USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 490 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0223 K(o=-0.022,f=-0.71) USER MOD Single : A 19 THR OG1 : rot 7:sc= 0.13 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 5:sc= 0.427 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 174:sc= -0.609 (180deg=-0.697) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 157:sc= -0.552 USER MOD Single : A 70 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 0.248 12.485 8.998 1.00 0.00 N ATOM 95 CA LYS A 10 0.845 12.510 7.668 1.00 0.00 C ATOM 96 C LYS A 10 1.864 11.387 7.507 1.00 0.00 C ATOM 97 O LYS A 10 1.611 10.400 6.816 1.00 0.00 O ATOM 98 CB LYS A 10 1.516 13.862 7.414 1.00 0.00 C ATOM 99 CG LYS A 10 0.580 15.047 7.581 1.00 0.00 C ATOM 100 CD LYS A 10 -0.489 15.070 6.502 1.00 0.00 C ATOM 101 CE LYS A 10 -1.723 15.833 6.956 1.00 0.00 C ATOM 102 NZ LYS A 10 -1.530 17.306 6.864 1.00 0.00 N ATOM 0 HA LYS A 10 0.050 12.362 6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.357 13.975 8.098 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.924 13.872 6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.107 15.003 8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.154 15.973 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.087 15.531 5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.767 14.049 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.576 15.540 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.960 15.561 7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.394 17.790 7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.732 17.590 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.329 17.569 5.878 1.00 0.00 H new ATOM 116 N LYS A 11 3.016 11.542 8.151 1.00 0.00 N ATOM 117 CA LYS A 11 4.073 10.540 8.082 1.00 0.00 C ATOM 118 C LYS A 11 3.585 9.197 8.617 1.00 0.00 C ATOM 119 O LYS A 11 2.659 9.123 9.425 1.00 0.00 O ATOM 120 CB LYS A 11 5.296 11.003 8.876 1.00 0.00 C ATOM 121 CG LYS A 11 5.261 10.596 10.339 1.00 0.00 C ATOM 122 CD LYS A 11 6.386 11.246 11.126 1.00 0.00 C ATOM 123 CE LYS A 11 7.638 10.383 11.125 1.00 0.00 C ATOM 124 NZ LYS A 11 8.607 10.809 12.173 1.00 0.00 N ATOM 0 H LYS A 11 3.241 12.353 8.727 1.00 0.00 H new ATOM 0 HA LYS A 11 4.353 10.415 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.195 10.593 8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.371 12.088 8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.302 10.878 10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.340 9.512 10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.615 12.222 10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.062 11.417 12.152 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.361 9.341 11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.115 10.436 10.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.446 10.196 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.891 11.795 12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.161 10.734 13.109 1.00 0.00 H new ATOM 138 N PRO A 12 4.221 8.110 8.157 1.00 0.00 N ATOM 139 CA PRO A 12 3.870 6.750 8.578 1.00 0.00 C ATOM 140 C PRO A 12 4.246 6.477 10.030 1.00 0.00 C ATOM 141 O PRO A 12 5.422 6.383 10.385 1.00 0.00 O ATOM 142 CB PRO A 12 4.691 5.864 7.637 1.00 0.00 C ATOM 143 CG PRO A 12 5.848 6.711 7.234 1.00 0.00 C ATOM 144 CD PRO A 12 5.333 8.124 7.192 1.00 0.00 C ATOM 0 HA PRO A 12 2.796 6.572 8.525 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.022 4.954 8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.105 5.556 6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.668 6.616 7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.234 6.407 6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.103 8.841 7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.995 8.399 6.193 1.00 0.00 H new ATOM 152 N PRO A 13 3.227 6.346 10.892 1.00 0.00 N ATOM 153 CA PRO A 13 3.427 6.081 12.320 1.00 0.00 C ATOM 154 C PRO A 13 3.955 4.675 12.580 1.00 0.00 C ATOM 155 O PRO A 13 3.922 3.817 11.700 1.00 0.00 O ATOM 156 CB PRO A 13 2.024 6.243 12.910 1.00 0.00 C ATOM 157 CG PRO A 13 1.100 5.958 11.776 1.00 0.00 C ATOM 158 CD PRO A 13 1.801 6.447 10.539 1.00 0.00 C ATOM 0 HA PRO A 13 4.169 6.748 12.759 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.860 5.552 13.737 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.873 7.249 13.301 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.884 4.892 11.707 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.146 6.468 11.912 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.558 5.835 9.671 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.519 7.471 10.296 1.00 0.00 H new ATOM 166 N ASN A 14 4.443 4.446 13.795 1.00 0.00 N ATOM 167 CA ASN A 14 4.979 3.143 14.171 1.00 0.00 C ATOM 168 C ASN A 14 4.005 2.028 13.803 1.00 0.00 C ATOM 169 O ASN A 14 3.032 1.779 14.516 1.00 0.00 O ATOM 170 CB ASN A 14 5.274 3.103 15.672 1.00 0.00 C ATOM 171 CG ASN A 14 6.514 3.896 16.038 1.00 0.00 C ATOM 172 OD1 ASN A 14 7.516 3.868 15.323 1.00 0.00 O ATOM 173 ND2 ASN A 14 6.453 4.606 17.158 1.00 0.00 N ATOM 0 H ASN A 14 4.478 5.146 14.536 1.00 0.00 H new ATOM 0 HA ASN A 14 5.907 2.987 13.621 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.418 3.499 16.219 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.402 2.067 15.987 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.257 5.158 17.457 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.602 4.600 17.720 1.00 0.00 H new ATOM 180 N ARG A 15 4.275 1.359 12.687 1.00 0.00 N ATOM 181 CA ARG A 15 3.422 0.270 12.224 1.00 0.00 C ATOM 182 C ARG A 15 4.261 -0.889 11.694 1.00 0.00 C ATOM 183 O ARG A 15 4.823 -0.831 10.599 1.00 0.00 O ATOM 184 CB ARG A 15 2.472 0.767 11.134 1.00 0.00 C ATOM 185 CG ARG A 15 1.286 1.552 11.671 1.00 0.00 C ATOM 186 CD ARG A 15 0.084 1.448 10.746 1.00 0.00 C ATOM 187 NE ARG A 15 -1.167 1.741 11.440 1.00 0.00 N ATOM 188 CZ ARG A 15 -2.360 1.359 10.996 1.00 0.00 C ATOM 189 NH1 ARG A 15 -2.463 0.674 9.866 1.00 0.00 N ATOM 190 NH2 ARG A 15 -3.453 1.663 11.684 1.00 0.00 N ATOM 0 H ARG A 15 5.077 1.551 12.087 1.00 0.00 H new ATOM 0 HA ARG A 15 2.836 -0.086 13.072 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.028 1.396 10.438 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.104 -0.088 10.567 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.019 1.179 12.660 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.565 2.599 11.790 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.207 2.140 9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.038 0.444 10.323 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.123 2.267 12.313 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.625 0.438 9.334 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.380 0.382 9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.378 2.190 12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.368 1.370 11.343 1.00 0.00 H new ATOM 204 N PRO A 16 4.349 -1.968 12.486 1.00 0.00 N ATOM 205 CA PRO A 16 5.117 -3.160 12.117 1.00 0.00 C ATOM 206 C PRO A 16 4.472 -3.934 10.972 1.00 0.00 C ATOM 207 O PRO A 16 3.797 -4.938 11.191 1.00 0.00 O ATOM 208 CB PRO A 16 5.110 -3.998 13.399 1.00 0.00 C ATOM 209 CG PRO A 16 3.886 -3.563 14.128 1.00 0.00 C ATOM 210 CD PRO A 16 3.706 -2.106 13.803 1.00 0.00 C ATOM 0 HA PRO A 16 6.116 -2.907 11.762 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.080 -5.064 13.175 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.008 -3.822 13.992 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.018 -4.143 13.814 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.998 -3.712 15.202 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.652 -1.830 13.767 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.178 -1.467 14.549 1.00 0.00 H new ATOM 218 N GLY A 17 4.686 -3.458 9.748 1.00 0.00 N ATOM 219 CA GLY A 17 4.119 -4.118 8.587 1.00 0.00 C ATOM 220 C GLY A 17 3.952 -3.177 7.410 1.00 0.00 C ATOM 221 O GLY A 17 4.672 -3.282 6.417 1.00 0.00 O ATOM 0 H GLY A 17 5.241 -2.628 9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.761 -4.949 8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.150 -4.541 8.851 1.00 0.00 H new ATOM 225 N ILE A 18 3.000 -2.257 7.520 1.00 0.00 N ATOM 226 CA ILE A 18 2.741 -1.295 6.456 1.00 0.00 C ATOM 227 C ILE A 18 3.731 -0.137 6.509 1.00 0.00 C ATOM 228 O ILE A 18 4.112 0.321 7.588 1.00 0.00 O ATOM 229 CB ILE A 18 1.308 -0.736 6.539 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.310 -1.866 6.798 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.955 0.007 5.259 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.121 -1.392 6.920 1.00 0.00 C ATOM 0 H ILE A 18 2.395 -2.157 8.335 1.00 0.00 H new ATOM 0 HA ILE A 18 2.860 -1.828 5.513 1.00 0.00 H new ATOM 0 HB ILE A 18 1.255 -0.033 7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.376 -2.591 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.591 -2.386 7.714 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.060 0.396 5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.651 0.833 5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.021 -0.676 4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.773 -2.246 7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.202 -0.689 7.749 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.421 -0.898 5.996 1.00 0.00 H new ATOM 244 N THR A 19 4.144 0.336 5.338 1.00 0.00 N ATOM 245 CA THR A 19 5.090 1.442 5.250 1.00 0.00 C ATOM 246 C THR A 19 4.797 2.321 4.039 1.00 0.00 C ATOM 247 O THR A 19 5.029 1.921 2.899 1.00 0.00 O ATOM 248 CB THR A 19 6.541 0.935 5.163 1.00 0.00 C ATOM 249 OG1 THR A 19 6.975 0.469 6.446 1.00 0.00 O ATOM 250 CG2 THR A 19 7.471 2.036 4.677 1.00 0.00 C ATOM 0 H THR A 19 3.838 -0.030 4.436 1.00 0.00 H new ATOM 0 HA THR A 19 4.973 2.031 6.160 1.00 0.00 H new ATOM 0 HB THR A 19 6.573 0.113 4.448 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.219 0.477 7.070 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.490 1.654 4.624 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.156 2.368 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.434 2.876 5.371 1.00 0.00 H new ATOM 258 N PHE A 20 4.287 3.521 4.295 1.00 0.00 N ATOM 259 CA PHE A 20 3.962 4.457 3.225 1.00 0.00 C ATOM 260 C PHE A 20 5.230 4.975 2.552 1.00 0.00 C ATOM 261 O PHE A 20 5.921 5.840 3.090 1.00 0.00 O ATOM 262 CB PHE A 20 3.147 5.630 3.774 1.00 0.00 C ATOM 263 CG PHE A 20 2.048 5.211 4.708 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.248 4.118 4.411 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.814 5.908 5.882 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.235 3.731 5.268 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.803 5.526 6.743 1.00 0.00 C ATOM 268 CZ PHE A 20 0.013 4.435 6.436 1.00 0.00 C ATOM 0 H PHE A 20 4.090 3.868 5.234 1.00 0.00 H new ATOM 0 HA PHE A 20 3.367 3.927 2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.816 6.314 4.296 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.714 6.183 2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.418 3.563 3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.430 6.761 6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.383 2.879 5.025 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.631 6.079 7.654 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.777 4.133 7.108 1.00 0.00 H new ATOM 278 N GLU A 21 5.529 4.439 1.373 1.00 0.00 N ATOM 279 CA GLU A 21 6.714 4.846 0.628 1.00 0.00 C ATOM 280 C GLU A 21 6.467 4.762 -0.876 1.00 0.00 C ATOM 281 O GLU A 21 5.394 4.349 -1.317 1.00 0.00 O ATOM 282 CB GLU A 21 7.909 3.969 1.008 1.00 0.00 C ATOM 283 CG GLU A 21 7.856 2.574 0.410 1.00 0.00 C ATOM 284 CD GLU A 21 9.212 1.895 0.388 1.00 0.00 C ATOM 285 OE1 GLU A 21 9.921 1.954 1.414 1.00 0.00 O ATOM 286 OE2 GLU A 21 9.563 1.305 -0.655 1.00 0.00 O ATOM 0 H GLU A 21 4.967 3.722 0.914 1.00 0.00 H new ATOM 0 HA GLU A 21 6.935 5.882 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.827 4.460 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.958 3.888 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.158 1.964 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.467 2.633 -0.607 1.00 0.00 H new ATOM 293 N ILE A 22 7.466 5.158 -1.657 1.00 0.00 N ATOM 294 CA ILE A 22 7.358 5.128 -3.110 1.00 0.00 C ATOM 295 C ILE A 22 7.746 3.761 -3.662 1.00 0.00 C ATOM 296 O ILE A 22 8.911 3.369 -3.615 1.00 0.00 O ATOM 297 CB ILE A 22 8.245 6.204 -3.763 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.763 7.602 -3.370 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.245 6.043 -5.276 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.280 7.812 -3.583 1.00 0.00 C ATOM 0 H ILE A 22 8.360 5.504 -1.308 1.00 0.00 H new ATOM 0 HA ILE A 22 6.315 5.332 -3.353 1.00 0.00 H new ATOM 0 HB ILE A 22 9.266 6.079 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.999 7.777 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.314 8.343 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.876 6.811 -5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.631 5.058 -5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.227 6.145 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.009 8.824 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.040 7.669 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.721 7.094 -2.983 1.00 0.00 H new ATOM 312 N GLY A 23 6.760 3.038 -4.186 1.00 0.00 N ATOM 313 CA GLY A 23 7.019 1.723 -4.742 1.00 0.00 C ATOM 314 C GLY A 23 6.700 0.608 -3.765 1.00 0.00 C ATOM 315 O GLY A 23 6.880 -0.569 -4.076 1.00 0.00 O ATOM 0 H GLY A 23 5.787 3.340 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.425 1.591 -5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.066 1.656 -5.036 1.00 0.00 H new ATOM 319 N ALA A 24 6.227 0.980 -2.580 1.00 0.00 N ATOM 320 CA ALA A 24 5.882 0.002 -1.555 1.00 0.00 C ATOM 321 C ALA A 24 4.719 -0.877 -2.003 1.00 0.00 C ATOM 322 O ALA A 24 3.736 -0.386 -2.557 1.00 0.00 O ATOM 323 CB ALA A 24 5.543 0.705 -0.249 1.00 0.00 C ATOM 0 H ALA A 24 6.074 1.951 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 24 6.747 -0.641 -1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.287 -0.037 0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.403 1.284 0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.695 1.372 -0.404 1.00 0.00 H new ATOM 329 N ARG A 25 4.840 -2.178 -1.760 1.00 0.00 N ATOM 330 CA ARG A 25 3.799 -3.125 -2.141 1.00 0.00 C ATOM 331 C ARG A 25 2.953 -3.518 -0.933 1.00 0.00 C ATOM 332 O ARG A 25 3.448 -4.133 0.011 1.00 0.00 O ATOM 333 CB ARG A 25 4.421 -4.374 -2.769 1.00 0.00 C ATOM 334 CG ARG A 25 5.365 -4.070 -3.921 1.00 0.00 C ATOM 335 CD ARG A 25 5.932 -5.345 -4.527 1.00 0.00 C ATOM 336 NE ARG A 25 4.882 -6.221 -5.039 1.00 0.00 N ATOM 337 CZ ARG A 25 5.099 -7.186 -5.926 1.00 0.00 C ATOM 338 NH1 ARG A 25 6.320 -7.397 -6.397 1.00 0.00 N ATOM 339 NH2 ARG A 25 4.092 -7.943 -6.344 1.00 0.00 N ATOM 0 H ARG A 25 5.648 -2.600 -1.302 1.00 0.00 H new ATOM 0 HA ARG A 25 3.153 -2.641 -2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.964 -4.925 -2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.624 -5.026 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.835 -3.505 -4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.181 -3.439 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.617 -5.089 -5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.513 -5.877 -3.774 1.00 0.00 H new ATOM 0 HE ARG A 25 3.931 -6.085 -4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.097 -6.818 -6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.483 -8.139 -7.078 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.151 -7.784 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.259 -8.684 -7.025 1.00 0.00 H new ATOM 353 N LEU A 26 1.675 -3.157 -0.971 1.00 0.00 N ATOM 354 CA LEU A 26 0.759 -3.471 0.121 1.00 0.00 C ATOM 355 C LEU A 26 -0.615 -3.858 -0.416 1.00 0.00 C ATOM 356 O LEU A 26 -0.816 -3.949 -1.627 1.00 0.00 O ATOM 357 CB LEU A 26 0.632 -2.275 1.066 1.00 0.00 C ATOM 358 CG LEU A 26 0.571 -0.899 0.402 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.877 -0.593 -0.314 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.601 -0.825 -0.566 1.00 0.00 C ATOM 0 H LEU A 26 1.250 -2.647 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 26 1.166 -4.319 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.268 -2.406 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.479 -2.288 1.752 1.00 0.00 H new ATOM 0 HG LEU A 26 0.422 -0.149 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.815 0.390 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.697 -0.602 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.057 -1.347 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.629 0.161 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.484 -1.585 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.531 -0.998 -0.025 1.00 0.00 H new ATOM 372 N GLU A 27 -1.558 -4.083 0.494 1.00 0.00 N ATOM 373 CA GLU A 27 -2.914 -4.459 0.111 1.00 0.00 C ATOM 374 C GLU A 27 -3.890 -3.314 0.370 1.00 0.00 C ATOM 375 O GLU A 27 -3.874 -2.702 1.438 1.00 0.00 O ATOM 376 CB GLU A 27 -3.358 -5.706 0.878 1.00 0.00 C ATOM 377 CG GLU A 27 -2.591 -6.961 0.496 1.00 0.00 C ATOM 378 CD GLU A 27 -2.861 -8.119 1.437 1.00 0.00 C ATOM 379 OE1 GLU A 27 -2.412 -8.054 2.600 1.00 0.00 O ATOM 380 OE2 GLU A 27 -3.521 -9.089 1.010 1.00 0.00 O ATOM 0 H GLU A 27 -1.408 -4.012 1.500 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.914 -4.679 -0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.237 -5.527 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.421 -5.872 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.861 -7.252 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.523 -6.743 0.492 1.00 0.00 H new ATOM 387 N ALA A 28 -4.737 -3.032 -0.614 1.00 0.00 N ATOM 388 CA ALA A 28 -5.720 -1.963 -0.492 1.00 0.00 C ATOM 389 C ALA A 28 -7.139 -2.520 -0.492 1.00 0.00 C ATOM 390 O ALA A 28 -7.444 -3.472 -1.212 1.00 0.00 O ATOM 391 CB ALA A 28 -5.547 -0.956 -1.620 1.00 0.00 C ATOM 0 H ALA A 28 -4.762 -3.529 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.555 -1.458 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.288 -0.163 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.546 -0.526 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.683 -1.457 -2.579 1.00 0.00 H new ATOM 397 N LEU A 29 -8.004 -1.923 0.321 1.00 0.00 N ATOM 398 CA LEU A 29 -9.392 -2.360 0.416 1.00 0.00 C ATOM 399 C LEU A 29 -10.262 -1.639 -0.608 1.00 0.00 C ATOM 400 O LEU A 29 -10.335 -0.410 -0.620 1.00 0.00 O ATOM 401 CB LEU A 29 -9.931 -2.110 1.826 1.00 0.00 C ATOM 402 CG LEU A 29 -11.244 -2.810 2.177 1.00 0.00 C ATOM 403 CD1 LEU A 29 -10.999 -4.277 2.494 1.00 0.00 C ATOM 404 CD2 LEU A 29 -11.923 -2.116 3.349 1.00 0.00 C ATOM 0 H LEU A 29 -7.768 -1.135 0.924 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.425 -3.429 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.173 -2.423 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.069 -1.037 1.955 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.906 -2.751 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.945 -4.759 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.558 -4.768 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.318 -4.357 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.856 -2.628 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.265 -2.142 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.135 -1.080 3.085 1.00 0.00 H new ATOM 416 N ASP A 30 -10.921 -2.410 -1.465 1.00 0.00 N ATOM 417 CA ASP A 30 -11.789 -1.845 -2.492 1.00 0.00 C ATOM 418 C ASP A 30 -13.199 -1.628 -1.952 1.00 0.00 C ATOM 419 O ASP A 30 -13.574 -2.189 -0.922 1.00 0.00 O ATOM 420 CB ASP A 30 -11.834 -2.763 -3.714 1.00 0.00 C ATOM 421 CG ASP A 30 -12.629 -4.029 -3.459 1.00 0.00 C ATOM 422 OD1 ASP A 30 -13.240 -4.137 -2.376 1.00 0.00 O ATOM 423 OD2 ASP A 30 -12.639 -4.910 -4.343 1.00 0.00 O ATOM 0 H ASP A 30 -10.871 -3.429 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.379 -0.879 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.274 -2.224 -4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.817 -3.028 -4.003 1.00 0.00 H new ATOM 428 N TYR A 31 -13.976 -0.810 -2.653 1.00 0.00 N ATOM 429 CA TYR A 31 -15.344 -0.515 -2.242 1.00 0.00 C ATOM 430 C TYR A 31 -16.092 -1.795 -1.881 1.00 0.00 C ATOM 431 O TYR A 31 -17.089 -1.763 -1.159 1.00 0.00 O ATOM 432 CB TYR A 31 -16.085 0.225 -3.356 1.00 0.00 C ATOM 433 CG TYR A 31 -16.320 -0.617 -4.590 1.00 0.00 C ATOM 434 CD1 TYR A 31 -15.329 -0.767 -5.552 1.00 0.00 C ATOM 435 CD2 TYR A 31 -17.534 -1.262 -4.794 1.00 0.00 C ATOM 436 CE1 TYR A 31 -15.539 -1.535 -6.681 1.00 0.00 C ATOM 437 CE2 TYR A 31 -17.752 -2.033 -5.919 1.00 0.00 C ATOM 438 CZ TYR A 31 -16.752 -2.166 -6.860 1.00 0.00 C ATOM 439 OH TYR A 31 -16.967 -2.932 -7.983 1.00 0.00 O ATOM 0 H TYR A 31 -13.682 -0.339 -3.509 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.302 0.121 -1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.045 0.571 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.514 1.111 -3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.378 -0.275 -5.415 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -18.320 -1.159 -4.061 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -14.758 -1.641 -7.419 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -18.701 -2.529 -6.061 1.00 0.00 H new ATOM 0 HH TYR A 31 -17.872 -3.307 -7.955 1.00 0.00 H new ATOM 449 N LEU A 32 -15.602 -2.921 -2.387 1.00 0.00 N ATOM 450 CA LEU A 32 -16.222 -4.214 -2.119 1.00 0.00 C ATOM 451 C LEU A 32 -15.655 -4.836 -0.847 1.00 0.00 C ATOM 452 O LEU A 32 -15.734 -6.048 -0.650 1.00 0.00 O ATOM 453 CB LEU A 32 -16.009 -5.160 -3.302 1.00 0.00 C ATOM 454 CG LEU A 32 -16.740 -4.795 -4.594 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.229 -5.636 -5.753 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.242 -4.972 -4.425 1.00 0.00 C ATOM 0 H LEU A 32 -14.777 -2.965 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.291 -4.054 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.941 -5.209 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.321 -6.160 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.541 -3.747 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.761 -5.362 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.162 -5.459 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.397 -6.691 -5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.746 -4.708 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -18.460 -6.011 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.597 -4.325 -3.623 1.00 0.00 H new ATOM 468 N GLN A 33 -15.087 -3.997 0.014 1.00 0.00 N ATOM 469 CA GLN A 33 -14.509 -4.466 1.267 1.00 0.00 C ATOM 470 C GLN A 33 -13.601 -5.669 1.033 1.00 0.00 C ATOM 471 O GLN A 33 -13.393 -6.487 1.929 1.00 0.00 O ATOM 472 CB GLN A 33 -15.615 -4.831 2.259 1.00 0.00 C ATOM 473 CG GLN A 33 -16.369 -3.628 2.800 1.00 0.00 C ATOM 474 CD GLN A 33 -16.967 -3.881 4.170 1.00 0.00 C ATOM 475 OE1 GLN A 33 -16.681 -4.896 4.806 1.00 0.00 O ATOM 476 NE2 GLN A 33 -17.801 -2.957 4.632 1.00 0.00 N ATOM 0 H GLN A 33 -15.015 -2.990 -0.134 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.909 -3.658 1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.322 -5.503 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.177 -5.380 3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.693 -2.775 2.855 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.164 -3.360 2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.009 -2.131 4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.233 -3.073 5.549 1.00 0.00 H new ATOM 485 N LYS A 34 -13.064 -5.771 -0.178 1.00 0.00 N ATOM 486 CA LYS A 34 -12.178 -6.874 -0.532 1.00 0.00 C ATOM 487 C LYS A 34 -10.717 -6.446 -0.451 1.00 0.00 C ATOM 488 O LYS A 34 -10.402 -5.260 -0.549 1.00 0.00 O ATOM 489 CB LYS A 34 -12.495 -7.378 -1.942 1.00 0.00 C ATOM 490 CG LYS A 34 -13.811 -8.131 -2.037 1.00 0.00 C ATOM 491 CD LYS A 34 -13.619 -9.620 -1.799 1.00 0.00 C ATOM 492 CE LYS A 34 -14.859 -10.411 -2.185 1.00 0.00 C ATOM 493 NZ LYS A 34 -14.690 -11.868 -1.929 1.00 0.00 N ATOM 0 H LYS A 34 -13.227 -5.103 -0.931 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.342 -7.682 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.522 -6.529 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.688 -8.030 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.513 -7.732 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.252 -7.973 -3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.766 -9.975 -2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.387 -9.795 -0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.716 -10.040 -1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.078 -10.251 -3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.557 -12.372 -2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.888 -12.228 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.507 -12.024 -0.917 1.00 0.00 H new ATOM 507 N TRP A 35 -9.830 -7.417 -0.271 1.00 0.00 N ATOM 508 CA TRP A 35 -8.401 -7.139 -0.178 1.00 0.00 C ATOM 509 C TRP A 35 -7.683 -7.545 -1.461 1.00 0.00 C ATOM 510 O TRP A 35 -7.950 -8.607 -2.023 1.00 0.00 O ATOM 511 CB TRP A 35 -7.794 -7.877 1.016 1.00 0.00 C ATOM 512 CG TRP A 35 -8.348 -7.430 2.335 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.130 -8.158 3.185 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.164 -6.151 2.952 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.443 -7.410 4.294 1.00 0.00 N ATOM 516 CE2 TRP A 35 -8.861 -6.175 4.176 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.476 -4.989 2.592 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -8.890 -5.082 5.037 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.506 -3.905 3.448 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.208 -3.957 4.659 1.00 0.00 C ATOM 0 H TRP A 35 -10.074 -8.404 -0.186 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.273 -6.066 -0.036 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.969 -8.947 0.900 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.714 -7.729 1.015 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.455 -9.173 3.011 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.016 -7.723 5.078 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.931 -4.939 1.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.432 -5.120 5.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.979 -3.002 3.179 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.211 -3.093 5.307 1.00 0.00 H new ATOM 531 N TYR A 36 -6.770 -6.695 -1.917 1.00 0.00 N ATOM 532 CA TYR A 36 -6.015 -6.964 -3.135 1.00 0.00 C ATOM 533 C TYR A 36 -4.655 -6.275 -3.097 1.00 0.00 C ATOM 534 O TYR A 36 -4.450 -5.288 -2.390 1.00 0.00 O ATOM 535 CB TYR A 36 -6.802 -6.498 -4.361 1.00 0.00 C ATOM 536 CG TYR A 36 -7.950 -7.412 -4.727 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.739 -8.555 -5.488 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.246 -7.131 -4.312 1.00 0.00 C ATOM 539 CE1 TYR A 36 -8.785 -9.391 -5.825 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.298 -7.963 -4.643 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.063 -9.091 -5.400 1.00 0.00 C ATOM 542 OH TYR A 36 -11.107 -9.923 -5.733 1.00 0.00 O ATOM 0 H TYR A 36 -6.535 -5.813 -1.461 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.854 -8.040 -3.202 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.191 -5.497 -4.174 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.124 -6.423 -5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.740 -8.794 -5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.434 -6.247 -3.721 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.604 -10.275 -6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.299 -7.731 -4.311 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.940 -9.570 -5.355 1.00 0.00 H new ATOM 552 N PRO A 37 -3.702 -6.806 -3.876 1.00 0.00 N ATOM 553 CA PRO A 37 -2.344 -6.257 -3.951 1.00 0.00 C ATOM 554 C PRO A 37 -2.303 -4.905 -4.654 1.00 0.00 C ATOM 555 O PRO A 37 -3.032 -4.674 -5.619 1.00 0.00 O ATOM 556 CB PRO A 37 -1.582 -7.306 -4.765 1.00 0.00 C ATOM 557 CG PRO A 37 -2.627 -7.983 -5.584 1.00 0.00 C ATOM 558 CD PRO A 37 -3.875 -7.982 -4.745 1.00 0.00 C ATOM 0 HA PRO A 37 -1.923 -6.076 -2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.823 -6.843 -5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.068 -8.014 -4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.788 -7.456 -6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.327 -9.000 -5.836 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.772 -7.899 -5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.970 -8.900 -4.165 1.00 0.00 H new ATOM 566 N SER A 38 -1.446 -4.015 -4.165 1.00 0.00 N ATOM 567 CA SER A 38 -1.312 -2.683 -4.745 1.00 0.00 C ATOM 568 C SER A 38 0.073 -2.107 -4.469 1.00 0.00 C ATOM 569 O SER A 38 0.870 -2.700 -3.742 1.00 0.00 O ATOM 570 CB SER A 38 -2.387 -1.750 -4.184 1.00 0.00 C ATOM 571 OG SER A 38 -3.675 -2.122 -4.642 1.00 0.00 O ATOM 0 H SER A 38 -0.834 -4.192 -3.369 1.00 0.00 H new ATOM 0 HA SER A 38 -1.442 -2.768 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.363 -1.777 -3.095 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.174 -0.724 -4.483 1.00 0.00 H new ATOM 0 HG SER A 38 -3.612 -2.954 -5.157 1.00 0.00 H new ATOM 577 N ARG A 39 0.351 -0.947 -5.054 1.00 0.00 N ATOM 578 CA ARG A 39 1.640 -0.290 -4.873 1.00 0.00 C ATOM 579 C ARG A 39 1.468 1.222 -4.757 1.00 0.00 C ATOM 580 O ARG A 39 0.417 1.765 -5.098 1.00 0.00 O ATOM 581 CB ARG A 39 2.573 -0.619 -6.040 1.00 0.00 C ATOM 582 CG ARG A 39 3.439 -1.845 -5.800 1.00 0.00 C ATOM 583 CD ARG A 39 4.450 -2.041 -6.919 1.00 0.00 C ATOM 584 NE ARG A 39 5.586 -1.132 -6.795 1.00 0.00 N ATOM 585 CZ ARG A 39 6.423 -0.862 -7.790 1.00 0.00 C ATOM 586 NH1 ARG A 39 6.252 -1.429 -8.977 1.00 0.00 N ATOM 587 NH2 ARG A 39 7.434 -0.024 -7.600 1.00 0.00 N ATOM 0 H ARG A 39 -0.299 -0.443 -5.657 1.00 0.00 H new ATOM 0 HA ARG A 39 2.081 -0.661 -3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.976 -0.776 -6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.218 0.239 -6.232 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.962 -1.742 -4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.806 -2.729 -5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.807 -3.071 -6.909 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.962 -1.882 -7.881 1.00 0.00 H new ATOM 0 HE ARG A 39 5.745 -0.680 -5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.476 -2.074 -9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.896 -1.220 -9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.569 0.414 -6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.076 0.182 -8.365 1.00 0.00 H new ATOM 601 N ILE A 40 2.507 1.895 -4.273 1.00 0.00 N ATOM 602 CA ILE A 40 2.470 3.343 -4.112 1.00 0.00 C ATOM 603 C ILE A 40 3.252 4.039 -5.221 1.00 0.00 C ATOM 604 O ILE A 40 4.482 4.007 -5.240 1.00 0.00 O ATOM 605 CB ILE A 40 3.042 3.773 -2.749 1.00 0.00 C ATOM 606 CG1 ILE A 40 2.084 3.381 -1.622 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.302 5.272 -2.732 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.697 3.486 -0.244 1.00 0.00 C ATOM 0 H ILE A 40 3.384 1.461 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 40 1.423 3.640 -4.167 1.00 0.00 H new ATOM 0 HB ILE A 40 3.989 3.258 -2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.202 4.019 -1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.746 2.357 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.706 5.560 -1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.018 5.526 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.368 5.805 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.961 3.193 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.563 2.827 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.010 4.514 -0.062 1.00 0.00 H new ATOM 620 N GLU A 41 2.529 4.669 -6.143 1.00 0.00 N ATOM 621 CA GLU A 41 3.156 5.374 -7.254 1.00 0.00 C ATOM 622 C GLU A 41 3.696 6.728 -6.805 1.00 0.00 C ATOM 623 O GLU A 41 4.837 7.084 -7.099 1.00 0.00 O ATOM 624 CB GLU A 41 2.155 5.564 -8.396 1.00 0.00 C ATOM 625 CG GLU A 41 1.864 4.289 -9.169 1.00 0.00 C ATOM 626 CD GLU A 41 1.524 4.554 -10.623 1.00 0.00 C ATOM 627 OE1 GLU A 41 0.666 5.424 -10.883 1.00 0.00 O ATOM 628 OE2 GLU A 41 2.116 3.892 -11.502 1.00 0.00 O ATOM 0 H GLU A 41 1.510 4.705 -6.142 1.00 0.00 H new ATOM 0 HA GLU A 41 3.991 4.770 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.222 5.953 -7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.540 6.316 -9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.731 3.631 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.035 3.763 -8.696 1.00 0.00 H new ATOM 635 N LYS A 42 2.866 7.481 -6.091 1.00 0.00 N ATOM 636 CA LYS A 42 3.258 8.797 -5.599 1.00 0.00 C ATOM 637 C LYS A 42 2.691 9.047 -4.205 1.00 0.00 C ATOM 638 O LYS A 42 1.856 8.285 -3.718 1.00 0.00 O ATOM 639 CB LYS A 42 2.777 9.887 -6.559 1.00 0.00 C ATOM 640 CG LYS A 42 3.582 9.963 -7.845 1.00 0.00 C ATOM 641 CD LYS A 42 2.782 10.601 -8.968 1.00 0.00 C ATOM 642 CE LYS A 42 3.434 10.366 -10.321 1.00 0.00 C ATOM 643 NZ LYS A 42 2.678 11.022 -11.423 1.00 0.00 N ATOM 0 H LYS A 42 1.917 7.203 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 42 4.346 8.827 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.731 9.707 -6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.824 10.851 -6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.491 10.539 -7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.891 8.961 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.772 10.192 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.691 11.672 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.455 10.748 -10.303 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.498 9.295 -10.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.155 10.838 -12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.712 10.639 -11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.639 12.048 -11.255 1.00 0.00 H new ATOM 657 N ILE A 43 3.149 10.120 -3.569 1.00 0.00 N ATOM 658 CA ILE A 43 2.686 10.471 -2.232 1.00 0.00 C ATOM 659 C ILE A 43 2.614 11.984 -2.055 1.00 0.00 C ATOM 660 O ILE A 43 3.515 12.712 -2.472 1.00 0.00 O ATOM 661 CB ILE A 43 3.604 9.882 -1.145 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.667 8.358 -1.271 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.113 10.285 0.238 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.679 7.717 -0.348 1.00 0.00 C ATOM 0 H ILE A 43 3.840 10.761 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 43 1.688 10.046 -2.122 1.00 0.00 H new ATOM 0 HB ILE A 43 4.609 10.281 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.681 7.943 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.910 8.096 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.772 9.861 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.115 11.372 0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.100 9.911 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.669 6.637 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.673 8.104 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.425 7.948 0.687 1.00 0.00 H new ATOM 676 N ASP A 44 1.537 12.451 -1.433 1.00 0.00 N ATOM 677 CA ASP A 44 1.348 13.877 -1.197 1.00 0.00 C ATOM 678 C ASP A 44 1.331 14.184 0.297 1.00 0.00 C ATOM 679 O ASP A 44 0.348 13.912 0.986 1.00 0.00 O ATOM 680 CB ASP A 44 0.046 14.354 -1.843 1.00 0.00 C ATOM 681 CG ASP A 44 0.083 15.827 -2.202 1.00 0.00 C ATOM 682 OD1 ASP A 44 0.583 16.625 -1.381 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.387 16.181 -3.303 1.00 0.00 O ATOM 0 H ASP A 44 0.781 11.862 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 44 2.185 14.409 -1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.146 13.769 -2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.784 14.170 -1.160 1.00 0.00 H new ATOM 688 N TYR A 45 2.426 14.751 0.791 1.00 0.00 N ATOM 689 CA TYR A 45 2.539 15.091 2.204 1.00 0.00 C ATOM 690 C TYR A 45 1.846 16.417 2.503 1.00 0.00 C ATOM 691 O TYR A 45 1.431 16.672 3.633 1.00 0.00 O ATOM 692 CB TYR A 45 4.010 15.168 2.616 1.00 0.00 C ATOM 693 CG TYR A 45 4.681 13.817 2.721 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.966 13.071 1.584 1.00 0.00 C ATOM 695 CD2 TYR A 45 5.032 13.288 3.957 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.578 11.836 1.675 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.646 12.054 4.058 1.00 0.00 C ATOM 698 CZ TYR A 45 5.916 11.332 2.914 1.00 0.00 C ATOM 699 OH TYR A 45 6.527 10.103 3.009 1.00 0.00 O ATOM 0 H TYR A 45 3.248 14.985 0.234 1.00 0.00 H new ATOM 0 HA TYR A 45 2.048 14.307 2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.550 15.777 1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.083 15.676 3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.705 13.463 0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.821 13.851 4.854 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.791 11.268 0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.913 11.657 5.026 1.00 0.00 H new ATOM 0 HH TYR A 45 6.699 9.895 3.951 1.00 0.00 H new ATOM 709 N GLU A 46 1.724 17.257 1.479 1.00 0.00 N ATOM 710 CA GLU A 46 1.081 18.557 1.631 1.00 0.00 C ATOM 711 C GLU A 46 -0.429 18.402 1.787 1.00 0.00 C ATOM 712 O GLU A 46 -1.079 19.202 2.460 1.00 0.00 O ATOM 713 CB GLU A 46 1.392 19.448 0.427 1.00 0.00 C ATOM 714 CG GLU A 46 1.385 20.933 0.751 1.00 0.00 C ATOM 715 CD GLU A 46 2.610 21.365 1.532 1.00 0.00 C ATOM 716 OE1 GLU A 46 3.173 20.525 2.265 1.00 0.00 O ATOM 717 OE2 GLU A 46 3.006 22.543 1.411 1.00 0.00 O ATOM 0 H GLU A 46 2.062 17.060 0.537 1.00 0.00 H new ATOM 0 HA GLU A 46 1.475 19.026 2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.369 19.176 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.661 19.252 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.330 21.503 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.490 21.172 1.325 1.00 0.00 H new ATOM 724 N GLU A 47 -0.980 17.368 1.159 1.00 0.00 N ATOM 725 CA GLU A 47 -2.414 17.110 1.226 1.00 0.00 C ATOM 726 C GLU A 47 -2.707 15.895 2.102 1.00 0.00 C ATOM 727 O GLU A 47 -3.659 15.892 2.881 1.00 0.00 O ATOM 728 CB GLU A 47 -2.981 16.890 -0.178 1.00 0.00 C ATOM 729 CG GLU A 47 -3.038 18.155 -1.017 1.00 0.00 C ATOM 730 CD GLU A 47 -4.095 19.129 -0.534 1.00 0.00 C ATOM 731 OE1 GLU A 47 -5.274 18.958 -0.910 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.744 20.061 0.219 1.00 0.00 O ATOM 0 H GLU A 47 -0.456 16.696 0.599 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.894 17.981 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.371 16.149 -0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.985 16.474 -0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.064 18.643 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.241 17.889 -2.054 1.00 0.00 H new ATOM 739 N GLY A 48 -1.881 14.862 1.966 1.00 0.00 N ATOM 740 CA GLY A 48 -2.068 13.655 2.750 1.00 0.00 C ATOM 741 C GLY A 48 -2.661 12.521 1.936 1.00 0.00 C ATOM 742 O GLY A 48 -3.303 11.625 2.482 1.00 0.00 O ATOM 0 H GLY A 48 -1.086 14.839 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.109 13.340 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.721 13.872 3.595 1.00 0.00 H new ATOM 746 N LYS A 49 -2.447 12.561 0.625 1.00 0.00 N ATOM 747 CA LYS A 49 -2.965 11.531 -0.267 1.00 0.00 C ATOM 748 C LYS A 49 -1.842 10.907 -1.088 1.00 0.00 C ATOM 749 O LYS A 49 -0.905 11.593 -1.497 1.00 0.00 O ATOM 750 CB LYS A 49 -4.026 12.120 -1.199 1.00 0.00 C ATOM 751 CG LYS A 49 -3.558 13.355 -1.949 1.00 0.00 C ATOM 752 CD LYS A 49 -4.272 13.502 -3.283 1.00 0.00 C ATOM 753 CE LYS A 49 -3.444 14.306 -4.273 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.205 14.604 -5.518 1.00 0.00 N ATOM 0 H LYS A 49 -1.918 13.297 0.157 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.420 10.752 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.327 11.360 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.911 12.373 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.737 14.241 -1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.483 13.295 -2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.479 12.515 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.234 13.991 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.128 15.240 -3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.539 13.752 -4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.607 15.153 -6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.485 13.713 -5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.055 15.154 -5.282 1.00 0.00 H new ATOM 768 N MET A 50 -1.943 9.604 -1.328 1.00 0.00 N ATOM 769 CA MET A 50 -0.936 8.889 -2.104 1.00 0.00 C ATOM 770 C MET A 50 -1.569 8.187 -3.301 1.00 0.00 C ATOM 771 O MET A 50 -2.681 7.665 -3.210 1.00 0.00 O ATOM 772 CB MET A 50 -0.213 7.869 -1.223 1.00 0.00 C ATOM 773 CG MET A 50 -1.068 7.331 -0.087 1.00 0.00 C ATOM 774 SD MET A 50 -0.333 5.894 0.716 1.00 0.00 S ATOM 775 CE MET A 50 -1.635 4.683 0.502 1.00 0.00 C ATOM 0 H MET A 50 -2.712 9.021 -0.996 1.00 0.00 H new ATOM 0 HA MET A 50 -0.213 9.617 -2.473 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.118 7.036 -1.843 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.682 8.331 -0.806 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.219 8.117 0.652 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.051 7.063 -0.473 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.289 3.711 0.852 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.511 4.985 1.077 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.899 4.616 -0.553 1.00 0.00 H new ATOM 785 N LEU A 51 -0.855 8.179 -4.421 1.00 0.00 N ATOM 786 CA LEU A 51 -1.348 7.540 -5.637 1.00 0.00 C ATOM 787 C LEU A 51 -1.072 6.040 -5.615 1.00 0.00 C ATOM 788 O LEU A 51 0.035 5.597 -5.921 1.00 0.00 O ATOM 789 CB LEU A 51 -0.695 8.172 -6.868 1.00 0.00 C ATOM 790 CG LEU A 51 -1.477 8.054 -8.177 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.578 8.357 -9.365 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.089 6.667 -8.309 1.00 0.00 C ATOM 0 H LEU A 51 0.066 8.607 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.426 7.691 -5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.526 9.229 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.284 7.715 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.285 8.786 -8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.152 8.268 -10.287 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.188 9.371 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.251 7.650 -9.384 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.642 6.601 -9.246 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.297 5.918 -8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.767 6.487 -7.475 1.00 0.00 H new ATOM 804 N VAL A 52 -2.087 5.263 -5.252 1.00 0.00 N ATOM 805 CA VAL A 52 -1.955 3.812 -5.193 1.00 0.00 C ATOM 806 C VAL A 52 -2.527 3.157 -6.446 1.00 0.00 C ATOM 807 O VAL A 52 -3.570 3.569 -6.954 1.00 0.00 O ATOM 808 CB VAL A 52 -2.666 3.233 -3.955 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.140 3.610 -3.961 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.493 1.723 -3.899 1.00 0.00 C ATOM 0 H VAL A 52 -3.010 5.614 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.889 3.594 -5.126 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.210 3.661 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.626 3.192 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.238 4.696 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.614 3.213 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.002 1.331 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.921 1.274 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.432 1.480 -3.843 1.00 0.00 H new ATOM 820 N HIS A 53 -1.836 2.134 -6.939 1.00 0.00 N ATOM 821 CA HIS A 53 -2.276 1.420 -8.133 1.00 0.00 C ATOM 822 C HIS A 53 -2.924 0.089 -7.763 1.00 0.00 C ATOM 823 O HIS A 53 -2.489 -0.587 -6.830 1.00 0.00 O ATOM 824 CB HIS A 53 -1.094 1.181 -9.074 1.00 0.00 C ATOM 825 CG HIS A 53 -1.244 -0.044 -9.924 1.00 0.00 C ATOM 826 ND1 HIS A 53 -2.187 -0.155 -10.923 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.562 -1.213 -9.920 1.00 0.00 C ATOM 828 CE1 HIS A 53 -2.080 -1.341 -11.496 1.00 0.00 C ATOM 829 NE2 HIS A 53 -1.100 -2.002 -10.906 1.00 0.00 N ATOM 0 H HIS A 53 -0.970 1.781 -6.531 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.018 2.036 -8.642 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.974 2.050 -9.721 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.182 1.094 -8.484 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.254 -1.476 -9.263 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.690 -1.708 -12.308 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.793 -2.945 -11.144 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.516 4.904 -8.328 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.302 5.963 -7.704 1.00 0.00 C ATOM 1007 C GLU A 63 -5.656 6.424 -6.401 1.00 0.00 C ATOM 1008 O GLU A 63 -5.074 5.624 -5.668 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.729 5.479 -7.436 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.648 6.563 -6.899 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.359 7.323 -8.002 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -8.694 8.114 -8.702 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.582 7.126 -8.165 1.00 0.00 O ATOM 0 HA GLU A 63 -6.336 6.808 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.149 5.083 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.697 4.656 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.388 6.112 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.067 7.262 -6.297 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.763 7.717 -6.120 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.189 8.286 -4.906 1.00 0.00 C ATOM 1022 C TRP A 64 -6.012 7.900 -3.682 1.00 0.00 C ATOM 1023 O TRP A 64 -7.228 8.094 -3.654 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.106 9.809 -5.021 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.119 10.274 -6.047 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.324 10.377 -7.394 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.772 10.698 -5.811 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.185 10.840 -8.009 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.219 11.044 -7.059 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -1.980 10.820 -4.666 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -0.911 11.503 -7.192 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.682 11.275 -4.800 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.158 11.612 -6.055 1.00 0.00 C ATOM 0 H TRP A 64 -6.242 8.392 -6.716 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.183 7.883 -4.786 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.092 10.202 -5.271 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.834 10.225 -4.051 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.245 10.131 -7.901 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.077 11.005 -9.010 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.375 10.563 -3.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.505 11.764 -8.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.061 11.373 -3.922 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.860 11.965 -6.126 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.343 7.353 -2.673 1.00 0.00 N ATOM 1045 CA ILE A 65 -6.015 6.941 -1.446 1.00 0.00 C ATOM 1046 C ILE A 65 -5.315 7.514 -0.218 1.00 0.00 C ATOM 1047 O ILE A 65 -4.158 7.195 0.055 1.00 0.00 O ATOM 1048 CB ILE A 65 -6.071 5.407 -1.322 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.796 4.803 -2.526 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.758 5.005 -0.026 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -7.009 3.309 -2.416 1.00 0.00 C ATOM 0 H ILE A 65 -4.337 7.185 -2.680 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.032 7.330 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.052 5.021 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.763 5.292 -2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.223 5.015 -3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.790 3.918 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.203 5.409 0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.774 5.399 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.528 2.949 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.044 2.809 -2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.608 3.091 -1.532 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.026 8.360 0.520 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.473 8.978 1.720 1.00 0.00 C ATOM 1065 C TYR A 66 -4.710 7.956 2.557 1.00 0.00 C ATOM 1066 O TYR A 66 -5.274 6.957 3.004 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.589 9.606 2.555 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.183 10.851 1.934 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.369 11.827 1.374 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.558 11.050 1.908 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -6.907 12.966 0.806 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.104 12.185 1.341 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.275 13.140 0.791 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.815 14.272 0.227 1.00 0.00 O ATOM 0 H TYR A 66 -6.986 8.633 0.309 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.778 9.758 1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.380 8.870 2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.198 9.854 3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.297 11.693 1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.211 10.305 2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.260 13.716 0.376 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.175 12.324 1.328 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.792 14.239 0.298 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.424 8.213 2.765 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.582 7.317 3.549 1.00 0.00 C ATOM 1086 C TRP A 67 -3.086 7.213 4.984 1.00 0.00 C ATOM 1087 O TRP A 67 -2.597 6.397 5.766 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.133 7.806 3.539 1.00 0.00 C ATOM 1089 CG TRP A 67 -0.988 9.243 3.939 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -1.996 10.125 4.206 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.236 9.964 4.116 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.472 11.351 4.538 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.105 11.278 4.491 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.587 9.627 3.996 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.856 12.253 4.745 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.540 10.596 4.248 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.172 11.896 4.620 1.00 0.00 C ATOM 0 H TRP A 67 -2.941 9.035 2.402 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.627 6.327 3.095 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.544 7.187 4.215 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.718 7.671 2.540 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.050 9.893 4.163 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.013 12.181 4.780 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.881 8.628 3.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.573 13.255 5.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.587 10.347 4.157 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.941 12.630 4.812 1.00 0.00 H new ATOM 1108 N ASP A 68 -4.066 8.043 5.324 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.637 8.043 6.666 1.00 0.00 C ATOM 1110 C ASP A 68 -6.041 7.446 6.659 1.00 0.00 C ATOM 1111 O ASP A 68 -6.847 7.719 7.548 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.678 9.466 7.226 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.377 9.540 8.569 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -5.135 8.652 9.413 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.164 10.486 8.776 1.00 0.00 O ATOM 0 H ASP A 68 -4.482 8.724 4.689 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.003 7.428 7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.660 9.842 7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.189 10.118 6.517 1.00 0.00 H new ATOM 1120 N SER A 69 -6.326 6.630 5.649 1.00 0.00 N ATOM 1121 CA SER A 69 -7.634 5.998 5.523 1.00 0.00 C ATOM 1122 C SER A 69 -7.720 4.750 6.397 1.00 0.00 C ATOM 1123 O SER A 69 -8.790 4.400 6.893 1.00 0.00 O ATOM 1124 CB SER A 69 -7.909 5.632 4.063 1.00 0.00 C ATOM 1125 OG SER A 69 -9.300 5.620 3.794 1.00 0.00 O ATOM 0 H SER A 69 -5.669 6.391 4.906 1.00 0.00 H new ATOM 0 HA SER A 69 -8.388 6.709 5.860 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.414 6.348 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.485 4.652 3.844 1.00 0.00 H new ATOM 0 HG SER A 69 -9.449 5.753 2.834 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.585 4.084 6.580 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.531 2.874 7.393 1.00 0.00 C ATOM 1133 C ASN A 70 -7.247 1.719 6.698 1.00 0.00 C ATOM 1134 O ASN A 70 -7.799 0.835 7.352 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.160 3.128 8.764 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.658 4.409 9.403 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -7.383 5.400 9.487 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.410 4.393 9.856 1.00 0.00 N ATOM 0 H ASN A 70 -5.690 4.361 6.177 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.484 2.601 7.526 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.244 3.178 8.660 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.942 2.287 9.422 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.016 5.225 10.295 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.845 3.549 9.765 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.233 1.735 5.369 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.880 0.690 4.586 1.00 0.00 C ATOM 1147 C ARG A 71 -6.847 -0.154 3.846 1.00 0.00 C ATOM 1148 O ARG A 71 -7.168 -0.830 2.867 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.861 1.306 3.587 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.893 2.219 4.230 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.634 3.043 3.188 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.656 3.895 3.790 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.703 4.368 3.125 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.867 4.074 1.843 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.591 5.138 3.742 1.00 0.00 N ATOM 0 H ARG A 71 -6.781 2.460 4.812 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.428 0.043 5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.301 1.872 2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.377 0.506 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.606 1.621 4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.400 2.885 4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.922 3.662 2.642 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.099 2.376 2.462 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.560 4.140 4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.188 3.483 1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.673 4.439 1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.469 5.367 4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.395 5.501 3.230 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.607 -0.110 4.319 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.525 -0.871 3.703 1.00 0.00 C ATOM 1171 C LEU A 72 -3.936 -1.876 4.687 1.00 0.00 C ATOM 1172 O LEU A 72 -4.042 -1.705 5.902 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.431 0.074 3.204 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.910 1.373 2.555 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.898 2.486 2.778 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.158 1.165 1.067 1.00 0.00 C ATOM 0 H LEU A 72 -5.325 0.445 5.127 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.937 -1.420 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.787 0.328 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.816 -0.464 2.483 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.850 1.666 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.256 3.403 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.769 2.652 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.942 2.202 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.498 2.099 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.233 0.848 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.920 0.398 0.929 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.312 -2.922 4.155 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.705 -3.953 4.987 1.00 0.00 C ATOM 1190 C ARG A 73 -1.288 -4.267 4.517 1.00 0.00 C ATOM 1191 O ARG A 73 -0.945 -4.102 3.346 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.555 -5.225 4.962 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.050 -4.959 5.019 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.796 -6.110 5.678 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.815 -7.303 4.836 1.00 0.00 N ATOM 1196 CZ ARG A 73 -6.047 -8.526 5.300 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.278 -8.716 6.591 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -6.049 -9.562 4.471 1.00 0.00 N ATOM 0 H ARG A 73 -3.214 -3.077 3.152 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.656 -3.577 6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.329 -5.786 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.274 -5.856 5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.236 -4.039 5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.432 -4.807 4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.326 -6.347 6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.819 -5.802 5.894 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.641 -7.191 3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.278 -7.922 7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.456 -9.656 6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.872 -9.420 3.477 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.227 -10.501 4.828 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.442 -4.728 5.450 1.00 0.00 N ATOM 1213 CA PRO A 74 0.951 -5.074 5.155 1.00 0.00 C ATOM 1214 C PRO A 74 1.068 -6.325 4.291 1.00 0.00 C ATOM 1215 O PRO A 74 1.003 -7.448 4.794 1.00 0.00 O ATOM 1216 CB PRO A 74 1.557 -5.322 6.539 1.00 0.00 C ATOM 1217 CG PRO A 74 0.401 -5.713 7.393 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.782 -4.948 6.866 1.00 0.00 C ATOM 0 HA PRO A 74 1.453 -4.290 4.589 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.310 -6.110 6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.048 -4.428 6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.225 -6.787 7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.589 -5.469 8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.707 -5.514 6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.921 -4.006 7.397 1.00 0.00 H new ATOM 1226 N LEU A 75 1.240 -6.125 2.989 1.00 0.00 N ATOM 1227 CA LEU A 75 1.366 -7.238 2.054 1.00 0.00 C ATOM 1228 C LEU A 75 2.560 -8.117 2.412 1.00 0.00 C ATOM 1229 O LEU A 75 3.554 -7.638 2.956 1.00 0.00 O ATOM 1230 CB LEU A 75 1.514 -6.715 0.624 1.00 0.00 C ATOM 1231 CG LEU A 75 1.806 -7.765 -0.448 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.512 -8.367 -0.973 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.613 -7.156 -1.585 1.00 0.00 C ATOM 0 H LEU A 75 1.295 -5.203 2.557 1.00 0.00 H new ATOM 0 HA LEU A 75 0.461 -7.841 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.596 -6.193 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.316 -5.977 0.610 1.00 0.00 H new ATOM 0 HG LEU A 75 2.396 -8.562 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.740 -9.112 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.028 -8.840 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.105 -7.581 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.812 -7.918 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.049 -6.339 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.557 -6.774 -1.197 1.00 0.00 H new