USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 601 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 41 CYS SG : rot 50:sc= -6.31! USER MOD Set 1.2: A 51 THR OG1 : rot 81:sc= 0.905 USER MOD Set 2.1: A 28 SER OG : rot 180:sc= -0.0474 USER MOD Set 2.2: A 30 HIS : no HD1:sc= -0.0425 X(o=-0.09,f=0.0048) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -145:sc= 0.578 (180deg=0) USER MOD Set 3.2: A 21 GLN : amide:sc= -0.389 K(o=0.19,f=-2.1) USER MOD Single : A 10 THR OG1 : rot -41:sc= 0.778 USER MOD Single : A 16 ASN : amide:sc= -0.59 K(o=-0.59,f=-2.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= 0.0307 (180deg=-0.0124) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0615 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 34 GLN : amide:sc= -0.0149 K(o=-0.015,f=-1.4) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= -0.1 (180deg=-0.592) USER MOD Single : A 44 CYS SG : rot -130:sc= -3.6! USER MOD Single : A 50 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.34) USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.302) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.415 K(o=-0.41,f=-2.8!) USER MOD Single : A 59 SER OG : rot -170:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0815 K(o=-0.082,f=-0.67) USER MOD Single : A 78 TYR OH : rot 180:sc= -3.14! USER MOD Single : A 80 MET CE :methyl -152:sc= -1.04 (180deg=-2.43) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 10 0.328 -14.751 -4.680 1.00 0.00 N ATOM 104 CA THR A 10 0.517 -13.313 -4.593 1.00 0.00 C ATOM 105 C THR A 10 0.395 -12.675 -5.978 1.00 0.00 C ATOM 106 O THR A 10 0.673 -13.318 -6.989 1.00 0.00 O ATOM 107 CB THR A 10 1.868 -13.054 -3.922 1.00 0.00 C ATOM 108 OG1 THR A 10 2.718 -14.070 -4.448 1.00 0.00 O ATOM 109 CG2 THR A 10 1.837 -13.334 -2.418 1.00 0.00 C ATOM 0 HA THR A 10 -0.259 -12.848 -3.985 1.00 0.00 H new ATOM 0 HB THR A 10 2.166 -12.019 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.229 -14.918 -4.486 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.820 -13.135 -1.990 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.097 -12.690 -1.943 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.572 -14.377 -2.248 1.00 0.00 H new ATOM 117 N VAL A 11 -0.022 -11.417 -5.980 1.00 0.00 N ATOM 118 CA VAL A 11 -0.185 -10.684 -7.224 1.00 0.00 C ATOM 119 C VAL A 11 0.826 -9.537 -7.272 1.00 0.00 C ATOM 120 O VAL A 11 1.321 -9.097 -6.235 1.00 0.00 O ATOM 121 CB VAL A 11 -1.633 -10.211 -7.367 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.595 -11.399 -7.427 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.012 -9.255 -6.234 1.00 0.00 C ATOM 0 H VAL A 11 -0.252 -10.887 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 11 0.017 -11.331 -8.077 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.716 -9.666 -8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.617 -11.035 -7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.346 -12.026 -8.283 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.508 -11.984 -6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.046 -8.934 -6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.904 -9.765 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.356 -8.385 -6.258 1.00 0.00 H new ATOM 133 N ARG A 12 1.104 -9.086 -8.486 1.00 0.00 N ATOM 134 CA ARG A 12 2.048 -7.999 -8.683 1.00 0.00 C ATOM 135 C ARG A 12 1.330 -6.651 -8.594 1.00 0.00 C ATOM 136 O ARG A 12 0.458 -6.353 -9.410 1.00 0.00 O ATOM 137 CB ARG A 12 2.743 -8.111 -10.041 1.00 0.00 C ATOM 138 CG ARG A 12 1.760 -7.846 -11.183 1.00 0.00 C ATOM 139 CD ARG A 12 2.308 -8.370 -12.512 1.00 0.00 C ATOM 140 NE ARG A 12 2.292 -9.850 -12.517 1.00 0.00 N ATOM 141 CZ ARG A 12 2.908 -10.605 -13.437 1.00 0.00 C ATOM 142 NH1 ARG A 12 3.593 -10.023 -14.432 1.00 0.00 N ATOM 143 NH2 ARG A 12 2.840 -11.941 -13.363 1.00 0.00 N ATOM 0 H ARG A 12 0.692 -9.454 -9.344 1.00 0.00 H new ATOM 0 HA ARG A 12 2.800 -8.067 -7.897 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.566 -7.398 -10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.175 -9.106 -10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.806 -8.326 -10.965 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.568 -6.776 -11.261 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.708 -7.989 -13.338 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.325 -8.008 -12.663 1.00 0.00 H new ATOM 0 HE ARG A 12 1.780 -10.325 -11.774 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.645 -9.006 -14.488 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.062 -10.597 -15.132 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.319 -12.384 -12.606 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.309 -12.515 -14.064 1.00 0.00 H new ATOM 157 N VAL A 13 1.723 -5.871 -7.598 1.00 0.00 N ATOM 158 CA VAL A 13 1.128 -4.561 -7.393 1.00 0.00 C ATOM 159 C VAL A 13 2.164 -3.480 -7.709 1.00 0.00 C ATOM 160 O VAL A 13 3.354 -3.662 -7.457 1.00 0.00 O ATOM 161 CB VAL A 13 0.571 -4.457 -5.972 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.217 -3.009 -5.627 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.639 -5.375 -5.789 1.00 0.00 C ATOM 0 H VAL A 13 2.446 -6.121 -6.924 1.00 0.00 H new ATOM 0 HA VAL A 13 0.287 -4.413 -8.070 1.00 0.00 H new ATOM 0 HB VAL A 13 1.349 -4.786 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.177 -2.963 -4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.111 -2.389 -5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.536 -2.642 -6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.016 -5.282 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.421 -5.090 -6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.343 -6.408 -5.974 1.00 0.00 H new ATOM 173 N VAL A 14 1.673 -2.379 -8.258 1.00 0.00 N ATOM 174 CA VAL A 14 2.541 -1.268 -8.612 1.00 0.00 C ATOM 175 C VAL A 14 2.642 -0.307 -7.425 1.00 0.00 C ATOM 176 O VAL A 14 1.662 0.341 -7.062 1.00 0.00 O ATOM 177 CB VAL A 14 2.032 -0.592 -9.887 1.00 0.00 C ATOM 178 CG1 VAL A 14 2.761 0.730 -10.134 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.164 -1.525 -11.092 1.00 0.00 C ATOM 0 H VAL A 14 0.685 -2.232 -8.467 1.00 0.00 H new ATOM 0 HA VAL A 14 3.548 -1.624 -8.829 1.00 0.00 H new ATOM 0 HB VAL A 14 0.974 -0.370 -9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.381 1.190 -11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.593 1.401 -9.292 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.829 0.542 -10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.795 -1.020 -11.985 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.211 -1.792 -11.232 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.579 -2.428 -10.918 1.00 0.00 H new ATOM 189 N ILE A 15 3.836 -0.247 -6.854 1.00 0.00 N ATOM 190 CA ILE A 15 4.078 0.624 -5.716 1.00 0.00 C ATOM 191 C ILE A 15 4.775 1.899 -6.195 1.00 0.00 C ATOM 192 O ILE A 15 5.995 1.923 -6.350 1.00 0.00 O ATOM 193 CB ILE A 15 4.844 -0.123 -4.623 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.112 -1.404 -4.217 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.116 0.787 -3.424 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.931 -1.091 -3.297 1.00 0.00 C ATOM 0 H ILE A 15 4.646 -0.787 -7.158 1.00 0.00 H new ATOM 0 HA ILE A 15 3.135 0.928 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 15 5.812 -0.420 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.757 -1.922 -5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.804 -2.078 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.662 0.231 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.710 1.643 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.170 1.137 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.428 -2.018 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.293 -0.595 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.230 -0.437 -3.815 1.00 0.00 H new ATOM 208 N ASN A 16 3.970 2.929 -6.414 1.00 0.00 N ATOM 209 CA ASN A 16 4.494 4.204 -6.872 1.00 0.00 C ATOM 210 C ASN A 16 4.879 5.056 -5.660 1.00 0.00 C ATOM 211 O ASN A 16 4.044 5.332 -4.800 1.00 0.00 O ATOM 212 CB ASN A 16 3.445 4.974 -7.677 1.00 0.00 C ATOM 213 CG ASN A 16 2.870 4.107 -8.799 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.469 3.924 -9.846 1.00 0.00 O ATOM 215 ND2 ASN A 16 1.679 3.584 -8.522 1.00 0.00 N ATOM 0 H ASN A 16 2.959 2.906 -6.283 1.00 0.00 H new ATOM 0 HA ASN A 16 5.359 4.006 -7.505 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.642 5.300 -7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.894 5.873 -8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.212 2.989 -9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.233 3.778 -7.625 1.00 0.00 H new ATOM 222 N PHE A 17 6.144 5.450 -5.632 1.00 0.00 N ATOM 223 CA PHE A 17 6.650 6.265 -4.540 1.00 0.00 C ATOM 224 C PHE A 17 7.691 7.268 -5.042 1.00 0.00 C ATOM 225 O PHE A 17 8.104 7.213 -6.199 1.00 0.00 O ATOM 226 CB PHE A 17 7.314 5.314 -3.543 1.00 0.00 C ATOM 227 CG PHE A 17 8.670 4.777 -4.003 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.800 5.501 -3.778 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.747 3.576 -4.637 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.059 5.002 -4.206 1.00 0.00 C ATOM 231 CE2 PHE A 17 10.006 3.078 -5.064 1.00 0.00 C ATOM 232 CZ PHE A 17 11.135 3.801 -4.840 1.00 0.00 C ATOM 0 H PHE A 17 6.833 5.220 -6.348 1.00 0.00 H new ATOM 0 HA PHE A 17 5.834 6.826 -4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.444 5.833 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.646 4.473 -3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.740 6.454 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.850 3.001 -4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 17 11.956 5.576 -4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.067 2.124 -5.567 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.092 3.422 -5.165 1.00 0.00 H new ATOM 242 N LYS A 18 8.086 8.160 -4.146 1.00 0.00 N ATOM 243 CA LYS A 18 9.071 9.173 -4.482 1.00 0.00 C ATOM 244 C LYS A 18 8.437 10.202 -5.421 1.00 0.00 C ATOM 245 O LYS A 18 9.123 11.084 -5.935 1.00 0.00 O ATOM 246 CB LYS A 18 10.336 8.524 -5.046 1.00 0.00 C ATOM 247 CG LYS A 18 11.473 8.559 -4.022 1.00 0.00 C ATOM 248 CD LYS A 18 12.818 8.257 -4.686 1.00 0.00 C ATOM 249 CE LYS A 18 13.749 7.514 -3.725 1.00 0.00 C ATOM 250 NZ LYS A 18 14.528 6.486 -4.450 1.00 0.00 N ATOM 0 H LYS A 18 7.741 8.202 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 18 9.387 9.709 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.126 7.492 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.643 9.044 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.510 9.540 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.280 7.831 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.659 7.656 -5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.287 9.188 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.426 8.221 -3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.165 7.045 -2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.670 5.660 -3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.010 6.197 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.452 6.878 -4.721 1.00 0.00 H new ATOM 264 N LYS A 19 7.135 10.055 -5.616 1.00 0.00 N ATOM 265 CA LYS A 19 6.401 10.961 -6.484 1.00 0.00 C ATOM 266 C LYS A 19 6.994 10.902 -7.893 1.00 0.00 C ATOM 267 O LYS A 19 7.123 11.928 -8.560 1.00 0.00 O ATOM 268 CB LYS A 19 6.373 12.369 -5.887 1.00 0.00 C ATOM 269 CG LYS A 19 5.147 12.561 -4.992 1.00 0.00 C ATOM 270 CD LYS A 19 4.683 14.019 -5.002 1.00 0.00 C ATOM 271 CE LYS A 19 3.157 14.109 -4.945 1.00 0.00 C ATOM 272 NZ LYS A 19 2.715 15.512 -5.113 1.00 0.00 N ATOM 0 H LYS A 19 6.569 9.322 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 19 5.359 10.653 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.281 12.541 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.362 13.108 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.338 11.916 -5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.386 12.259 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.114 14.547 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.047 14.514 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.720 13.488 -5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.799 13.720 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.677 15.556 -5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.117 16.096 -4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.041 15.871 -6.033 1.00 0.00 H new ATOM 286 N THR A 20 7.339 9.691 -8.306 1.00 0.00 N ATOM 287 CA THR A 20 7.915 9.485 -9.624 1.00 0.00 C ATOM 288 C THR A 20 8.375 8.034 -9.784 1.00 0.00 C ATOM 289 O THR A 20 8.090 7.397 -10.797 1.00 0.00 O ATOM 290 CB THR A 20 9.040 10.504 -9.812 1.00 0.00 C ATOM 291 OG1 THR A 20 9.983 9.830 -10.641 1.00 0.00 O ATOM 292 CG2 THR A 20 9.809 10.774 -8.517 1.00 0.00 C ATOM 0 H THR A 20 7.231 8.842 -7.751 1.00 0.00 H new ATOM 0 HA THR A 20 7.176 9.647 -10.409 1.00 0.00 H new ATOM 0 HB THR A 20 8.624 11.439 -10.188 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.746 10.420 -10.815 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.596 11.504 -8.707 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.126 11.164 -7.763 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.254 9.846 -8.158 1.00 0.00 H new ATOM 300 N GLN A 21 9.079 7.555 -8.769 1.00 0.00 N ATOM 301 CA GLN A 21 9.581 6.192 -8.784 1.00 0.00 C ATOM 302 C GLN A 21 8.452 5.206 -8.477 1.00 0.00 C ATOM 303 O GLN A 21 7.471 5.564 -7.826 1.00 0.00 O ATOM 304 CB GLN A 21 10.740 6.023 -7.799 1.00 0.00 C ATOM 305 CG GLN A 21 11.845 7.046 -8.072 1.00 0.00 C ATOM 306 CD GLN A 21 13.223 6.458 -7.763 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.366 5.498 -7.025 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.227 7.087 -8.369 1.00 0.00 N ATOM 0 H GLN A 21 9.314 8.087 -7.931 1.00 0.00 H new ATOM 0 HA GLN A 21 9.962 5.978 -9.782 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.375 6.140 -6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.145 5.014 -7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.805 7.360 -9.115 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.680 7.936 -7.464 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.037 7.885 -8.975 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.186 6.771 -8.228 1.00 0.00 H new ATOM 317 N LYS A 22 8.628 3.985 -8.959 1.00 0.00 N ATOM 318 CA LYS A 22 7.636 2.946 -8.744 1.00 0.00 C ATOM 319 C LYS A 22 8.327 1.581 -8.732 1.00 0.00 C ATOM 320 O LYS A 22 9.353 1.395 -9.386 1.00 0.00 O ATOM 321 CB LYS A 22 6.511 3.056 -9.776 1.00 0.00 C ATOM 322 CG LYS A 22 7.069 3.021 -11.200 1.00 0.00 C ATOM 323 CD LYS A 22 6.338 1.978 -12.049 1.00 0.00 C ATOM 324 CE LYS A 22 7.307 1.265 -12.995 1.00 0.00 C ATOM 325 NZ LYS A 22 8.136 0.291 -12.250 1.00 0.00 N ATOM 0 H LYS A 22 9.443 3.692 -9.498 1.00 0.00 H new ATOM 0 HA LYS A 22 7.159 3.071 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.805 2.237 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.959 3.983 -9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.968 4.005 -11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.134 2.791 -11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.855 1.248 -11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.550 2.461 -12.626 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.749 0.752 -13.778 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.948 1.996 -13.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.981 0.056 -12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.425 0.705 -11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.584 -0.573 -12.077 1.00 0.00 H new ATOM 339 N THR A 23 7.738 0.661 -7.983 1.00 0.00 N ATOM 340 CA THR A 23 8.285 -0.681 -7.877 1.00 0.00 C ATOM 341 C THR A 23 7.159 -1.717 -7.870 1.00 0.00 C ATOM 342 O THR A 23 6.009 -1.386 -7.588 1.00 0.00 O ATOM 343 CB THR A 23 9.169 -0.735 -6.629 1.00 0.00 C ATOM 344 OG1 THR A 23 9.785 -2.018 -6.695 1.00 0.00 O ATOM 345 CG2 THR A 23 8.352 -0.780 -5.335 1.00 0.00 C ATOM 0 H THR A 23 6.887 0.818 -7.443 1.00 0.00 H new ATOM 0 HA THR A 23 8.903 -0.925 -8.741 1.00 0.00 H new ATOM 0 HB THR A 23 9.828 0.133 -6.613 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.378 -2.136 -5.924 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.027 -0.817 -4.480 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.729 0.112 -5.267 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.718 -1.666 -5.336 1.00 0.00 H new ATOM 353 N ILE A 24 7.530 -2.949 -8.183 1.00 0.00 N ATOM 354 CA ILE A 24 6.566 -4.036 -8.216 1.00 0.00 C ATOM 355 C ILE A 24 6.867 -5.014 -7.078 1.00 0.00 C ATOM 356 O ILE A 24 8.027 -5.312 -6.802 1.00 0.00 O ATOM 357 CB ILE A 24 6.543 -4.690 -9.599 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.009 -3.720 -10.655 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.753 -6.000 -9.573 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.515 -3.459 -10.455 1.00 0.00 C ATOM 0 H ILE A 24 8.485 -3.219 -8.416 1.00 0.00 H new ATOM 0 HA ILE A 24 5.558 -3.656 -8.052 1.00 0.00 H new ATOM 0 HB ILE A 24 7.568 -4.937 -9.877 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.557 -2.779 -10.600 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.180 -4.130 -11.650 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.752 -6.444 -10.568 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.216 -6.690 -8.868 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.727 -5.800 -9.264 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.161 -2.766 -11.219 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.968 -4.398 -10.535 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.350 -3.026 -9.468 1.00 0.00 H new ATOM 372 N VAL A 25 5.800 -5.486 -6.449 1.00 0.00 N ATOM 373 CA VAL A 25 5.935 -6.424 -5.348 1.00 0.00 C ATOM 374 C VAL A 25 4.841 -7.488 -5.453 1.00 0.00 C ATOM 375 O VAL A 25 3.777 -7.236 -6.017 1.00 0.00 O ATOM 376 CB VAL A 25 5.913 -5.673 -4.015 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.028 -4.626 -3.957 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.546 -5.032 -3.769 1.00 0.00 C ATOM 0 H VAL A 25 4.839 -5.236 -6.681 1.00 0.00 H new ATOM 0 HA VAL A 25 6.895 -6.938 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 25 6.091 -6.397 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.990 -4.107 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.995 -5.118 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.894 -3.907 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.558 -4.505 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.325 -4.327 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.780 -5.807 -3.746 1.00 0.00 H new ATOM 388 N ARG A 26 5.140 -8.655 -4.900 1.00 0.00 N ATOM 389 CA ARG A 26 4.194 -9.758 -4.925 1.00 0.00 C ATOM 390 C ARG A 26 3.663 -10.033 -3.516 1.00 0.00 C ATOM 391 O ARG A 26 4.393 -10.530 -2.660 1.00 0.00 O ATOM 392 CB ARG A 26 4.845 -11.029 -5.474 1.00 0.00 C ATOM 393 CG ARG A 26 4.169 -11.474 -6.772 1.00 0.00 C ATOM 394 CD ARG A 26 5.196 -12.022 -7.765 1.00 0.00 C ATOM 395 NE ARG A 26 4.521 -12.862 -8.780 1.00 0.00 N ATOM 396 CZ ARG A 26 4.141 -14.130 -8.572 1.00 0.00 C ATOM 397 NH1 ARG A 26 4.366 -14.712 -7.387 1.00 0.00 N ATOM 398 NH2 ARG A 26 3.534 -14.816 -9.551 1.00 0.00 N ATOM 0 H ARG A 26 6.023 -8.860 -4.433 1.00 0.00 H new ATOM 0 HA ARG A 26 3.370 -9.474 -5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.905 -10.850 -5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.778 -11.826 -4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.424 -12.239 -6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.640 -10.632 -7.218 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.719 -11.199 -8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.948 -12.609 -7.237 1.00 0.00 H new ATOM 0 HE ARG A 26 4.334 -12.450 -9.694 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.827 -14.190 -6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.076 -15.677 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.362 -14.373 -10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.244 -15.781 -9.394 1.00 0.00 H new ATOM 412 N VAL A 27 2.396 -9.697 -3.320 1.00 0.00 N ATOM 413 CA VAL A 27 1.759 -9.902 -2.031 1.00 0.00 C ATOM 414 C VAL A 27 0.362 -10.489 -2.244 1.00 0.00 C ATOM 415 O VAL A 27 -0.077 -10.658 -3.381 1.00 0.00 O ATOM 416 CB VAL A 27 1.742 -8.591 -1.242 1.00 0.00 C ATOM 417 CG1 VAL A 27 3.103 -8.323 -0.595 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.318 -7.421 -2.131 1.00 0.00 C ATOM 0 H VAL A 27 1.794 -9.284 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 27 2.325 -10.618 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 27 1.005 -8.690 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.064 -7.385 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.349 -9.138 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.867 -8.255 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.314 -6.502 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.019 -7.321 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.318 -7.606 -2.523 1.00 0.00 H new ATOM 428 N SER A 28 -0.297 -10.783 -1.133 1.00 0.00 N ATOM 429 CA SER A 28 -1.635 -11.348 -1.185 1.00 0.00 C ATOM 430 C SER A 28 -2.670 -10.230 -1.328 1.00 0.00 C ATOM 431 O SER A 28 -2.664 -9.271 -0.557 1.00 0.00 O ATOM 432 CB SER A 28 -1.928 -12.185 0.062 1.00 0.00 C ATOM 433 OG SER A 28 -2.900 -13.196 -0.190 1.00 0.00 O ATOM 0 H SER A 28 0.070 -10.641 -0.192 1.00 0.00 H new ATOM 0 HA SER A 28 -1.696 -12.004 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.006 -12.648 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.281 -11.533 0.861 1.00 0.00 H new ATOM 0 HG SER A 28 -3.058 -13.709 0.630 1.00 0.00 H new ATOM 439 N PRO A 29 -3.556 -10.394 -2.347 1.00 0.00 N ATOM 440 CA PRO A 29 -4.594 -9.410 -2.602 1.00 0.00 C ATOM 441 C PRO A 29 -5.714 -9.514 -1.565 1.00 0.00 C ATOM 442 O PRO A 29 -6.610 -8.671 -1.526 1.00 0.00 O ATOM 443 CB PRO A 29 -5.067 -9.694 -4.018 1.00 0.00 C ATOM 444 CG PRO A 29 -4.609 -11.109 -4.334 1.00 0.00 C ATOM 445 CD PRO A 29 -3.592 -11.516 -3.280 1.00 0.00 C ATOM 0 HA PRO A 29 -4.232 -8.385 -2.516 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.151 -9.609 -4.092 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.642 -8.979 -4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.457 -11.794 -4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.166 -11.154 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.888 -12.438 -2.779 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.612 -11.694 -3.723 1.00 0.00 H new ATOM 453 N HIS A 30 -5.628 -10.555 -0.750 1.00 0.00 N ATOM 454 CA HIS A 30 -6.623 -10.781 0.284 1.00 0.00 C ATOM 455 C HIS A 30 -6.333 -9.875 1.482 1.00 0.00 C ATOM 456 O HIS A 30 -7.136 -9.006 1.818 1.00 0.00 O ATOM 457 CB HIS A 30 -6.687 -12.262 0.663 1.00 0.00 C ATOM 458 CG HIS A 30 -6.813 -13.193 -0.520 1.00 0.00 C ATOM 459 ND1 HIS A 30 -7.966 -13.290 -1.279 1.00 0.00 N ATOM 460 CD2 HIS A 30 -5.918 -14.066 -1.065 1.00 0.00 C ATOM 461 CE1 HIS A 30 -7.763 -14.184 -2.235 1.00 0.00 C ATOM 462 NE2 HIS A 30 -6.494 -14.665 -2.100 1.00 0.00 N ATOM 0 H HIS A 30 -4.884 -11.252 -0.785 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.611 -10.520 -0.095 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.789 -12.522 1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.535 -12.420 1.329 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.912 -14.240 -0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.477 -14.480 -2.989 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.059 -15.369 -2.696 1.00 0.00 H new ATOM 470 N ALA A 31 -5.181 -10.108 2.095 1.00 0.00 N ATOM 471 CA ALA A 31 -4.775 -9.324 3.248 1.00 0.00 C ATOM 472 C ALA A 31 -5.080 -7.848 2.989 1.00 0.00 C ATOM 473 O ALA A 31 -5.020 -7.388 1.850 1.00 0.00 O ATOM 474 CB ALA A 31 -3.292 -9.571 3.537 1.00 0.00 C ATOM 0 H ALA A 31 -4.516 -10.829 1.814 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.335 -9.626 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.987 -8.983 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.133 -10.629 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.699 -9.277 2.671 1.00 0.00 H new ATOM 480 N SER A 32 -5.402 -7.145 4.066 1.00 0.00 N ATOM 481 CA SER A 32 -5.717 -5.730 3.969 1.00 0.00 C ATOM 482 C SER A 32 -4.427 -4.910 3.906 1.00 0.00 C ATOM 483 O SER A 32 -3.408 -5.304 4.470 1.00 0.00 O ATOM 484 CB SER A 32 -6.578 -5.276 5.150 1.00 0.00 C ATOM 485 OG SER A 32 -7.285 -6.361 5.744 1.00 0.00 O ATOM 0 H SER A 32 -5.451 -7.529 5.010 1.00 0.00 H new ATOM 0 HA SER A 32 -6.288 -5.568 3.055 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.944 -4.803 5.900 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.289 -4.522 4.812 1.00 0.00 H new ATOM 0 HG SER A 32 -7.821 -6.030 6.495 1.00 0.00 H new ATOM 491 N LEU A 33 -4.514 -3.783 3.214 1.00 0.00 N ATOM 492 CA LEU A 33 -3.366 -2.904 3.069 1.00 0.00 C ATOM 493 C LEU A 33 -2.750 -2.646 4.446 1.00 0.00 C ATOM 494 O LEU A 33 -1.545 -2.423 4.559 1.00 0.00 O ATOM 495 CB LEU A 33 -3.760 -1.627 2.323 1.00 0.00 C ATOM 496 CG LEU A 33 -4.235 -1.813 0.881 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.193 -0.693 0.471 1.00 0.00 C ATOM 498 CD2 LEU A 33 -3.048 -1.930 -0.077 1.00 0.00 C ATOM 0 H LEU A 33 -5.361 -3.459 2.748 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.597 -3.378 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.552 -1.131 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.903 -0.953 2.318 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.790 -2.750 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.516 -0.849 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.062 -0.699 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.685 0.268 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.414 -2.062 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.445 -1.023 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.438 -2.789 0.203 1.00 0.00 H new ATOM 510 N GLN A 34 -3.604 -2.686 5.458 1.00 0.00 N ATOM 511 CA GLN A 34 -3.159 -2.460 6.822 1.00 0.00 C ATOM 512 C GLN A 34 -2.050 -3.448 7.189 1.00 0.00 C ATOM 513 O GLN A 34 -1.141 -3.113 7.948 1.00 0.00 O ATOM 514 CB GLN A 34 -4.328 -2.558 7.804 1.00 0.00 C ATOM 515 CG GLN A 34 -3.830 -2.849 9.221 1.00 0.00 C ATOM 516 CD GLN A 34 -4.924 -2.570 10.254 1.00 0.00 C ATOM 517 OE1 GLN A 34 -6.003 -2.094 9.941 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.587 -2.893 11.500 1.00 0.00 N ATOM 0 H GLN A 34 -4.602 -2.872 5.360 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.755 -1.450 6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.893 -1.626 7.797 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.010 -3.346 7.485 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.514 -3.890 9.293 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.956 -2.235 9.437 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.667 -3.288 11.693 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.249 -2.746 12.262 1.00 0.00 H new ATOM 527 N GLU A 35 -2.161 -4.646 6.634 1.00 0.00 N ATOM 528 CA GLU A 35 -1.179 -5.685 6.894 1.00 0.00 C ATOM 529 C GLU A 35 -0.090 -5.666 5.819 1.00 0.00 C ATOM 530 O GLU A 35 1.030 -6.116 6.058 1.00 0.00 O ATOM 531 CB GLU A 35 -1.845 -7.060 6.976 1.00 0.00 C ATOM 532 CG GLU A 35 -1.881 -7.566 8.419 1.00 0.00 C ATOM 533 CD GLU A 35 -0.561 -8.243 8.796 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.356 -9.385 8.331 1.00 0.00 O ATOM 535 OE2 GLU A 35 0.212 -7.603 9.541 1.00 0.00 O ATOM 0 H GLU A 35 -2.916 -4.920 6.005 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.713 -5.485 7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.860 -7.001 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.302 -7.769 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.073 -6.733 9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.703 -8.271 8.540 1.00 0.00 H new ATOM 542 N LEU A 36 -0.456 -5.142 4.659 1.00 0.00 N ATOM 543 CA LEU A 36 0.476 -5.058 3.548 1.00 0.00 C ATOM 544 C LEU A 36 1.125 -3.673 3.535 1.00 0.00 C ATOM 545 O LEU A 36 1.801 -3.310 2.574 1.00 0.00 O ATOM 546 CB LEU A 36 -0.222 -5.423 2.236 1.00 0.00 C ATOM 547 CG LEU A 36 -0.759 -6.852 2.136 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.641 -7.021 0.897 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.382 -7.870 2.171 1.00 0.00 C ATOM 0 H LEU A 36 -1.386 -4.771 4.464 1.00 0.00 H new ATOM 0 HA LEU A 36 1.279 -5.785 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.052 -4.733 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.479 -5.262 1.417 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.387 -7.043 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.010 -8.046 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.485 -6.334 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.057 -6.804 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.027 -8.878 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.056 -7.691 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.932 -7.768 3.107 1.00 0.00 H new ATOM 561 N ALA A 37 0.897 -2.938 4.613 1.00 0.00 N ATOM 562 CA ALA A 37 1.452 -1.601 4.738 1.00 0.00 C ATOM 563 C ALA A 37 2.967 -1.698 4.933 1.00 0.00 C ATOM 564 O ALA A 37 3.730 -1.029 4.238 1.00 0.00 O ATOM 565 CB ALA A 37 0.762 -0.867 5.890 1.00 0.00 C ATOM 0 H ALA A 37 0.335 -3.243 5.408 1.00 0.00 H new ATOM 0 HA ALA A 37 1.273 -1.025 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.178 0.136 5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.307 -0.799 5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.923 -1.415 6.819 1.00 0.00 H new ATOM 571 N PRO A 38 3.367 -2.558 5.907 1.00 0.00 N ATOM 572 CA PRO A 38 4.776 -2.752 6.202 1.00 0.00 C ATOM 573 C PRO A 38 5.450 -3.603 5.125 1.00 0.00 C ATOM 574 O PRO A 38 6.562 -3.300 4.694 1.00 0.00 O ATOM 575 CB PRO A 38 4.805 -3.400 7.577 1.00 0.00 C ATOM 576 CG PRO A 38 3.413 -3.969 7.798 1.00 0.00 C ATOM 577 CD PRO A 38 2.491 -3.367 6.750 1.00 0.00 C ATOM 0 HA PRO A 38 5.337 -1.818 6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.560 -4.185 7.623 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.056 -2.671 8.347 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.427 -5.056 7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.058 -3.731 8.801 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.990 -4.143 6.171 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.712 -2.759 7.210 1.00 0.00 H new ATOM 585 N ILE A 39 4.749 -4.652 4.720 1.00 0.00 N ATOM 586 CA ILE A 39 5.266 -5.549 3.701 1.00 0.00 C ATOM 587 C ILE A 39 5.628 -4.742 2.452 1.00 0.00 C ATOM 588 O ILE A 39 6.614 -5.041 1.780 1.00 0.00 O ATOM 589 CB ILE A 39 4.274 -6.684 3.433 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.276 -7.695 4.581 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.552 -7.348 2.083 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.867 -7.885 5.147 1.00 0.00 C ATOM 0 H ILE A 39 3.827 -4.901 5.079 1.00 0.00 H new ATOM 0 HA ILE A 39 6.181 -6.030 4.046 1.00 0.00 H new ATOM 0 HB ILE A 39 3.272 -6.258 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.662 -8.651 4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.946 -7.353 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.833 -8.151 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.459 -6.608 1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.562 -7.759 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.897 -8.609 5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.494 -6.932 5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.205 -8.250 4.361 1.00 0.00 H new ATOM 604 N ILE A 40 4.811 -3.735 2.180 1.00 0.00 N ATOM 605 CA ILE A 40 5.033 -2.883 1.024 1.00 0.00 C ATOM 606 C ILE A 40 6.115 -1.854 1.355 1.00 0.00 C ATOM 607 O ILE A 40 7.172 -1.835 0.726 1.00 0.00 O ATOM 608 CB ILE A 40 3.715 -2.261 0.556 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.885 -3.269 -0.240 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.966 -0.974 -0.233 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.422 -2.830 -0.326 1.00 0.00 C ATOM 0 H ILE A 40 3.995 -3.490 2.740 1.00 0.00 H new ATOM 0 HA ILE A 40 5.398 -3.471 0.182 1.00 0.00 H new ATOM 0 HB ILE A 40 3.133 -1.990 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.297 -3.372 -1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.947 -4.250 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.013 -0.552 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.486 -0.255 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.577 -1.197 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.855 -3.565 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.006 -2.751 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.362 -1.861 -0.821 1.00 0.00 H new ATOM 623 N CYS A 41 5.815 -1.023 2.342 1.00 0.00 N ATOM 624 CA CYS A 41 6.749 0.007 2.765 1.00 0.00 C ATOM 625 C CYS A 41 8.133 -0.629 2.905 1.00 0.00 C ATOM 626 O CYS A 41 9.138 -0.031 2.522 1.00 0.00 O ATOM 627 CB CYS A 41 6.298 0.683 4.061 1.00 0.00 C ATOM 628 SG CYS A 41 5.518 2.296 3.686 1.00 0.00 S ATOM 0 H CYS A 41 4.937 -1.042 2.862 1.00 0.00 H new ATOM 0 HA CYS A 41 6.787 0.797 2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.592 0.042 4.589 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.153 0.828 4.722 1.00 0.00 H new ATOM 0 HG CYS A 41 4.624 2.140 2.755 1.00 0.00 H new ATOM 634 N SER A 42 8.143 -1.835 3.455 1.00 0.00 N ATOM 635 CA SER A 42 9.387 -2.559 3.651 1.00 0.00 C ATOM 636 C SER A 42 10.125 -2.701 2.318 1.00 0.00 C ATOM 637 O SER A 42 11.316 -2.405 2.229 1.00 0.00 O ATOM 638 CB SER A 42 9.132 -3.936 4.266 1.00 0.00 C ATOM 639 OG SER A 42 10.305 -4.745 4.268 1.00 0.00 O ATOM 0 H SER A 42 7.308 -2.329 3.771 1.00 0.00 H new ATOM 0 HA SER A 42 10.008 -1.991 4.344 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.773 -3.816 5.288 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.344 -4.442 3.708 1.00 0.00 H new ATOM 0 HG SER A 42 10.101 -5.615 4.670 1.00 0.00 H new ATOM 645 N LYS A 43 9.387 -3.153 1.315 1.00 0.00 N ATOM 646 CA LYS A 43 9.957 -3.337 -0.009 1.00 0.00 C ATOM 647 C LYS A 43 10.600 -2.028 -0.470 1.00 0.00 C ATOM 648 O LYS A 43 11.671 -2.038 -1.075 1.00 0.00 O ATOM 649 CB LYS A 43 8.901 -3.878 -0.976 1.00 0.00 C ATOM 650 CG LYS A 43 9.023 -5.395 -1.129 1.00 0.00 C ATOM 651 CD LYS A 43 8.288 -6.121 -0.001 1.00 0.00 C ATOM 652 CE LYS A 43 8.613 -7.616 -0.008 1.00 0.00 C ATOM 653 NZ LYS A 43 10.052 -7.836 0.255 1.00 0.00 N ATOM 0 H LYS A 43 8.400 -3.397 1.392 1.00 0.00 H new ATOM 0 HA LYS A 43 10.747 -4.088 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.905 -3.625 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.015 -3.400 -1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.613 -5.701 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.075 -5.681 -1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.570 -5.688 0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.213 -5.978 -0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.017 -8.127 0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.343 -8.048 -0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.192 -8.790 0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.585 -7.742 -0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.392 -7.130 0.939 1.00 0.00 H new ATOM 667 N CYS A 44 9.920 -0.932 -0.166 1.00 0.00 N ATOM 668 CA CYS A 44 10.412 0.382 -0.542 1.00 0.00 C ATOM 669 C CYS A 44 11.172 0.969 0.649 1.00 0.00 C ATOM 670 O CYS A 44 11.398 2.176 0.712 1.00 0.00 O ATOM 671 CB CYS A 44 9.278 1.300 -1.003 1.00 0.00 C ATOM 672 SG CYS A 44 9.165 1.286 -2.830 1.00 0.00 S ATOM 0 H CYS A 44 9.032 -0.927 0.336 1.00 0.00 H new ATOM 0 HA CYS A 44 11.086 0.291 -1.393 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.334 0.971 -0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.455 2.316 -0.649 1.00 0.00 H new ATOM 0 HG CYS A 44 9.124 2.508 -3.272 1.00 0.00 H new ATOM 678 N GLU A 45 11.545 0.087 1.565 1.00 0.00 N ATOM 679 CA GLU A 45 12.275 0.503 2.751 1.00 0.00 C ATOM 680 C GLU A 45 11.752 1.851 3.250 1.00 0.00 C ATOM 681 O GLU A 45 12.533 2.724 3.626 1.00 0.00 O ATOM 682 CB GLU A 45 13.778 0.566 2.475 1.00 0.00 C ATOM 683 CG GLU A 45 14.366 -0.838 2.317 1.00 0.00 C ATOM 684 CD GLU A 45 15.712 -0.952 3.036 1.00 0.00 C ATOM 685 OE1 GLU A 45 15.719 -0.728 4.266 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.703 -1.262 2.340 1.00 0.00 O ATOM 0 H GLU A 45 11.355 -0.914 1.510 1.00 0.00 H new ATOM 0 HA GLU A 45 12.113 -0.239 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.961 1.145 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.280 1.085 3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.671 -1.575 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.494 -1.066 1.259 1.00 0.00 H new ATOM 693 N PHE A 46 10.433 1.979 3.239 1.00 0.00 N ATOM 694 CA PHE A 46 9.797 3.207 3.686 1.00 0.00 C ATOM 695 C PHE A 46 9.492 3.152 5.185 1.00 0.00 C ATOM 696 O PHE A 46 9.929 2.233 5.877 1.00 0.00 O ATOM 697 CB PHE A 46 8.481 3.335 2.915 1.00 0.00 C ATOM 698 CG PHE A 46 8.555 4.276 1.711 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.754 4.536 1.124 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.422 4.853 1.228 1.00 0.00 C ATOM 701 CE1 PHE A 46 9.823 5.409 0.006 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.491 5.727 0.111 1.00 0.00 C ATOM 703 CZ PHE A 46 8.690 5.986 -0.477 1.00 0.00 C ATOM 0 H PHE A 46 9.788 1.253 2.928 1.00 0.00 H new ATOM 0 HA PHE A 46 10.458 4.055 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.175 2.347 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.707 3.691 3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.654 4.079 1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.470 4.646 1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.775 5.615 -0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.592 6.186 -0.272 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.742 6.650 -1.327 1.00 0.00 H new ATOM 713 N ASP A 47 8.746 4.146 5.641 1.00 0.00 N ATOM 714 CA ASP A 47 8.378 4.223 7.045 1.00 0.00 C ATOM 715 C ASP A 47 6.855 4.153 7.173 1.00 0.00 C ATOM 716 O ASP A 47 6.153 5.092 6.802 1.00 0.00 O ATOM 717 CB ASP A 47 8.844 5.541 7.666 1.00 0.00 C ATOM 718 CG ASP A 47 10.193 5.476 8.384 1.00 0.00 C ATOM 719 OD1 ASP A 47 10.439 4.439 9.038 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.949 6.464 8.264 1.00 0.00 O ATOM 0 H ASP A 47 8.386 4.906 5.063 1.00 0.00 H new ATOM 0 HA ASP A 47 8.855 3.392 7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.903 6.294 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.088 5.879 8.375 1.00 0.00 H new ATOM 725 N PRO A 48 6.376 3.000 7.714 1.00 0.00 N ATOM 726 CA PRO A 48 4.949 2.795 7.896 1.00 0.00 C ATOM 727 C PRO A 48 4.425 3.610 9.080 1.00 0.00 C ATOM 728 O PRO A 48 3.232 3.579 9.380 1.00 0.00 O ATOM 729 CB PRO A 48 4.788 1.296 8.088 1.00 0.00 C ATOM 730 CG PRO A 48 6.164 0.775 8.470 1.00 0.00 C ATOM 731 CD PRO A 48 7.177 1.866 8.165 1.00 0.00 C ATOM 0 HA PRO A 48 4.362 3.139 7.044 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.058 1.078 8.867 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.430 0.821 7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.193 0.512 9.528 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.398 -0.131 7.910 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.762 2.121 9.048 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.882 1.548 7.397 1.00 0.00 H new ATOM 739 N LEU A 49 5.342 4.319 9.722 1.00 0.00 N ATOM 740 CA LEU A 49 4.987 5.140 10.867 1.00 0.00 C ATOM 741 C LEU A 49 4.102 6.299 10.403 1.00 0.00 C ATOM 742 O LEU A 49 3.056 6.561 10.994 1.00 0.00 O ATOM 743 CB LEU A 49 6.244 5.587 11.616 1.00 0.00 C ATOM 744 CG LEU A 49 6.632 4.749 12.836 1.00 0.00 C ATOM 745 CD1 LEU A 49 8.014 5.145 13.356 1.00 0.00 C ATOM 746 CD2 LEU A 49 5.561 4.838 13.925 1.00 0.00 C ATOM 0 H LEU A 49 6.330 4.342 9.471 1.00 0.00 H new ATOM 0 HA LEU A 49 4.405 4.562 11.585 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.080 5.583 10.917 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.103 6.619 11.939 1.00 0.00 H new ATOM 0 HG LEU A 49 6.692 3.705 12.529 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.265 4.534 14.223 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.756 4.987 12.574 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.007 6.197 13.643 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.861 4.234 14.781 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.445 5.876 14.237 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.613 4.468 13.534 1.00 0.00 H new ATOM 758 N HIS A 50 4.556 6.963 9.350 1.00 0.00 N ATOM 759 CA HIS A 50 3.819 8.088 8.801 1.00 0.00 C ATOM 760 C HIS A 50 3.678 7.919 7.287 1.00 0.00 C ATOM 761 O HIS A 50 4.127 8.770 6.519 1.00 0.00 O ATOM 762 CB HIS A 50 4.478 9.412 9.191 1.00 0.00 C ATOM 763 CG HIS A 50 5.474 9.293 10.320 1.00 0.00 C ATOM 764 ND1 HIS A 50 5.128 9.481 11.647 1.00 0.00 N ATOM 765 CD2 HIS A 50 6.806 9.003 10.307 1.00 0.00 C ATOM 766 CE1 HIS A 50 6.212 9.310 12.390 1.00 0.00 C ATOM 767 NE2 HIS A 50 7.251 9.014 11.557 1.00 0.00 N ATOM 0 H HIS A 50 5.425 6.743 8.863 1.00 0.00 H new ATOM 0 HA HIS A 50 2.815 8.111 9.224 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.982 9.826 8.318 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.702 10.122 9.478 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.399 8.799 9.428 1.00 0.00 H new ATOM 0 HE1 HIS A 50 6.264 9.391 13.466 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.212 8.831 11.847 1.00 0.00 H new ATOM 775 N THR A 51 3.054 6.816 6.902 1.00 0.00 N ATOM 776 CA THR A 51 2.849 6.525 5.493 1.00 0.00 C ATOM 777 C THR A 51 1.356 6.385 5.189 1.00 0.00 C ATOM 778 O THR A 51 0.625 5.733 5.933 1.00 0.00 O ATOM 779 CB THR A 51 3.659 5.274 5.146 1.00 0.00 C ATOM 780 OG1 THR A 51 4.959 5.775 4.844 1.00 0.00 O ATOM 781 CG2 THR A 51 3.199 4.622 3.841 1.00 0.00 C ATOM 0 H THR A 51 2.683 6.113 7.541 1.00 0.00 H new ATOM 0 HA THR A 51 3.201 7.343 4.865 1.00 0.00 H new ATOM 0 HB THR A 51 3.580 4.553 5.960 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.451 5.932 5.677 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.806 3.739 3.642 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.152 4.330 3.929 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.310 5.331 3.021 1.00 0.00 H new ATOM 789 N LEU A 52 0.947 7.009 4.094 1.00 0.00 N ATOM 790 CA LEU A 52 -0.446 6.963 3.682 1.00 0.00 C ATOM 791 C LEU A 52 -0.573 6.098 2.426 1.00 0.00 C ATOM 792 O LEU A 52 0.430 5.672 1.857 1.00 0.00 O ATOM 793 CB LEU A 52 -1.002 8.378 3.513 1.00 0.00 C ATOM 794 CG LEU A 52 -1.941 8.866 4.618 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.273 10.349 4.441 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.201 8.001 4.689 1.00 0.00 C ATOM 0 H LEU A 52 1.556 7.549 3.479 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.057 6.496 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.163 9.071 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.535 8.427 2.563 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.426 8.763 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.942 10.670 5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.354 10.935 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.760 10.500 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.851 8.370 5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.729 8.048 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.922 6.968 4.899 1.00 0.00 H new ATOM 808 N LEU A 53 -1.816 5.864 2.031 1.00 0.00 N ATOM 809 CA LEU A 53 -2.088 5.058 0.854 1.00 0.00 C ATOM 810 C LEU A 53 -3.117 5.774 -0.023 1.00 0.00 C ATOM 811 O LEU A 53 -4.318 5.693 0.229 1.00 0.00 O ATOM 812 CB LEU A 53 -2.505 3.642 1.258 1.00 0.00 C ATOM 813 CG LEU A 53 -1.435 2.803 1.961 1.00 0.00 C ATOM 814 CD1 LEU A 53 -1.996 1.445 2.386 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.188 2.661 1.087 1.00 0.00 C ATOM 0 H LEU A 53 -2.646 6.219 2.506 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.184 4.941 0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.372 3.713 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.826 3.110 0.363 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.133 3.325 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.216 0.868 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.830 1.594 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.343 0.903 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.556 2.061 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.454 2.173 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.224 3.648 0.878 1.00 0.00 H new ATOM 827 N LEU A 54 -2.608 6.460 -1.036 1.00 0.00 N ATOM 828 CA LEU A 54 -3.467 7.191 -1.952 1.00 0.00 C ATOM 829 C LEU A 54 -3.663 6.368 -3.227 1.00 0.00 C ATOM 830 O LEU A 54 -2.918 5.422 -3.481 1.00 0.00 O ATOM 831 CB LEU A 54 -2.911 8.594 -2.205 1.00 0.00 C ATOM 832 CG LEU A 54 -2.607 9.429 -0.960 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.878 9.689 -0.150 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.513 8.773 -0.114 1.00 0.00 C ATOM 0 H LEU A 54 -1.611 6.525 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.453 7.339 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.995 8.501 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.626 9.141 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.227 10.398 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.633 10.285 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.598 10.229 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.310 8.739 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.316 9.387 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.841 7.783 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.602 8.682 -0.705 1.00 0.00 H new ATOM 846 N LYS A 55 -4.668 6.758 -3.997 1.00 0.00 N ATOM 847 CA LYS A 55 -4.971 6.068 -5.239 1.00 0.00 C ATOM 848 C LYS A 55 -3.724 6.052 -6.125 1.00 0.00 C ATOM 849 O LYS A 55 -3.038 5.035 -6.218 1.00 0.00 O ATOM 850 CB LYS A 55 -6.196 6.691 -5.913 1.00 0.00 C ATOM 851 CG LYS A 55 -7.415 6.637 -4.991 1.00 0.00 C ATOM 852 CD LYS A 55 -8.136 5.293 -5.113 1.00 0.00 C ATOM 853 CE LYS A 55 -9.184 5.332 -6.227 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.345 4.484 -5.877 1.00 0.00 N ATOM 0 H LYS A 55 -5.283 7.543 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.237 5.029 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.982 7.726 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.414 6.162 -6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.102 6.793 -3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.101 7.446 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.411 4.505 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.616 5.046 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.512 6.359 -6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.743 4.986 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.774 4.106 -6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.031 3.696 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.048 5.053 -5.363 1.00 0.00 H new ATOM 868 N ASP A 56 -3.468 7.190 -6.754 1.00 0.00 N ATOM 869 CA ASP A 56 -2.316 7.319 -7.629 1.00 0.00 C ATOM 870 C ASP A 56 -1.453 8.492 -7.160 1.00 0.00 C ATOM 871 O ASP A 56 -1.745 9.112 -6.138 1.00 0.00 O ATOM 872 CB ASP A 56 -2.747 7.596 -9.071 1.00 0.00 C ATOM 873 CG ASP A 56 -3.025 6.349 -9.913 1.00 0.00 C ATOM 874 OD1 ASP A 56 -3.815 5.506 -9.436 1.00 0.00 O ATOM 875 OD2 ASP A 56 -2.442 6.268 -11.016 1.00 0.00 O ATOM 0 H ASP A 56 -4.039 8.031 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.759 6.383 -7.593 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.646 8.212 -9.054 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.969 8.181 -9.561 1.00 0.00 H new ATOM 880 N TYR A 57 -0.408 8.761 -7.929 1.00 0.00 N ATOM 881 CA TYR A 57 0.499 9.849 -7.605 1.00 0.00 C ATOM 882 C TYR A 57 -0.217 11.200 -7.678 1.00 0.00 C ATOM 883 O TYR A 57 0.210 12.167 -7.049 1.00 0.00 O ATOM 884 CB TYR A 57 1.600 9.811 -8.666 1.00 0.00 C ATOM 885 CG TYR A 57 2.293 11.156 -8.893 1.00 0.00 C ATOM 886 CD1 TYR A 57 3.168 11.650 -7.947 1.00 0.00 C ATOM 887 CD2 TYR A 57 2.042 11.876 -10.044 1.00 0.00 C ATOM 888 CE1 TYR A 57 3.820 12.916 -8.161 1.00 0.00 C ATOM 889 CE2 TYR A 57 2.694 13.142 -10.257 1.00 0.00 C ATOM 890 CZ TYR A 57 3.550 13.600 -9.305 1.00 0.00 C ATOM 891 OH TYR A 57 4.166 14.795 -9.507 1.00 0.00 O ATOM 0 H TYR A 57 -0.169 8.244 -8.775 1.00 0.00 H new ATOM 0 HA TYR A 57 0.889 9.735 -6.594 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.347 9.074 -8.373 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.170 9.472 -9.609 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.364 11.087 -7.046 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.357 11.490 -10.784 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.508 13.313 -7.429 1.00 0.00 H new ATOM 0 HE2 TYR A 57 2.507 13.715 -11.153 1.00 0.00 H new ATOM 0 HH TYR A 57 3.879 15.170 -10.366 1.00 0.00 H new ATOM 901 N GLN A 58 -1.293 11.222 -8.450 1.00 0.00 N ATOM 902 CA GLN A 58 -2.072 12.438 -8.613 1.00 0.00 C ATOM 903 C GLN A 58 -3.561 12.144 -8.422 1.00 0.00 C ATOM 904 O GLN A 58 -4.277 11.888 -9.389 1.00 0.00 O ATOM 905 CB GLN A 58 -1.810 13.077 -9.979 1.00 0.00 C ATOM 906 CG GLN A 58 -0.590 13.999 -9.928 1.00 0.00 C ATOM 907 CD GLN A 58 -0.937 15.396 -10.447 1.00 0.00 C ATOM 908 OE1 GLN A 58 -2.090 15.756 -10.614 1.00 0.00 O ATOM 909 NE2 GLN A 58 0.124 16.160 -10.692 1.00 0.00 N ATOM 0 H GLN A 58 -1.644 10.418 -8.970 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.762 13.151 -7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.651 12.298 -10.724 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.686 13.644 -10.293 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.224 14.068 -8.903 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.216 13.575 -10.526 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.063 15.796 -10.530 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.001 17.110 -11.042 1.00 0.00 H new ATOM 918 N SER A 59 -3.984 12.190 -7.167 1.00 0.00 N ATOM 919 CA SER A 59 -5.375 11.932 -6.836 1.00 0.00 C ATOM 920 C SER A 59 -5.724 12.587 -5.498 1.00 0.00 C ATOM 921 O SER A 59 -6.760 13.239 -5.373 1.00 0.00 O ATOM 922 CB SER A 59 -5.659 10.430 -6.782 1.00 0.00 C ATOM 923 OG SER A 59 -6.658 10.041 -7.720 1.00 0.00 O ATOM 0 H SER A 59 -3.388 12.402 -6.367 1.00 0.00 H new ATOM 0 HA SER A 59 -5.999 12.364 -7.619 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.740 9.880 -6.983 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.980 10.158 -5.777 1.00 0.00 H new ATOM 0 HG SER A 59 -6.924 9.113 -7.549 1.00 0.00 H new ATOM 929 N GLN A 60 -4.841 12.390 -4.530 1.00 0.00 N ATOM 930 CA GLN A 60 -5.043 12.954 -3.206 1.00 0.00 C ATOM 931 C GLN A 60 -6.204 12.249 -2.502 1.00 0.00 C ATOM 932 O GLN A 60 -6.850 12.830 -1.630 1.00 0.00 O ATOM 933 CB GLN A 60 -5.282 14.463 -3.283 1.00 0.00 C ATOM 934 CG GLN A 60 -4.308 15.123 -4.261 1.00 0.00 C ATOM 935 CD GLN A 60 -4.150 16.614 -3.954 1.00 0.00 C ATOM 936 OE1 GLN A 60 -4.998 17.432 -4.272 1.00 0.00 O ATOM 937 NE2 GLN A 60 -3.021 16.920 -3.321 1.00 0.00 N ATOM 0 H GLN A 60 -3.984 11.848 -4.636 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.137 12.794 -2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.307 14.657 -3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.164 14.904 -2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.337 14.631 -4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.668 14.994 -5.282 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.354 16.186 -3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.822 17.889 -3.072 1.00 0.00 H new ATOM 946 N GLU A 61 -6.435 11.009 -2.906 1.00 0.00 N ATOM 947 CA GLU A 61 -7.507 10.219 -2.324 1.00 0.00 C ATOM 948 C GLU A 61 -6.934 9.004 -1.592 1.00 0.00 C ATOM 949 O GLU A 61 -6.375 8.105 -2.218 1.00 0.00 O ATOM 950 CB GLU A 61 -8.515 9.791 -3.393 1.00 0.00 C ATOM 951 CG GLU A 61 -9.787 9.231 -2.754 1.00 0.00 C ATOM 952 CD GLU A 61 -10.810 8.839 -3.822 1.00 0.00 C ATOM 953 OE1 GLU A 61 -11.394 9.771 -4.417 1.00 0.00 O ATOM 954 OE2 GLU A 61 -10.986 7.618 -4.018 1.00 0.00 O ATOM 0 H GLU A 61 -5.898 10.531 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.036 10.838 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.766 10.644 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.066 9.037 -4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.540 8.361 -2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.221 9.975 -2.086 1.00 0.00 H new ATOM 961 N PRO A 62 -7.098 9.016 -0.242 1.00 0.00 N ATOM 962 CA PRO A 62 -6.604 7.926 0.582 1.00 0.00 C ATOM 963 C PRO A 62 -7.497 6.691 0.450 1.00 0.00 C ATOM 964 O PRO A 62 -8.708 6.812 0.270 1.00 0.00 O ATOM 965 CB PRO A 62 -6.569 8.485 1.995 1.00 0.00 C ATOM 966 CG PRO A 62 -7.477 9.704 1.983 1.00 0.00 C ATOM 967 CD PRO A 62 -7.755 10.064 0.533 1.00 0.00 C ATOM 0 HA PRO A 62 -5.614 7.585 0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.917 7.746 2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.553 8.757 2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.408 9.492 2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.002 10.539 2.499 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.826 10.094 0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.356 11.048 0.286 1.00 0.00 H new ATOM 975 N LEU A 63 -6.865 5.530 0.546 1.00 0.00 N ATOM 976 CA LEU A 63 -7.588 4.274 0.440 1.00 0.00 C ATOM 977 C LEU A 63 -7.998 3.807 1.837 1.00 0.00 C ATOM 978 O LEU A 63 -7.572 4.381 2.838 1.00 0.00 O ATOM 979 CB LEU A 63 -6.762 3.245 -0.335 1.00 0.00 C ATOM 980 CG LEU A 63 -5.990 3.777 -1.544 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.788 2.886 -1.863 1.00 0.00 C ATOM 982 CD2 LEU A 63 -6.914 3.947 -2.752 1.00 0.00 C ATOM 0 H LEU A 63 -5.861 5.433 0.696 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.505 4.409 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.051 2.787 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.430 2.454 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.601 4.764 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.257 3.287 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.117 2.859 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.133 1.876 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.341 4.326 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.352 2.984 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.708 4.652 -2.506 1.00 0.00 H new ATOM 994 N ASP A 64 -8.821 2.768 1.862 1.00 0.00 N ATOM 995 CA ASP A 64 -9.293 2.217 3.121 1.00 0.00 C ATOM 996 C ASP A 64 -8.511 0.942 3.439 1.00 0.00 C ATOM 997 O ASP A 64 -8.799 -0.120 2.890 1.00 0.00 O ATOM 998 CB ASP A 64 -10.778 1.855 3.040 1.00 0.00 C ATOM 999 CG ASP A 64 -11.711 2.772 3.832 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.953 3.896 3.342 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.162 2.329 4.910 1.00 0.00 O ATOM 0 H ASP A 64 -9.173 2.294 1.030 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.147 2.970 3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.083 1.868 1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.908 0.833 3.398 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.538 1.088 4.326 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.713 -0.039 4.725 1.00 0.00 C ATOM 1008 C LEU A 65 -7.607 -1.253 4.987 1.00 0.00 C ATOM 1009 O LEU A 65 -7.388 -2.323 4.422 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.826 0.340 5.913 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.915 1.553 5.710 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.702 2.304 7.025 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.591 1.142 5.063 1.00 0.00 C ATOM 0 H LEU A 65 -7.302 1.971 4.780 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.029 -0.314 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.467 0.532 6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.204 -0.519 6.165 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.409 2.240 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.051 3.161 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.663 2.649 7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.240 1.638 7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.962 2.022 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.080 0.425 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.786 0.686 4.093 1.00 0.00 H new ATOM 1025 N THR A 66 -8.594 -1.045 5.846 1.00 0.00 N ATOM 1026 CA THR A 66 -9.522 -2.109 6.190 1.00 0.00 C ATOM 1027 C THR A 66 -9.907 -2.905 4.942 1.00 0.00 C ATOM 1028 O THR A 66 -10.149 -4.109 5.019 1.00 0.00 O ATOM 1029 CB THR A 66 -10.721 -1.479 6.903 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.135 -0.433 6.027 1.00 0.00 O ATOM 1031 CG2 THR A 66 -10.322 -0.752 8.188 1.00 0.00 C ATOM 0 H THR A 66 -8.771 -0.156 6.314 1.00 0.00 H new ATOM 0 HA THR A 66 -9.064 -2.829 6.868 1.00 0.00 H new ATOM 0 HB THR A 66 -11.453 -2.253 7.136 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.910 0.028 6.411 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.209 -0.324 8.654 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.856 -1.458 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.616 0.044 7.951 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.953 -2.201 3.821 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.304 -2.828 2.558 1.00 0.00 C ATOM 1041 C LYS A 67 -9.045 -3.410 1.914 1.00 0.00 C ATOM 1042 O LYS A 67 -7.939 -2.929 2.157 1.00 0.00 O ATOM 1043 CB LYS A 67 -11.053 -1.841 1.660 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.241 -1.220 2.399 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.563 -1.810 1.905 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.338 -2.457 3.054 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.145 -3.595 2.559 1.00 0.00 N ATOM 0 H LYS A 67 -9.753 -1.203 3.761 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.990 -3.658 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.373 -1.055 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.405 -2.353 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.139 -1.394 3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.242 -0.140 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.168 -1.026 1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.367 -2.552 1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.644 -2.802 3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.989 -1.719 3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.665 -4.023 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.821 -3.257 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.517 -4.306 2.133 1.00 0.00 H new ATOM 1061 N SER A 68 -9.253 -4.438 1.104 1.00 0.00 N ATOM 1062 CA SER A 68 -8.148 -5.091 0.424 1.00 0.00 C ATOM 1063 C SER A 68 -8.157 -4.722 -1.061 1.00 0.00 C ATOM 1064 O SER A 68 -9.072 -4.050 -1.532 1.00 0.00 O ATOM 1065 CB SER A 68 -8.217 -6.610 0.594 1.00 0.00 C ATOM 1066 OG SER A 68 -9.560 -7.076 0.690 1.00 0.00 O ATOM 0 H SER A 68 -10.171 -4.835 0.904 1.00 0.00 H new ATOM 0 HA SER A 68 -7.217 -4.745 0.873 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.726 -7.092 -0.251 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.668 -6.900 1.490 1.00 0.00 H new ATOM 0 HG SER A 68 -9.561 -8.050 0.796 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.126 -5.179 -1.757 1.00 0.00 N ATOM 1073 CA LEU A 69 -7.003 -4.906 -3.179 1.00 0.00 C ATOM 1074 C LEU A 69 -8.219 -5.477 -3.911 1.00 0.00 C ATOM 1075 O LEU A 69 -8.654 -4.928 -4.922 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.666 -5.424 -3.711 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.422 -4.650 -3.269 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.354 -3.285 -3.955 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.365 -4.530 -1.745 1.00 0.00 C ATOM 0 H LEU A 69 -6.368 -5.736 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.997 -3.831 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.552 -6.463 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.705 -5.419 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.541 -5.211 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.461 -2.755 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.314 -3.422 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.238 -2.703 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.472 -3.976 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.250 -4.003 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.333 -5.526 -1.303 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.734 -6.572 -3.371 1.00 0.00 N ATOM 1092 CA ASN A 70 -9.892 -7.224 -3.960 1.00 0.00 C ATOM 1093 C ASN A 70 -11.120 -6.329 -3.783 1.00 0.00 C ATOM 1094 O ASN A 70 -11.848 -6.071 -4.741 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.178 -8.561 -3.275 1.00 0.00 C ATOM 1096 CG ASN A 70 -9.691 -9.732 -4.132 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -9.854 -9.760 -5.341 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.086 -10.693 -3.441 1.00 0.00 N ATOM 0 H ASN A 70 -8.371 -7.024 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.682 -7.398 -5.015 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.686 -8.588 -2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.248 -8.659 -3.093 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.725 -11.517 -3.922 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.983 -10.606 -2.430 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.313 -5.880 -2.551 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.441 -5.020 -2.237 1.00 0.00 C ATOM 1107 C ASP A 71 -12.338 -3.731 -3.055 1.00 0.00 C ATOM 1108 O ASP A 71 -13.281 -3.356 -3.750 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.447 -4.640 -0.755 1.00 0.00 C ATOM 1110 CG ASP A 71 -12.428 -5.822 0.216 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -12.570 -6.962 -0.275 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -12.271 -5.558 1.428 1.00 0.00 O ATOM 0 H ASP A 71 -10.707 -6.096 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.356 -5.563 -2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.581 -4.010 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.333 -4.038 -0.553 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.184 -3.089 -2.946 1.00 0.00 N ATOM 1118 CA LEU A 72 -10.946 -1.851 -3.667 1.00 0.00 C ATOM 1119 C LEU A 72 -11.048 -2.114 -5.171 1.00 0.00 C ATOM 1120 O LEU A 72 -11.609 -1.306 -5.909 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.614 -1.230 -3.240 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.547 -0.709 -1.803 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -8.100 -0.639 -1.312 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.262 0.638 -1.674 1.00 0.00 C ATOM 0 H LEU A 72 -10.404 -3.403 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.709 -1.113 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.829 -1.975 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.387 -0.405 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.072 -1.415 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.081 -0.266 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.656 -1.634 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.530 0.033 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.200 0.986 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.788 1.366 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.309 0.523 -1.955 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.496 -3.247 -5.580 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.518 -3.626 -6.982 1.00 0.00 C ATOM 1138 C GLY A 73 -9.436 -2.882 -7.768 1.00 0.00 C ATOM 1139 O GLY A 73 -9.624 -2.565 -8.942 1.00 0.00 O ATOM 0 H GLY A 73 -10.031 -3.915 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.365 -4.701 -7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.497 -3.406 -7.407 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.328 -2.626 -7.090 1.00 0.00 N ATOM 1144 CA LEU A 74 -7.216 -1.925 -7.710 1.00 0.00 C ATOM 1145 C LEU A 74 -6.017 -2.871 -7.814 1.00 0.00 C ATOM 1146 O LEU A 74 -5.976 -3.902 -7.145 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.913 -0.629 -6.957 1.00 0.00 C ATOM 1148 CG LEU A 74 -8.075 0.358 -6.825 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.740 1.469 -5.829 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.478 0.916 -8.192 1.00 0.00 C ATOM 0 H LEU A 74 -8.176 -2.891 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.474 -1.623 -8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.566 -0.886 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.089 -0.124 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.937 -0.180 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.582 2.157 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.540 1.032 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.859 2.011 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.306 1.615 -8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.629 1.434 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.787 0.098 -8.842 1.00 0.00 H new ATOM 1162 N ARG A 75 -5.072 -2.485 -8.659 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.876 -3.286 -8.859 1.00 0.00 C ATOM 1164 C ARG A 75 -2.625 -2.448 -8.588 1.00 0.00 C ATOM 1165 O ARG A 75 -1.504 -2.934 -8.732 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.814 -3.836 -10.285 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.718 -5.060 -10.440 1.00 0.00 C ATOM 1168 CD ARG A 75 -4.076 -6.300 -9.814 1.00 0.00 C ATOM 1169 NE ARG A 75 -4.176 -7.447 -10.744 1.00 0.00 N ATOM 1170 CZ ARG A 75 -3.520 -7.528 -11.910 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -2.713 -6.531 -12.295 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -3.672 -8.607 -12.690 1.00 0.00 N ATOM 0 H ARG A 75 -5.110 -1.629 -9.212 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.916 -4.122 -8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.119 -3.063 -10.990 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.787 -4.105 -10.531 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.681 -4.867 -9.967 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.912 -5.241 -11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.030 -6.100 -9.582 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.571 -6.540 -8.873 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.782 -8.224 -10.481 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.598 -5.710 -11.701 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.214 -6.593 -13.182 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.287 -9.366 -12.396 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.173 -8.669 -13.577 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.858 -1.202 -8.201 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.764 -0.292 -7.909 1.00 0.00 C ATOM 1188 C GLU A 76 -2.200 0.747 -6.874 1.00 0.00 C ATOM 1189 O GLU A 76 -3.390 1.023 -6.729 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.258 0.384 -9.184 1.00 0.00 C ATOM 1191 CG GLU A 76 -2.301 1.356 -9.741 1.00 0.00 C ATOM 1192 CD GLU A 76 -3.068 0.728 -10.907 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -3.129 -0.520 -10.939 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -3.575 1.510 -11.739 1.00 0.00 O ATOM 0 H GLU A 76 -3.789 -0.802 -8.083 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.939 -0.869 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.333 0.920 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.024 -0.373 -9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.998 1.638 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.810 2.270 -10.074 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.213 1.295 -6.180 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.480 2.298 -5.163 1.00 0.00 C ATOM 1203 C LEU A 77 -0.241 3.179 -4.984 1.00 0.00 C ATOM 1204 O LEU A 77 0.824 2.874 -5.518 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.955 1.635 -3.869 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.107 0.466 -3.363 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.486 0.788 -2.003 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.922 -0.828 -3.329 1.00 0.00 C ATOM 0 H LEU A 77 -0.227 1.063 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.294 2.952 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.994 2.394 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.975 1.280 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.286 0.311 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.111 -0.059 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.151 1.668 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.277 0.985 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.296 -1.643 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.776 -0.703 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.275 -1.062 -4.333 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.423 4.253 -4.230 1.00 0.00 N ATOM 1221 CA TYR A 78 0.667 5.180 -3.974 1.00 0.00 C ATOM 1222 C TYR A 78 0.924 5.322 -2.472 1.00 0.00 C ATOM 1223 O TYR A 78 -0.016 5.377 -1.680 1.00 0.00 O ATOM 1224 CB TYR A 78 0.212 6.530 -4.531 1.00 0.00 C ATOM 1225 CG TYR A 78 1.186 7.677 -4.256 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.302 7.840 -5.052 1.00 0.00 C ATOM 1227 CD2 TYR A 78 0.949 8.549 -3.213 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.219 8.919 -4.793 1.00 0.00 C ATOM 1229 CE2 TYR A 78 1.867 9.628 -2.954 1.00 0.00 C ATOM 1230 CZ TYR A 78 2.956 9.760 -3.757 1.00 0.00 C ATOM 1231 OH TYR A 78 3.823 10.780 -3.513 1.00 0.00 O ATOM 0 H TYR A 78 -1.308 4.502 -3.788 1.00 0.00 H new ATOM 0 HA TYR A 78 1.589 4.826 -4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.070 6.438 -5.608 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.758 6.780 -4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.487 7.158 -5.869 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.075 8.422 -2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.096 9.058 -5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.694 10.317 -2.140 1.00 0.00 H new ATOM 0 HH TYR A 78 3.508 11.300 -2.744 1.00 0.00 H new ATOM 1241 N ALA A 79 2.201 5.377 -2.126 1.00 0.00 N ATOM 1242 CA ALA A 79 2.594 5.512 -0.733 1.00 0.00 C ATOM 1243 C ALA A 79 3.077 6.942 -0.480 1.00 0.00 C ATOM 1244 O ALA A 79 4.130 7.342 -0.974 1.00 0.00 O ATOM 1245 CB ALA A 79 3.662 4.468 -0.400 1.00 0.00 C ATOM 0 H ALA A 79 2.978 5.331 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 79 1.744 5.330 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.957 4.569 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.259 3.469 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.532 4.621 -1.039 1.00 0.00 H new ATOM 1251 N MET A 80 2.284 7.672 0.290 1.00 0.00 N ATOM 1252 CA MET A 80 2.618 9.049 0.615 1.00 0.00 C ATOM 1253 C MET A 80 3.280 9.142 1.991 1.00 0.00 C ATOM 1254 O MET A 80 2.877 8.453 2.926 1.00 0.00 O ATOM 1255 CB MET A 80 1.346 9.899 0.602 1.00 0.00 C ATOM 1256 CG MET A 80 1.682 11.390 0.671 1.00 0.00 C ATOM 1257 SD MET A 80 0.847 12.266 -0.641 1.00 0.00 S ATOM 1258 CE MET A 80 -0.807 12.323 0.028 1.00 0.00 C ATOM 0 H MET A 80 1.412 7.337 0.698 1.00 0.00 H new ATOM 0 HA MET A 80 3.321 9.419 -0.131 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.776 9.693 -0.304 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.713 9.626 1.446 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.382 11.794 1.638 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.759 11.533 0.586 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.528 12.362 -0.788 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.987 11.432 0.629 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.917 13.210 0.652 1.00 0.00 H new ATOM 1268 N ASP A 81 4.286 10.001 2.070 1.00 0.00 N ATOM 1269 CA ASP A 81 5.009 10.194 3.316 1.00 0.00 C ATOM 1270 C ASP A 81 4.685 11.578 3.880 1.00 0.00 C ATOM 1271 O ASP A 81 5.207 12.585 3.403 1.00 0.00 O ATOM 1272 CB ASP A 81 6.521 10.116 3.094 1.00 0.00 C ATOM 1273 CG ASP A 81 7.120 8.713 3.210 1.00 0.00 C ATOM 1274 OD1 ASP A 81 7.138 8.197 4.348 1.00 0.00 O ATOM 1275 OD2 ASP A 81 7.547 8.189 2.159 1.00 0.00 O ATOM 0 H ASP A 81 4.617 10.571 1.292 1.00 0.00 H new ATOM 0 HA ASP A 81 4.705 9.408 4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.749 10.511 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.013 10.766 3.817 1.00 0.00 H new