16.312 -1.883 6.415 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.991 -3.277 8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.342 -3.956 6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.987 -4.499 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.296 -3.068 5.691 1.00 0.00 H new ATOM 968 N ALA A 62 -12.949 -1.722 8.727 1.00 0.00 N ATOM 969 CA ALA A 62 -11.866 -0.776 8.925 1.00 0.00 C ATOM 970 C ALA A 62 -10.573 -1.547 9.270 1.00 0.00 C ATOM 971 O ALA A 62 -10.555 -2.422 10.140 1.00 0.00 O ATOM 972 CB ALA A 62 -12.247 0.195 10.030 1.00 0.00 C ATOM 0 H ALA A 62 -12.858 -2.553 9.311 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.688 -0.204 8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.437 0.908 10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.153 0.731 9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.424 -0.356 10.953 1.00 0.00 H new ATOM 978 N ALA A 63 -9.512 -1.219 8.548 1.00 0.00 N ATOM 979 CA ALA A 63 -8.241 -1.873 8.320 1.00 0.00 C ATOM 980 C ALA A 63 -7.285 -0.758 7.894 1.00 0.00 C ATOM 981 O ALA A 63 -7.410 -0.222 6.788 1.00 0.00 O ATOM 982 CB ALA A 63 -8.350 -2.878 7.157 1.00 0.00 C ATOM 0 H ALA A 63 -9.535 -0.343 8.026 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.912 -2.410 9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.385 -3.360 7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.098 -3.634 7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.645 -2.353 6.249 1.00 0.00 H new ATOM 988 N ASP A 64 -6.356 -0.386 8.765 1.00 0.00 N ATOM 989 CA ASP A 64 -5.328 0.590 8.454 1.00 0.00 C ATOM 990 C ASP A 64 -4.408 -0.020 7.406 1.00 0.00 C ATOM 991 O ASP A 64 -4.021 -1.185 7.563 1.00 0.00 O ATOM 992 CB ASP A 64 -4.553 0.931 9.730 1.00 0.00 C ATOM 993 CG ASP A 64 -5.476 1.487 10.807 1.00 0.00 C ATOM 994 OD1 ASP A 64 -6.328 2.349 10.482 1.00 0.00 O ATOM 995 OD2 ASP A 64 -5.332 1.071 11.981 1.00 0.00 O ATOM 0 H ASP A 64 -6.297 -0.758 9.713 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.763 1.511 8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.052 0.038 10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.776 1.661 9.502 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.046 0.725 6.357 1.00 0.00 N ATOM 1001 CA VAL A 65 -2.920 0.327 5.515 1.00 0.00 C ATOM 1002 C VAL A 65 -1.686 0.735 6.303 1.00 0.00 C ATOM 1003 O VAL A 65 -1.544 1.916 6.640 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.976 1.028 4.156 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.787 0.773 3.235 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.249 0.588 3.423 1.00 0.00 C ATOM 0 H VAL A 65 -4.508 1.590 6.076 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.925 -0.740 5.294 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.959 2.094 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.928 1.316 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.872 1.115 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.710 -0.294 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.299 1.082 2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.231 -0.492 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.123 0.861 4.015 1.00 0.00 H new ATOM 1016 N TYR A 66 -0.826 -0.222 6.641 1.00 0.00 N ATOM 1017 CA TYR A 66 0.333 0.059 7.457 1.00 0.00 C ATOM 1018 C TYR A 66 1.534 0.105 6.545 1.00 0.00 C ATOM 1019 O TYR A 66 2.029 -0.940 6.118 1.00 0.00 O ATOM 1020 CB TYR A 66 0.553 -0.997 8.531 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.570 -1.229 9.495 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.678 -0.467 10.667 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.431 -2.305 9.261 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.607 -0.837 11.650 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -2.355 -2.686 10.233 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.452 -1.952 11.439 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.351 -2.329 12.387 1.00 0.00 O ATOM 0 H TYR A 66 -0.917 -1.198 6.358 1.00 0.00 H new ATOM 0 HA TYR A 66 0.180 1.008 7.970 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.776 -1.942 8.036 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.439 -0.720 9.103 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.050 0.399 10.812 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.380 -2.842 8.325 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.677 -0.271 12.567 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.995 -3.539 10.066 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.848 -3.113 12.073 1.00 0.00 H new ATOM 1037 N ALA A 67 2.012 1.321 6.297 1.00 0.00 N ATOM 1038 CA ALA A 67 3.085 1.601 5.360 1.00 0.00 C ATOM 1039 C ALA A 67 4.190 0.550 5.413 1.00 0.00 C ATOM 1040 O ALA A 67 4.674 0.242 6.503 1.00 0.00 O ATOM 1041 CB ALA A 67 3.713 2.943 5.688 1.00 0.00 C ATOM 0 H ALA A 67 1.652 2.157 6.756 1.00 0.00 H new ATOM 0 HA ALA A 67 2.642 1.598 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.518 3.150 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.958 3.725 5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.115 2.919 6.701 1.00 0.00 H new ATOM 1047 N PRO A 68 4.638 0.043 4.261 1.00 0.00 N ATOM 1048 CA PRO A 68 5.466 -1.151 4.197 1.00 0.00 C ATOM 1049 C PRO A 68 6.870 -0.949 4.762 1.00 0.00 C ATOM 1050 O PRO A 68 7.531 -1.917 5.137 1.00 0.00 O ATOM 1051 CB PRO A 68 5.526 -1.491 2.703 1.00 0.00 C ATOM 1052 CG PRO A 68 5.270 -0.151 2.006 1.00 0.00 C ATOM 1053 CD PRO A 68 4.258 0.488 2.935 1.00 0.00 C ATOM 0 HA PRO A 68 5.042 -1.948 4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.496 -1.905 2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.774 -2.232 2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.178 0.445 1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.876 -0.282 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.284 1.575 2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.243 0.176 2.689 1.00 0.00 H new ATOM 1061 N LEU A 69 7.358 0.290 4.737 1.00 0.00 N ATOM 1062 CA LEU A 69 8.758 0.644 4.903 1.00 0.00 C ATOM 1063 C LEU A 69 8.810 2.000 5.575 1.00 0.00 C ATOM 1064 O LEU A 69 7.919 2.826 5.363 1.00 0.00 O ATOM 1065 CB LEU A 69 9.398 0.800 3.524 1.00 0.00 C ATOM 1066 CG LEU A 69 9.617 -0.517 2.775 1.00 0.00 C ATOM 1067 CD1 LEU A 69 9.570 -0.279 1.273 1.00 0.00 C ATOM 1068 CD2 LEU A 69 10.931 -1.172 3.175 1.00 0.00 C ATOM 0 H LEU A 69 6.761 1.104 4.594 1.00 0.00 H new ATOM 0 HA LEU A 69 9.275 -0.120 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.768 1.449 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.358 1.303 3.637 1.00 0.00 H new ATOM 0 HG LEU A 69 8.813 -1.200 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.727 -1.222 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.597 0.130 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.352 0.426 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.055 -2.105 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.758 -0.501 2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.923 -1.380 4.245 1.00 0.00 H new ATOM 1080 N SER A 70 9.863 2.273 6.333 1.00 0.00 N ATOM 1081 CA SER A 70 10.018 3.583 6.938 1.00 0.00 C ATOM 1082 C SER A 70 10.386 4.586 5.843 1.00 0.00 C ATOM 1083 O SER A 70 11.252 4.317 5.011 1.00 0.00 O ATOM 1084 CB SER A 70 11.019 3.494 8.083 1.00 0.00 C ATOM 1085 OG SER A 70 10.723 2.364 8.901 1.00 0.00 O ATOM 0 H SER A 70 10.612 1.613 6.540 1.00 0.00 H new ATOM 0 HA SER A 70 9.091 3.941 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.031 3.412 7.687 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.983 4.405 8.680 1.00 0.00 H new ATOM 0 HG SER A 70 11.371 2.312 9.634 1.00 0.00 H new ATOM 1091 N GLY A 71 9.658 5.699 5.759 1.00 0.00 N ATOM 1092 CA GLY A 71 9.767 6.641 4.655 1.00 0.00 C ATOM 1093 C GLY A 71 8.867 7.848 4.849 1.00 0.00 C ATOM 1094 O GLY A 71 8.268 8.034 5.911 1.00 0.00 O ATOM 0 H GLY A 71 8.972 5.971 6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.801 6.971 4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.506 6.140 3.723 1.00 0.00 H new ATOM 1098 N LYS A 72 8.757 8.677 3.812 1.00 0.00 N ATOM 1099 CA LYS A 72 8.001 9.928 3.861 1.00 0.00 C ATOM 1100 C LYS A 72 7.046 9.977 2.704 1.00 0.00 C ATOM 1101 O LYS A 72 7.495 9.767 1.589 1.00 0.00 O ATOM 1102 CB LYS A 72 8.969 11.104 3.744 1.00 0.00 C ATOM 1103 CG LYS A 72 8.370 12.423 4.252 1.00 0.00 C ATOM 1104 CD LYS A 72 9.216 13.664 3.929 1.00 0.00 C ATOM 1105 CE LYS A 72 9.061 14.178 2.488 1.00 0.00 C ATOM 1106 NZ LYS A 72 9.890 13.460 1.497 1.00 0.00 N ATOM 0 H LYS A 72 9.193 8.498 2.907 1.00 0.00 H new ATOM 0 HA LYS A 72 7.452 9.984 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.874 10.881 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.265 11.223 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.378 12.550 3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.239 12.357 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.945 14.463 4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.266 13.431 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.014 14.097 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.319 15.237 2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.057 14.074 0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.801 13.202 1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.396 12.598 1.191 1.00 0.00 H new ATOM 1120 N ILE A 73 5.776 10.288 2.904 1.00 0.00 N ATOM 1121 CA ILE A 73 4.873 10.519 1.783 1.00 0.00 C ATOM 1122 C ILE A 73 5.446 11.648 0.928 1.00 0.00 C ATOM 1123 O ILE A 73 6.081 12.560 1.463 1.00 0.00 O ATOM 1124 CB ILE A 73 3.475 10.908 2.278 1.00 0.00 C ATOM 1125 CG1 ILE A 73 2.949 9.995 3.399 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.466 10.976 1.112 1.00 0.00 C ATOM 1127 CD1 ILE A 73 2.654 8.560 2.985 1.00 0.00 C ATOM 0 H ILE A 73 5.347 10.386 3.824 1.00 0.00 H new ATOM 0 HA ILE A 73 4.782 9.603 1.199 1.00 0.00 H new ATOM 0 HB ILE A 73 3.579 11.903 2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.681 9.980 4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.037 10.434 3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.485 11.254 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.797 11.720 0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.403 10.001 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.289 8.001 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.896 8.556 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.566 8.095 2.610 1.00 0.00 H new ATOM 1139 N VAL A 74 5.192 11.580 -0.376 1.00 0.00 N ATOM 1140 CA VAL A 74 5.366 12.691 -1.298 1.00 0.00 C ATOM 1141 C VAL A 74 4.293 12.725 -2.396 1.00 0.00 C ATOM 1142 O VAL A 74 4.279 13.664 -3.189 1.00 0.00 O ATOM 1143 CB VAL A 74 6.779 12.654 -1.918 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.879 12.988 -0.906 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.123 11.291 -2.546 1.00 0.00 C ATOM 0 H VAL A 74 4.852 10.731 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 74 5.250 13.608 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 74 6.748 13.418 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.851 12.947 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.716 13.990 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.854 12.266 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.128 11.327 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.076 10.516 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.408 11.064 -3.337 1.00 0.00 H new ATOM 1155 N GLU A 75 3.383 11.747 -2.483 1.00 0.00 N ATOM 1156 CA GLU A 75 2.234 11.819 -3.384 1.00 0.00 C ATOM 1157 C GLU A 75 1.097 11.018 -2.755 1.00 0.00 C ATOM 1158 O GLU A 75 1.342 10.097 -1.971 1.00 0.00 O ATOM 1159 CB GLU A 75 2.635 11.234 -4.750 1.00 0.00 C ATOM 1160 CG GLU A 75 2.124 12.020 -5.964 1.00 0.00 C ATOM 1161 CD GLU A 75 2.698 11.504 -7.289 1.00 0.00 C ATOM 1162 OE1 GLU A 75 3.826 10.953 -7.311 1.00 0.00 O ATOM 1163 OE2 GLU A 75 2.000 11.622 -8.321 1.00 0.00 O ATOM 0 H GLU A 75 3.425 10.889 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 75 1.909 12.848 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.723 11.181 -4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.263 10.212 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.036 11.962 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.384 13.072 -5.846 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.143 11.320 -3.123 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.336 10.596 -2.699 1.00 0.00 C ATOM 1172 C VAL A 76 -2.204 10.344 -3.939 1.00 0.00 C ATOM 1173 O VAL A 76 -1.993 10.991 -4.967 1.00 0.00 O ATOM 1174 CB VAL A 76 -2.075 11.362 -1.580 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.163 11.765 -0.403 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.819 12.600 -2.099 1.00 0.00 C ATOM 0 H VAL A 76 -0.352 12.101 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.073 9.632 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.807 10.647 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.749 12.299 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.731 10.870 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.364 12.411 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.320 13.098 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.107 13.286 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.559 12.296 -2.839 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.191 9.452 -3.851 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.067 9.119 -4.964 1.00 0.00 C ATOM 1188 C ASN A 77 -5.476 9.628 -4.707 1.00 0.00 C ATOM 1189 O ASN A 77 -6.347 8.853 -4.312 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.100 7.606 -5.243 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.850 7.320 -6.535 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.996 8.216 -7.361 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -5.339 6.101 -6.726 1.00 0.00 N ATOM 0 H ASN A 77 -3.403 8.938 -2.996 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.660 9.611 -5.847 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.083 7.221 -5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.581 7.087 -4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.854 5.886 -7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.200 5.379 -6.019 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.741 10.905 -4.993 1.00 0.00 N ATOM 1201 CA GLU A 78 -7.088 11.461 -4.904 1.00 0.00 C ATOM 1202 C GLU A 78 -8.076 10.809 -5.883 1.00 0.00 C ATOM 1203 O GLU A 78 -9.240 11.201 -5.930 1.00 0.00 O ATOM 1204 CB GLU A 78 -7.067 12.977 -5.131 1.00 0.00 C ATOM 1205 CG GLU A 78 -6.386 13.786 -4.021 1.00 0.00 C ATOM 1206 CD GLU A 78 -6.550 15.285 -4.287 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -7.702 15.771 -4.356 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -5.510 15.961 -4.485 1.00 0.00 O ATOM 0 H GLU A 78 -5.032 11.576 -5.290 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.437 11.242 -3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.559 13.182 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.093 13.328 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.821 13.530 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.327 13.531 -3.972 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.679 9.810 -6.677 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.651 9.000 -7.384 1.00 0.00 C ATOM 1217 C LYS A 79 -9.516 8.281 -6.360 1.00 0.00 C ATOM 1218 O LYS A 79 -10.730 8.326 -6.529 1.00 0.00 O ATOM 1219 CB LYS A 79 -7.992 8.035 -8.367 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.295 8.771 -9.526 1.00 0.00 C ATOM 1221 CD LYS A 79 -6.162 7.992 -10.215 1.00 0.00 C ATOM 1222 CE LYS A 79 -6.595 7.063 -11.342 1.00 0.00 C ATOM 1223 NZ LYS A 79 -6.961 7.756 -12.586 1.00 0.00 N ATOM 0 H LYS A 79 -6.705 9.553 -6.839 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.282 9.645 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.263 7.422 -7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.746 7.358 -8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.045 9.027 -10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.890 9.709 -9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.443 8.708 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.640 7.402 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.786 6.364 -11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.446 6.472 -11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.897 7.093 -13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.934 8.114 -12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.310 8.552 -12.744 1.00 0.00 H new ATOM 1237 N LEU A 80 -8.951 7.719 -5.276 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.706 7.013 -4.249 1.00 0.00 C ATOM 1239 C LEU A 80 -10.812 7.864 -3.599 1.00 0.00 C ATOM 1240 O LEU A 80 -11.701 7.307 -2.958 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.718 6.527 -3.183 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.662 5.495 -3.637 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -6.816 5.210 -2.434 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -8.282 4.232 -4.237 1.00 0.00 C ATOM 0 H LEU A 80 -7.948 7.748 -5.095 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.220 6.179 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.195 7.395 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.289 6.092 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.057 5.896 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.047 4.483 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.344 6.132 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.441 4.808 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.490 3.545 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.918 3.750 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.880 4.499 -5.108 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.794 9.186 -3.796 1.00 0.00 N ATOM 1257 CA ASP A 81 -11.802 10.153 -3.356 1.00 0.00 C ATOM 1258 C ASP A 81 -13.171 9.829 -3.973 1.00 0.00 C ATOM 1259 O ASP A 81 -14.207 9.936 -3.309 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.309 11.547 -3.784 1.00 0.00 C ATOM 1261 CG ASP A 81 -11.965 12.737 -3.090 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -13.211 12.812 -3.032 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -11.213 13.658 -2.686 1.00 0.00 O ATOM 0 H ASP A 81 -10.028 9.636 -4.298 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.932 10.115 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.234 11.599 -3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.463 11.650 -4.858 1.00 0.00 H new ATOM 1268 N THR A 82 -13.178 9.367 -5.230 1.00 0.00 N ATOM 1269 CA THR A 82 -14.384 9.021 -5.978 1.00 0.00 C ATOM 1270 C THR A 82 -14.320 7.611 -6.568 1.00 0.00 C ATOM 1271 O THR A 82 -15.350 7.039 -6.925 1.00 0.00 O ATOM 1272 CB THR A 82 -14.739 10.116 -7.007 1.00 0.00 C ATOM 1273 OG1 THR A 82 -13.990 10.013 -8.201 1.00 0.00 O ATOM 1274 CG2 THR A 82 -14.583 11.542 -6.467 1.00 0.00 C ATOM 0 H THR A 82 -12.321 9.221 -5.764 1.00 0.00 H new ATOM 0 HA THR A 82 -15.215 8.989 -5.274 1.00 0.00 H new ATOM 0 HB THR A 82 -15.793 9.935 -7.220 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.256 10.728 -8.816 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.850 12.257 -7.245 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.239 11.679 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.549 11.705 -6.164 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.145 6.982 -6.555 1.00 0.00 N ATOM 1283 CA GLU A 83 -12.900 5.610 -6.967 1.00 0.00 C ATOM 1284 C GLU A 83 -12.394 4.757 -5.791 1.00 0.00 C ATOM 1285 O GLU A 83 -11.320 4.154 -5.861 1.00 0.00 O ATOM 1286 CB GLU A 83 -11.903 5.665 -8.141 1.00 0.00 C ATOM 1287 CG GLU A 83 -12.504 6.041 -9.493 1.00 0.00 C ATOM 1288 CD GLU A 83 -13.317 4.912 -10.132 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -13.627 3.919 -9.441 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -13.560 5.038 -11.359 1.00 0.00 O ATOM 0 H GLU A 83 -12.294 7.447 -6.238 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.820 5.125 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.121 6.384 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.423 4.691 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.145 6.914 -9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.701 6.330 -10.172 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.150 4.646 -4.687 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.806 3.767 -3.591 1.00 0.00 C ATOM 1299 C PRO A 84 -13.104 2.320 -3.963 1.00 0.00 C ATOM 1300 O PRO A 84 -12.549 1.421 -3.331 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.656 4.224 -2.411 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.898 4.818 -3.065 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.453 5.224 -4.465 1.00 0.00 C ATOM 0 HA PRO A 84 -11.745 3.812 -3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.909 3.392 -1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.132 4.962 -1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.709 4.091 -3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.267 5.677 -2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.163 4.869 -5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.412 6.309 -4.555 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.930 2.061 -4.985 1.00 0.00 N ATOM 1312 CA GLU A 85 -14.112 0.715 -5.507 1.00 0.00 C ATOM 1313 C GLU A 85 -12.902 0.260 -6.326 1.00 0.00 C ATOM 1314 O GLU A 85 -12.783 -0.924 -6.602 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.412 0.550 -6.320 1.00 0.00 C ATOM 1316 CG GLU A 85 -15.530 1.383 -7.609 1.00 0.00 C ATOM 1317 CD GLU A 85 -16.634 0.852 -8.542 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -17.772 0.601 -8.076 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -16.384 0.613 -9.748 1.00 0.00 O ATOM 0 H GLU A 85 -14.481 2.774 -5.463 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.202 0.069 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.517 -0.502 -6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.252 0.802 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.742 2.421 -7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.575 1.373 -8.135 1.00 0.00 H new ATOM 1326 N LEU A 86 -11.973 1.131 -6.730 1.00 0.00 N ATOM 1327 CA LEU A 86 -10.909 0.750 -7.635 1.00 0.00 C ATOM 1328 C LEU A 86 -9.963 -0.257 -6.972 1.00 0.00 C ATOM 1329 O LEU A 86 -9.342 -1.078 -7.640 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.159 2.016 -8.073 1.00 0.00 C ATOM 1331 CG LEU A 86 -9.646 2.047 -9.519 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.082 0.702 -9.931 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -10.691 2.482 -10.541 1.00 0.00 C ATOM 0 H LEU A 86 -11.945 2.108 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.331 0.261 -8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.820 2.870 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.308 2.155 -7.407 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.860 2.802 -9.519 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.727 0.756 -10.960 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.253 0.439 -9.274 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.860 -0.057 -9.855 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.249 2.478 -11.537 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.535 1.792 -10.515 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.037 3.488 -10.302 1.00 0.00 H new ATOM 1345 N ILE A 87 -9.883 -0.266 -5.644 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.136 -1.286 -4.927 1.00 0.00 C ATOM 1347 C ILE A 87 -9.748 -2.683 -5.179 1.00 0.00 C ATOM 1348 O ILE A 87 -9.049 -3.674 -5.037 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.038 -0.872 -3.447 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.386 0.519 -3.249 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.241 -1.867 -2.613 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -9.263 1.431 -2.386 1.00 0.00 C ATOM 0 H ILE A 87 -10.330 0.427 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.113 -1.367 -5.295 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.074 -0.844 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.409 0.401 -2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.219 0.985 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.203 -1.527 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.721 -2.845 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.228 -1.943 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.775 2.399 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.230 1.569 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.408 0.975 -1.406 1.00 0.00 H new ATOM 1364 N ASN A 88 -10.993 -2.825 -5.646 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.446 -4.082 -6.250 1.00 0.00 C ATOM 1366 C ASN A 88 -10.862 -4.269 -7.642 1.00 0.00 C ATOM 1367 O ASN A 88 -10.410 -5.360 -8.005 1.00 0.00 O ATOM 1368 CB ASN A 88 -12.955 -4.080 -6.474 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.740 -4.433 -5.218 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.198 -5.567 -5.080 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.841 -3.507 -4.276 1.00 0.00 N ATOM 0 H ASN A 88 -11.700 -2.091 -5.618 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.131 -4.864 -5.559 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.264 -3.095 -6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.201 -4.791 -7.262 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.312 -3.723 -3.397 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.448 -2.578 -4.429 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.072 -3.245 -8.473 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.010 -3.314 -9.920 1.00 0.00 C ATOM 1380 C LYS A 89 -9.574 -3.544 -10.368 1.00 0.00 C ATOM 1381 O LYS A 89 -9.316 -4.464 -11.144 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.626 -2.035 -10.501 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.615 -2.319 -11.627 1.00 0.00 C ATOM 1384 CD LYS A 89 -11.913 -2.647 -12.948 1.00 0.00 C ATOM 1385 CE LYS A 89 -11.177 -1.423 -13.517 1.00 0.00 C ATOM 1386 NZ LYS A 89 -10.049 -1.797 -14.393 1.00 0.00 N ATOM 0 H LYS A 89 -11.299 -2.310 -8.134 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.588 -4.159 -10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.133 -1.487 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.831 -1.391 -10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.257 -3.153 -11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.261 -1.453 -11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.203 -3.459 -12.791 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.647 -3.000 -13.673 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.881 -0.809 -14.079 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.806 -0.811 -12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.597 -0.937 -14.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.354 -2.346 -13.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.400 -2.372 -15.185 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.660 -2.704 -9.893 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.233 -2.753 -10.171 1.00 0.00 C ATOM 1402 C ASP A 90 -6.519 -2.267 -8.901 1.00 0.00 C ATOM 1403 O ASP A 90 -5.947 -1.170 -8.890 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.888 -1.909 -11.421 1.00 0.00 C ATOM 1405 CG ASP A 90 -6.795 -2.732 -12.698 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -7.839 -2.960 -13.343 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -5.650 -3.040 -13.106 1.00 0.00 O ATOM 0 H ASP A 90 -8.909 -1.933 -9.273 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.902 -3.764 -10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.646 -1.137 -11.550 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.939 -1.399 -11.256 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.526 -3.062 -7.810 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.858 -2.707 -6.562 1.00 0.00 C ATOM 1414 C PRO A 91 -4.371 -2.506 -6.743 1.00 0.00 C ATOM 1415 O PRO A 91 -3.752 -1.840 -5.915 1.00 0.00 O ATOM 1416 CB PRO A 91 -6.045 -3.879 -5.600 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.522 -5.040 -6.470 1.00 0.00 C ATOM 1418 CD PRO A 91 -7.121 -4.382 -7.711 1.00 0.00 C ATOM 0 HA PRO A 91 -6.287 -1.775 -6.195 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.112 -4.125 -5.093 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.775 -3.641 -4.827 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.697 -5.701 -6.733 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.262 -5.646 -5.948 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.907 -4.971 -8.603 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.206 -4.313 -7.627 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.804 -3.109 -7.786 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.393 -3.127 -8.085 1.00 0.00 C ATOM 1428 C GLU A 92 -2.155 -2.461 -9.451 1.00 0.00 C ATOM 1429 O GLU A 92 -1.206 -2.770 -10.168 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.758 -4.512 -7.805 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.642 -5.601 -7.123 1.00 0.00 C ATOM 1432 CD GLU A 92 -1.889 -6.778 -6.482 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -0.652 -6.902 -6.634 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -2.532 -7.596 -5.782 1.00 0.00 O ATOM 0 H GLU A 92 -4.354 -3.622 -8.475 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.822 -2.507 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.405 -4.915 -8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.879 -4.356 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.246 -5.120 -6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.331 -5.999 -7.867 1.00 0.00 H new ATOM 1441 N GLY A 93 -3.009 -1.481 -9.774 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.851 -0.527 -10.856 1.00 0.00 C ATOM 1443 C GLY A 93 -3.341 0.843 -10.388 1.00 0.00 C ATOM 1444 O GLY A 93 -2.722 1.471 -9.525 1.00 0.00 O ATOM 0 H GLY A 93 -3.873 -1.333 -9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.805 -0.470 -11.158 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.417 -0.851 -11.729 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.463 1.314 -10.941 1.00 0.00 N ATOM 1449 CA GLU A 94 -5.009 2.650 -10.671 1.00 0.00 C ATOM 1450 C GLU A 94 -5.635 2.774 -9.275 1.00 0.00 C ATOM 1451 O GLU A 94 -5.911 3.889 -8.839 1.00 0.00 O ATOM 1452 CB GLU A 94 -6.000 3.059 -11.776 1.00 0.00 C ATOM 1453 CG GLU A 94 -5.285 3.423 -13.088 1.00 0.00 C ATOM 1454 CD GLU A 94 -5.385 4.912 -13.436 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -6.472 5.355 -13.867 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -4.395 5.650 -13.217 1.00 0.00 O ATOM 0 H GLU A 94 -5.025 0.772 -11.597 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.170 3.346 -10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.697 2.241 -11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.590 3.911 -11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.234 3.144 -13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.712 2.837 -13.902 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.799 1.676 -8.537 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.283 1.661 -7.162 1.00 0.00 C ATOM 1465 C GLY A 95 -5.165 1.728 -6.119 1.00 0.00 C ATOM 1466 O GLY A 95 -5.386 1.305 -4.986 1.00 0.00 O ATOM 0 H GLY A 95 -5.591 0.744 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.958 2.504 -7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.866 0.754 -7.000 1.00 0.00 H new ATOM 1470 N TRP A 96 -3.974 2.225 -6.472 1.00 0.00 N ATOM 1471 CA TRP A 96 -2.944 2.613 -5.507 1.00 0.00 C ATOM 1472 C TRP A 96 -3.490 3.669 -4.543 1.00 0.00 C ATOM 1473 O TRP A 96 -4.550 4.243 -4.798 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.705 3.156 -6.233 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.856 4.442 -7.005 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.529 4.560 -8.173 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.368 5.796 -6.693 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.438 5.849 -8.641 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.767 6.659 -7.759 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.702 6.416 -5.602 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.505 8.032 -7.762 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.509 7.821 -5.561 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.866 8.614 -6.663 1.00 0.00 C ATOM 0 H TRP A 96 -3.698 2.370 -7.443 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.656 1.730 -4.937 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.918 3.299 -5.493 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.357 2.388 -6.924 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -3.060 3.759 -8.665 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.821 6.164 -9.532 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.336 5.807 -4.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.794 8.639 -8.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.087 8.281 -4.680 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.647 9.672 -6.662 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.753 3.967 -3.467 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.226 4.890 -2.439 1.00 0.00 C ATOM 1496 C LEU A 97 -2.297 6.080 -2.276 1.00 0.00 C ATOM 1497 O LEU A 97 -2.750 7.218 -2.285 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.354 4.213 -1.071 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.093 2.863 -0.992 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.250 1.905 -0.139 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.466 2.963 -0.329 1.00 0.00 C ATOM 0 H LEU A 97 -1.826 3.580 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.206 5.224 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.348 4.065 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.859 4.909 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.235 2.517 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.754 0.941 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.272 1.770 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.124 2.322 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.932 1.978 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.352 3.334 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.095 3.648 -0.897 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.000 5.847 -2.075 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.048 6.925 -1.872 1.00 0.00 C ATOM 1515 C PHE A 98 1.329 6.501 -2.343 1.00 0.00 C ATOM 1516 O PHE A 98 1.563 5.326 -2.639 1.00 0.00 O ATOM 1517 CB PHE A 98 -0.046 7.370 -0.399 1.00 0.00 C ATOM 1518 CG PHE A 98 0.499 6.355 0.585 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.873 6.330 0.881 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.371 5.476 1.253 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.358 5.485 1.891 1.00 0.00 C ATOM 1522 CE2 PHE A 98 0.128 4.598 2.232 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.492 4.607 2.556 1.00 0.00 C ATOM 0 H PHE A 98 -0.589 4.914 -2.049 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.347 7.787 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.541 8.285 -0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.067 7.619 -0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.555 6.961 0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.424 5.475 1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.404 5.512 2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.541 3.916 2.735 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.874 3.940 3.315 1.00 0.00 H new ATOM 1533 N LYS A 99 2.247 7.461 -2.403 1.00 0.00 N ATOM 1534 CA LYS A 99 3.630 7.231 -2.766 1.00 0.00 C ATOM 1535 C LYS A 99 4.518 7.876 -1.727 1.00 0.00 C ATOM 1536 O LYS A 99 4.203 8.954 -1.214 1.00 0.00 O ATOM 1537 CB LYS A 99 3.933 7.767 -4.164 1.00 0.00 C ATOM 1538 CG LYS A 99 2.996 7.178 -5.228 1.00 0.00 C ATOM 1539 CD LYS A 99 3.692 6.787 -6.526 1.00 0.00 C ATOM 1540 CE LYS A 99 4.070 7.993 -7.372 1.00 0.00 C ATOM 1541 NZ LYS A 99 4.247 7.613 -8.779 1.00 0.00 N ATOM 0 H LYS A 99 2.040 8.438 -2.195 1.00 0.00 H new ATOM 0 HA LYS A 99 3.824 6.159 -2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.841 8.853 -4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.966 7.535 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.502 6.299 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.216 7.906 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.590 6.214 -6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.037 6.134 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.295 8.755 -7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.991 8.434 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.504 8.453 -9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.003 6.903 -8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.359 7.214 -9.145 1.00 0.00 H new ATOM 1555 N MET A 100 5.608 7.201 -1.393 1.00 0.00 N ATOM 1556 CA MET A 100 6.479 7.567 -0.294 1.00 0.00 C ATOM 1557 C MET A 100 7.932 7.398 -0.701 1.00 0.00 C ATOM 1558 O MET A 100 8.264 6.456 -1.410 1.00 0.00 O ATOM 1559 CB MET A 100 6.158 6.746 0.965 1.00 0.00 C ATOM 1560 CG MET A 100 5.814 5.268 0.703 1.00 0.00 C ATOM 1561 SD MET A 100 5.680 4.153 2.144 1.00 0.00 S ATOM 1562 CE MET A 100 6.538 5.050 3.459 1.00 0.00 C ATOM 0 H MET A 100 5.915 6.366 -1.892 1.00 0.00 H new ATOM 0 HA MET A 100 6.307 8.616 -0.052 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.014 6.791 1.639 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.320 7.213 1.482 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.866 5.235 0.166 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.573 4.861 0.035 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.379 4.542 4.410 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.605 5.084 3.240 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.148 6.066 3.521 1.00 0.00 H new ATOM 1572 N GLU A 101 8.782 8.312 -0.245 1.00 0.00 N ATOM 1573 CA GLU A 101 10.215 8.314 -0.399 1.00 0.00 C ATOM 1574 C GLU A 101 10.753 7.183 0.457 1.00 0.00 C ATOM 1575 O GLU A 101 10.447 7.125 1.654 1.00 0.00 O ATOM 1576 CB GLU A 101 10.709 9.673 0.094 1.00 0.00 C ATOM 1577 CG GLU A 101 12.229 9.835 0.120 1.00 0.00 C ATOM 1578 CD GLU A 101 12.563 11.263 0.566 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.006 11.769 1.570 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.265 11.969 -0.188 1.00 0.00 O ATOM 0 H GLU A 101 8.455 9.124 0.278 1.00 0.00 H new ATOM 0 HA GLU A 101 10.543 8.166 -1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.286 10.450 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.323 9.841 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.675 9.112 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.647 9.640 -0.868 1.00 0.00 H new ATOM 1587 N ILE A 102 11.529 6.299 -0.162 1.00 0.00 N ATOM 1588 CA ILE A 102 12.206 5.224 0.526 1.00 0.00 C ATOM 1589 C ILE A 102 13.483 5.770 1.146 1.00 0.00 C ATOM 1590 O ILE A 102 14.509 5.905 0.479 1.00 0.00 O ATOM 1591 CB ILE A 102 12.445 4.016 -0.389 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.087 4.318 -1.760 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.082 3.360 -0.637 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.707 3.092 -2.427 1.00 0.00 C ATOM 0 H ILE A 102 11.702 6.316 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 102 11.572 4.844 1.327 1.00 0.00 H new ATOM 0 HB ILE A 102 13.164 3.382 0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.330 4.738 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.856 5.080 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.208 2.493 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.653 3.042 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.415 4.077 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.139 3.379 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.488 2.684 -1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.938 2.337 -2.587 1.00 0.00 H new ATOM 1606 N SER A 103 13.414 6.109 2.426 1.00 0.00 N ATOM 1607 CA SER A 103 14.596 6.491 3.179 1.00 0.00 C ATOM 1608 C SER A 103 15.490 5.282 3.466 1.00 0.00 C ATOM 1609 O SER A 103 16.661 5.463 3.789 1.00 0.00 O ATOM 1610 CB SER A 103 14.176 7.182 4.477 1.00 0.00 C ATOM 1611 OG SER A 103 13.863 8.543 4.228 1.00 0.00 O ATOM 0 H SER A 103 12.548 6.127 2.964 1.00 0.00 H new ATOM 0 HA SER A 103 15.181 7.188 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.311 6.675 4.904 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.980 7.114 5.210 1.00 0.00 H new ATOM 0 HG SER A 103 13.594 8.975 5.065 1.00 0.00 H new ATOM 1617 N ASP A 104 14.996 4.055 3.326 1.00 0.00 N ATOM 1618 CA ASP A 104 15.722 2.871 3.754 1.00 0.00 C ATOM 1619 C ASP A 104 15.519 1.845 2.648 1.00 0.00 C ATOM 1620 O ASP A 104 14.641 0.983 2.739 1.00 0.00 O ATOM 1621 CB ASP A 104 15.242 2.406 5.144 1.00 0.00 C ATOM 1622 CG ASP A 104 15.229 3.529 6.190 1.00 0.00 C ATOM 1623 OD1 ASP A 104 16.303 4.039 6.578 1.00 0.00 O ATOM 1624 OD2 ASP A 104 14.123 3.922 6.631 1.00 0.00 O ATOM 0 H ASP A 104 14.084 3.858 2.914 1.00 0.00 H new ATOM 0 HA ASP A 104 16.788 3.053 3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.238 1.992 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 104 15.889 1.601 5.493 1.00 0.00 H new ATOM 1629 N GLU A 105 16.272 1.968 1.545 1.00 0.00 N ATOM 1630 CA GLU A 105 16.190 0.969 0.472 1.00 0.00 C ATOM 1631 C GLU A 105 16.692 -0.405 0.939 1.00 0.00 C ATOM 1632 O GLU A 105 16.399 -1.424 0.327 1.00 0.00 O ATOM 1633 CB GLU A 105 16.821 1.448 -0.852 1.00 0.00 C ATOM 1634 CG GLU A 105 18.122 0.760 -1.301 1.00 0.00 C ATOM 1635 CD GLU A 105 18.532 1.228 -2.699 1.00 0.00 C ATOM 1636 OE1 GLU A 105 18.911 2.408 -2.853 1.00 0.00 O ATOM 1637 OE2 GLU A 105 18.471 0.414 -3.650 1.00 0.00 O ATOM 0 H GLU A 105 16.929 2.730 1.375 1.00 0.00 H new ATOM 0 HA GLU A 105 15.134 0.841 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.082 1.322 -1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.017 2.517 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.919 0.981 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.985 -0.321 -1.301 1.00 0.00 H new ATOM 1644 N GLY A 106 17.401 -0.454 2.060 1.00 0.00 N ATOM 1645 CA GLY A 106 17.903 -1.678 2.642 1.00 0.00 C ATOM 1646 C GLY A 106 16.881 -2.429 3.488 1.00 0.00 C ATOM 1647 O GLY A 106 17.284 -3.416 4.103 1.00 0.00 O ATOM 0 H GLY A 106 17.645 0.379 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.249 -2.333 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.770 -1.445 3.260 1.00 0.00 H new ATOM 1651 N GLU A 107 15.620 -1.983 3.556 1.00 0.00 N ATOM 1652 CA GLU A 107 14.556 -2.701 4.255 1.00 0.00 C ATOM 1653 C GLU A 107 13.693 -3.545 3.308 1.00 0.00 C ATOM 1654 O GLU A 107 13.131 -4.542 3.750 1.00 0.00 O ATOM 1655 CB GLU A 107 13.631 -1.727 4.998 1.00 0.00 C ATOM 1656 CG GLU A 107 14.152 -1.194 6.334 1.00 0.00 C ATOM 1657 CD GLU A 107 12.991 -0.942 7.310 1.00 0.00 C ATOM 1658 OE1 GLU A 107 12.105 -0.085 7.076 1.00 0.00 O ATOM 1659 OE2 GLU A 107 12.903 -1.702 8.308 1.00 0.00 O ATOM 0 H GLU A 107 15.312 -1.111 3.125 1.00 0.00 H new ATOM 0 HA GLU A 107 15.059 -3.364 4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.430 -0.878 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.678 -2.226 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 107 14.850 -1.909 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.704 -0.268 6.171 1.00 0.00 H new ATOM 1666 N LEU A 108 13.526 -3.181 2.028 1.00 0.00 N ATOM 1667 CA LEU A 108 12.608 -3.884 1.128 1.00 0.00 C ATOM 1668 C LEU A 108 13.016 -5.330 0.910 1.00 0.00 C ATOM 1669 O LEU A 108 12.169 -6.200 0.750 1.00 0.00 O ATOM 1670 CB LEU A 108 12.417 -3.199 -0.228 1.00 0.00 C ATOM 1671 CG LEU A 108 13.388 -2.083 -0.621 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.462 -1.891 -2.133 1.00 0.00 C ATOM 1673 CD2 LEU A 108 12.986 -0.762 0.045 1.00 0.00 C ATOM 0 H LEU A 108 14.018 -2.400 1.594 1.00 0.00 H new ATOM 0 HA LEU A 108 11.649 -3.853 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 108 12.465 -3.968 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.409 -2.786 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 108 14.376 -2.384 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.163 -1.089 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.801 -2.815 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.475 -1.631 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.687 0.020 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.981 -0.485 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.003 -0.881 1.128 1.00 0.00 H new ATOM 1685 N GLU A 109 14.317 -5.569 0.901 1.00 0.00 N ATOM 1686 CA GLU A 109 14.920 -6.896 0.912 1.00 0.00 C ATOM 1687 C GLU A 109 14.455 -7.748 2.101 1.00 0.00 C ATOM 1688 O GLU A 109 14.375 -8.969 1.963 1.00 0.00 O ATOM 1689 CB GLU A 109 16.449 -6.748 0.897 1.00 0.00 C ATOM 1690 CG GLU A 109 17.012 -6.466 -0.502 1.00 0.00 C ATOM 1691 CD GLU A 109 16.693 -7.566 -1.509 1.00 0.00 C ATOM 1692 OE1 GLU A 109 17.091 -8.737 -1.320 1.00 0.00 O ATOM 1693 OE2 GLU A 109 16.033 -7.269 -2.527 1.00 0.00 O ATOM 0 H GLU A 109 15.009 -4.819 0.885 1.00 0.00 H new ATOM 0 HA GLU A 109 14.592 -7.428 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.736 -5.938 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.900 -7.660 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.609 -5.521 -0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.093 -6.346 -0.434 1.00 0.00 H new ATOM 1700 N ASP A 110 14.110 -7.128 3.231 1.00 0.00 N ATOM 1701 CA ASP A 110 13.702 -7.825 4.447 1.00 0.00 C ATOM 1702 C ASP A 110 12.212 -8.164 4.421 1.00 0.00 C ATOM 1703 O ASP A 110 11.749 -8.983 5.220 1.00 0.00 O ATOM 1704 CB ASP A 110 13.973 -6.999 5.721 1.00 0.00 C ATOM 1705 CG ASP A 110 15.379 -6.432 5.863 1.00 0.00 C ATOM 1706 OD1 ASP A 110 16.333 -7.026 5.319 1.00 0.00 O ATOM 1707 OD2 ASP A 110 15.523 -5.392 6.547 1.00 0.00 O ATOM 0 H ASP A 110 14.107 -6.112 3.326 1.00 0.00 H new ATOM 0 HA ASP A 110 14.300 -8.736 4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.264 -6.171 5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.767 -7.627 6.588 1.00 0.00 H new ATOM 1712 N LEU A 111 11.429 -7.524 3.550 1.00 0.00 N ATOM 1713 CA LEU A 111 10.007 -7.800 3.354 1.00 0.00 C ATOM 1714 C LEU A 111 9.841 -9.077 2.537 1.00 0.00 C ATOM 1715 O LEU A 111 10.798 -9.806 2.283 1.00 0.00 O ATOM 1716 CB LEU A 111 9.310 -6.623 2.667 1.00 0.00 C ATOM 1717 CG LEU A 111 9.574 -5.206 3.185 1.00 0.00 C ATOM 1718 CD1 LEU A 111 8.784 -4.263 2.271 1.00 0.00 C ATOM 1719 CD2 LEU A 111 9.175 -5.001 4.650 1.00 0.00 C ATOM 0 H LEU A 111 11.777 -6.780 2.946 1.00 0.00 H new ATOM 0 HA LEU A 111 9.539 -7.938 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.585 -6.646 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.236 -6.799 2.720 1.00 0.00 H new ATOM 0 HG LEU A 111 10.645 -5.007 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.935 -3.233 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.131 -4.376 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.723 -4.509 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.391 -3.974 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.109 -5.196 4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.741 -5.687 5.281 1.00 0.00 H new ATOM 1731 N LEU A 112 8.598 -9.385 2.177 1.00 0.00 N ATOM 1732 CA LEU A 112 8.261 -10.604 1.469 1.00 0.00 C ATOM 1733 C LEU A 112 8.591 -10.421 -0.001 1.00 0.00 C ATOM 1734 O LEU A 112 8.113 -9.467 -0.631 1.00 0.00 O ATOM 1735 CB LEU A 112 6.768 -10.898 1.622 1.00 0.00 C ATOM 1736 CG LEU A 112 6.377 -11.212 3.076 1.00 0.00 C ATOM 1737 CD1 LEU A 112 4.938 -10.797 3.331 1.00 0.00 C ATOM 1738 CD2 LEU A 112 6.593 -12.686 3.402 1.00 0.00 C ATOM 0 H LEU A 112 7.795 -8.788 2.372 1.00 0.00 H new ATOM 0 HA LEU A 112 8.831 -11.437 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.194 -10.040 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.500 -11.742 0.986 1.00 0.00 H new ATOM 0 HG LEU A 112 7.025 -10.637 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.671 -11.024 4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.831 -9.727 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.277 -11.343 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.307 -12.875 4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.982 -13.299 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.644 -12.939 3.264 1.00 0.00 H new ATOM 1750 N ASP A 113 9.352 -11.367 -0.553 1.00 0.00 N ATOM 1751 CA ASP A 113 9.446 -11.593 -1.993 1.00 0.00 C ATOM 1752 C ASP A 113 8.053 -11.813 -2.578 1.00 0.00 C ATOM 1753 O ASP A 113 7.082 -12.035 -1.872 1.00 0.00 O ATOM 1754 CB ASP A 113 10.306 -12.819 -2.319 1.00 0.00 C ATOM 1755 CG ASP A 113 11.795 -12.516 -2.353 1.00 0.00 C ATOM 1756 OD1 ASP A 113 12.165 -11.713 -3.237 1.00 0.00 O ATOM 1757 OD2 ASP A 113 12.549 -13.151 -1.587 1.00 0.00 O ATOM 0 H ASP A 113 9.927 -12.005 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 113 9.911 -10.709 -2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.117 -13.595 -1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.002 -13.221 -3.285 1.00 0.00 H new ATOM 1762 N GLU A 114 7.959 -11.826 -3.896 1.00 0.00 N ATOM 1763 CA GLU A 114 6.720 -11.940 -4.662 1.00 0.00 C ATOM 1764 C GLU A 114 6.107 -13.334 -4.509 1.00 0.00 C ATOM 1765 O GLU A 114 4.897 -13.478 -4.311 1.00 0.00 O ATOM 1766 CB GLU A 114 7.037 -11.603 -6.127 1.00 0.00 C ATOM 1767 CG GLU A 114 5.789 -11.697 -7.018 1.00 0.00 C ATOM 1768 CD GLU A 114 5.990 -11.164 -8.441 1.00 0.00 C ATOM 1769 OE1 GLU A 114 7.135 -10.857 -8.837 1.00 0.00 O ATOM 1770 OE2 GLU A 114 4.974 -11.001 -9.157 1.00 0.00 O ATOM 0 H GLU A 114 8.782 -11.754 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 114 5.974 -11.240 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.451 -10.597 -6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.801 -12.285 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.474 -12.739 -7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.977 -11.143 -6.546 1.00 0.00 H new ATOM 1777 N GLN A 115 6.954 -14.361 -4.574 1.00 0.00 N ATOM 1778 CA GLN A 115 6.635 -15.728 -4.257 1.00 0.00 C ATOM 1779 C GLN A 115 6.305 -15.833 -2.763 1.00 0.00 C ATOM 1780 O GLN A 115 5.286 -16.404 -2.385 1.00 0.00 O ATOM 1781 CB GLN A 115 7.880 -16.538 -4.651 1.00 0.00 C ATOM 1782 CG GLN A 115 7.830 -17.979 -4.156 1.00 0.00 C ATOM 1783 CD GLN A 115 9.080 -18.781 -4.516 1.00 0.00 C ATOM 1784 OE1 GLN A 115 9.904 -18.377 -5.334 1.00 0.00 O ATOM 1785 NE2 GLN A 115 9.271 -19.939 -3.896 1.00 0.00 N ATOM 0 H GLN A 115 7.925 -14.243 -4.864 1.00 0.00 H new ATOM 0 HA GLN A 115 5.762 -16.107 -4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 115 7.981 -16.535 -5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.767 -16.051 -4.247 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.704 -17.981 -3.073 1.00 0.00 H new ATOM 0 HG3 GLN A 115 6.955 -18.472 -4.579 1.00 0.00 H new ATOM 0 HE21 GLN A 115 8.587 -20.273 -3.217 1.00 0.00 H new ATOM 0 HE22 GLN A 115 10.102 -20.495 -4.098 1.00 0.00 H new ATOM 1794 N ALA A 116 7.178 -15.307 -1.894 1.00 0.00 N ATOM 1795 CA ALA A 116 7.020 -15.480 -0.453 1.00 0.00 C ATOM 1796 C ALA A 116 5.774 -14.766 0.072 1.00 0.00 C ATOM 1797 O ALA A 116 5.170 -15.212 1.044 1.00 0.00 O ATOM 1798 CB ALA A 116 8.278 -15.005 0.278 1.00 0.00 C ATOM 0 H ALA A 116 7.996 -14.761 -2.167 1.00 0.00 H new ATOM 0 HA ALA A 116 6.883 -16.543 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.147 -15.139 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.136 -15.587 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.448 -13.950 0.062 1.00 0.00 H new ATOM 1804 N TYR A 117 5.371 -13.675 -0.564 1.00 0.00 N ATOM 1805 CA TYR A 117 4.144 -12.965 -0.259 1.00 0.00 C ATOM 1806 C TYR A 117 2.932 -13.857 -0.525 1.00 0.00 C ATOM 1807 O TYR A 117 2.032 -13.931 0.316 1.00 0.00 O ATOM 1808 CB TYR A 117 4.124 -11.692 -1.101 1.00 0.00 C ATOM 1809 CG TYR A 117 2.743 -11.167 -1.390 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.898 -10.754 -0.344 1.00 0.00 C ATOM 1811 CD2 TYR A 117 2.257 -11.268 -2.704 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.535 -10.544 -0.605 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.898 -11.075 -2.966 1.00 0.00 C ATOM 1814 CZ TYR A 117 0.018 -10.769 -1.903 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.333 -10.805 -2.084 1.00 0.00 O ATOM 0 H TYR A 117 5.903 -13.252 -1.324 1.00 0.00 H new ATOM 0 HA TYR A 117 4.099 -12.695 0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.694 -10.919 -0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.632 -11.886 -2.046 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.294 -10.600 0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.935 -11.495 -3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.120 -10.210 0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.522 -11.159 -3.975 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.733 -11.425 -1.439 1.00 0.00 H new ATOM 1825 N GLN A 118 2.939 -14.567 -1.657 1.00 0.00 N ATOM 1826 CA GLN A 118 1.939 -15.577 -1.964 1.00 0.00 C ATOM 1827 C GLN A 118 1.880 -16.592 -0.824 1.00 0.00 C ATOM 1828 O GLN A 118 0.792 -16.968 -0.414 1.00 0.00 O ATOM 1829 CB GLN A 118 2.230 -16.221 -3.337 1.00 0.00 C ATOM 1830 CG GLN A 118 2.427 -17.749 -3.327 1.00 0.00 C ATOM 1831 CD GLN A 118 2.514 -18.328 -4.726 1.00 0.00 C ATOM 1832 OE1 GLN A 118 3.168 -17.777 -5.604 1.00 0.00 O ATOM 1833 NE2 GLN A 118 1.776 -19.393 -4.983 1.00 0.00 N ATOM 0 H GLN A 118 3.644 -14.452 -2.385 1.00 0.00 H new ATOM 0 HA GLN A 118 0.952 -15.121 -2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.407 -15.983 -4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.126 -15.760 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.337 -17.992 -2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.599 -18.216 -2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.240 -19.835 -4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.742 -19.774 -5.929 1.00 0.00 H new ATOM 1842 N GLU A 119 3.033 -17.026 -0.308 1.00 0.00 N ATOM 1843 CA GLU A 119 3.093 -18.024 0.748 1.00 0.00 C ATOM 1844 C GLU A 119 2.310 -17.537 1.971 1.00 0.00 C ATOM 1845 O GLU A 119 1.491 -18.261 2.525 1.00 0.00 O ATOM 1846 CB GLU A 119 4.563 -18.319 1.098 1.00 0.00 C ATOM 1847 CG GLU A 119 4.825 -19.759 1.544 1.00 0.00 C ATOM 1848 CD GLU A 119 3.812 -20.293 2.559 1.00 0.00 C ATOM 1849 OE1 GLU A 119 3.962 -20.039 3.781 1.00 0.00 O ATOM 1850 OE2 GLU A 119 2.875 -20.984 2.101 1.00 0.00 O ATOM 0 H GLU A 119 3.947 -16.692 -0.614 1.00 0.00 H new ATOM 0 HA GLU A 119 2.634 -18.952 0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.183 -18.102 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.879 -17.642 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.820 -20.406 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.823 -19.818 1.978 1.00 0.00 H new ATOM 1857 N PHE A 120 2.503 -16.278 2.370 1.00 0.00 N ATOM 1858 CA PHE A 120 1.761 -15.744 3.501 1.00 0.00 C ATOM 1859 C PHE A 120 0.260 -15.643 3.191 1.00 0.00 C ATOM 1860 O PHE A 120 -0.570 -15.882 4.069 1.00 0.00 O ATOM 1861 CB PHE A 120 2.348 -14.396 3.916 1.00 0.00 C ATOM 1862 CG PHE A 120 1.779 -13.912 5.229 1.00 0.00 C ATOM 1863 CD1 PHE A 120 1.951 -14.680 6.398 1.00 0.00 C ATOM 1864 CD2 PHE A 120 1.044 -12.716 5.281 1.00 0.00 C ATOM 1865 CE1 PHE A 120 1.408 -14.240 7.617 1.00 0.00 C ATOM 1866 CE2 PHE A 120 0.454 -12.312 6.485 1.00 0.00 C ATOM 1867 CZ PHE A 120 0.680 -13.041 7.660 1.00 0.00 C ATOM 0 H PHE A 120 3.154 -15.625 1.934 1.00 0.00 H new ATOM 0 HA PHE A 120 1.859 -16.433 4.340 1.00 0.00 H new ATOM 0 HB2 PHE A 120 3.431 -14.483 4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 120 2.147 -13.658 3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.501 -15.608 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 120 0.934 -12.109 4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.550 -14.821 8.516 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -0.177 -11.436 6.508 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.293 -12.679 8.601 1.00 0.00 H new ATOM 1877 N CYS A 121 -0.117 -15.338 1.945 1.00 0.00 N ATOM 1878 CA CYS A 121 -1.511 -15.383 1.501 1.00 0.00 C ATOM 1879 C CYS A 121 -2.073 -16.806 1.408 1.00 0.00 C ATOM 1880 O CYS A 121 -3.288 -16.953 1.283 1.00 0.00 O ATOM 1881 CB CYS A 121 -1.659 -14.692 0.144 1.00 0.00 C ATOM 1882 SG CYS A 121 -1.325 -12.929 0.358 1.00 0.00 S ATOM 0 H CYS A 121 0.538 -15.053 1.217 1.00 0.00 H new ATOM 0 HA CYS A 121 -2.088 -14.857 2.261 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -0.966 -15.124 -0.578 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -2.664 -14.842 -0.250 1.00 0.00 H new ATOM 0 HG CYS A 121 -0.475 -12.536 -0.544 1.00 0.00 H new ATOM 1888 N ALA A 122 -1.234 -17.839 1.473 1.00 0.00 N ATOM 1889 CA ALA A 122 -1.604 -19.246 1.505 1.00 0.00 C ATOM 1890 C ALA A 122 -1.559 -19.797 2.932 1.00 0.00 C ATOM 1891 O ALA A 122 -1.658 -21.011 3.115 1.00 0.00 O ATOM 1892 CB ALA A 122 -0.661 -20.048 0.611 1.00 0.00 C ATOM 0 H ALA A 122 -0.223 -17.705 1.506 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.626 -19.339 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -0.942 -21.101 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.730 -19.680 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 122 0.363 -19.936 0.969 1.00 0.00 H new ATOM 1898 N GLN A 123 -1.400 -18.934 3.939 1.00 0.00 N ATOM 1899 CA GLN A 123 -1.751 -19.247 5.313 1.00 0.00 C ATOM 1900 C GLN A 123 -3.064 -18.540 5.702 1.00 0.00 C ATOM 1901 O GLN A 123 -3.317 -18.309 6.883 1.00 0.00 O ATOM 1902 CB GLN A 123 -0.602 -18.875 6.266 1.00 0.00 C ATOM 1903 CG GLN A 123 0.621 -19.791 6.134 1.00 0.00 C ATOM 1904 CD GLN A 123 1.530 -19.704 7.362 1.00 0.00 C ATOM 1905 OE1 GLN A 123 1.634 -18.670 8.032 1.00 0.00 O ATOM 1906 NE2 GLN A 123 2.218 -20.775 7.717 1.00 0.00 N ATOM 0 H GLN A 123 -1.021 -17.995 3.816 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.911 -20.322 5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -0.298 -17.846 6.073 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -0.965 -18.912 7.293 1.00 0.00 H new ATOM 0 HG2 GLN A 123 0.291 -20.821 5.998 1.00 0.00 H new ATOM 0 HG3 GLN A 123 1.186 -19.517 5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 123 2.141 -21.634 7.173 1.00 0.00 H new ATOM 0 HE22 GLN A 123 2.826 -20.742 8.535 1.00 0.00 H new ATOM 1915 N GLU A 124 -3.881 -18.128 4.728 1.00 0.00 N ATOM 1916 CA GLU A 124 -5.176 -17.501 4.943 1.00 0.00 C ATOM 1917 C GLU A 124 -6.149 -18.140 3.976 1.00 0.00 C ATOM 1918 O GLU A 124 -7.247 -18.515 4.421 1.00 0.00 O ATOM 1919 CB GLU A 124 -5.070 -15.986 4.719 1.00 0.00 C ATOM 1920 CG GLU A 124 -4.744 -15.186 5.988 1.00 0.00 C ATOM 1921 CD GLU A 124 -6.000 -14.743 6.752 1.00 0.00 C ATOM 1922 OE1 GLU A 124 -6.696 -13.829 6.254 1.00 0.00 O ATOM 1923 OE2 GLU A 124 -6.244 -15.149 7.909 1.00 0.00 O ATOM 0 H GLU A 124 -3.647 -18.227 3.740 1.00 0.00 H new ATOM 0 HA GLU A 124 -5.523 -17.648 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -4.299 -15.793 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -6.011 -15.624 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -4.120 -15.793 6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.160 -14.306 5.717 1.00 0.00 H new TER 1930 GLU A 124