USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 603 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 68 ASN : amide:sc= -0.304 K(o=-0.43,f=-2.3) USER MOD Set 1.2: A 71 ASN : amide:sc= -0.13 K(o=-0.43,f=-2.3) USER MOD Set 2.1: A 21 CYS SG : rot 179:sc= 1.02 USER MOD Set 2.2: A 48 TYR OH : rot 35:sc= 1.28 USER MOD Single : A 10 ASN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 23 HIS : no HD1:sc= -0.598 X(o=-0.6,f=-0.47) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -0.195 (180deg=-0.526) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 22:sc= 1.15 USER MOD Single : A 44 TYR OH : rot 130:sc= 0 USER MOD Single : A 45 TYR OH : rot 26:sc= -0.789 USER MOD Single : A 47 HIS : no HD1:sc= -2.27 X(o=-2.3,f=-2.4) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0656 (180deg=-0.482) USER MOD Single : A 54 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= -0.0381 (180deg=-2.44!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.91!) USER MOD Single : A 81 GLN : amide:sc= -0.0182 K(o=-0.018,f=-1.5) USER MOD Single : A 82 CYS SG : rot -160:sc= -0.0576 USER MOD ----------------------------------------------------------------- ATOM 113 N ALA A 9 -12.622 -12.990 4.614 1.00 1.00 N ATOM 114 CA ALA A 9 -11.427 -12.309 5.118 1.00 1.00 C ATOM 115 C ALA A 9 -11.803 -11.011 5.833 1.00 1.00 C ATOM 116 O ALA A 9 -10.928 -10.273 6.287 1.00 1.00 O ATOM 117 CB ALA A 9 -10.476 -12.008 3.946 1.00 1.00 C ATOM 0 HA ALA A 9 -10.928 -12.961 5.835 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -9.586 -11.501 4.320 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -10.186 -12.942 3.464 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -10.981 -11.368 3.223 1.00 1.00 H new ATOM 123 N ASN A 10 -13.098 -10.726 5.928 1.00 1.00 N ATOM 124 CA ASN A 10 -13.602 -9.503 6.589 1.00 1.00 C ATOM 125 C ASN A 10 -13.025 -8.243 5.928 1.00 1.00 C ATOM 126 O ASN A 10 -13.718 -7.543 5.190 1.00 1.00 O ATOM 127 CB ASN A 10 -13.267 -9.513 8.096 1.00 1.00 C ATOM 128 CG ASN A 10 -13.807 -10.784 8.748 1.00 1.00 C ATOM 129 OD1 ASN A 10 -13.109 -11.414 9.544 1.00 1.00 O ATOM 130 ND2 ASN A 10 -15.010 -11.199 8.462 1.00 1.00 N ATOM 0 H ASN A 10 -13.833 -11.326 5.554 1.00 1.00 H new ATOM 0 HA ASN A 10 -14.686 -9.488 6.474 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -12.188 -9.454 8.236 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -13.700 -8.636 8.578 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -15.374 -12.046 8.898 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -15.587 -10.676 7.803 1.00 1.00 H new ATOM 137 N THR A 11 -11.749 -7.970 6.177 1.00 1.00 N ATOM 138 CA THR A 11 -11.082 -6.801 5.590 1.00 1.00 C ATOM 139 C THR A 11 -11.124 -6.888 4.066 1.00 1.00 C ATOM 140 O THR A 11 -11.267 -7.963 3.484 1.00 1.00 O ATOM 141 CB THR A 11 -9.616 -6.727 6.058 1.00 1.00 C ATOM 142 OG1 THR A 11 -8.929 -7.890 5.619 1.00 1.00 O ATOM 143 CG2 THR A 11 -9.549 -6.641 7.592 1.00 1.00 C ATOM 0 H THR A 11 -11.152 -8.537 6.779 1.00 1.00 H new ATOM 0 HA THR A 11 -11.606 -5.903 5.918 1.00 1.00 H new ATOM 0 HB THR A 11 -9.150 -5.837 5.636 1.00 1.00 H new ATOM 0 HG1 THR A 11 -7.995 -7.848 5.912 1.00 1.00 H new ATOM 0 HG21 THR A 11 -8.507 -6.589 7.908 1.00 1.00 H new ATOM 0 HG22 THR A 11 -10.076 -5.748 7.930 1.00 1.00 H new ATOM 0 HG23 THR A 11 -10.017 -7.524 8.027 1.00 1.00 H new ATOM 151 N LEU A 12 -11.005 -5.735 3.415 1.00 1.00 N ATOM 152 CA LEU A 12 -11.039 -5.654 1.947 1.00 1.00 C ATOM 153 C LEU A 12 -9.642 -5.896 1.367 1.00 1.00 C ATOM 154 O LEU A 12 -9.453 -5.865 0.151 1.00 1.00 O ATOM 155 CB LEU A 12 -11.580 -4.264 1.519 1.00 1.00 C ATOM 156 CG LEU A 12 -12.902 -3.916 2.275 1.00 1.00 C ATOM 157 CD1 LEU A 12 -13.408 -2.527 1.819 1.00 1.00 C ATOM 158 CD2 LEU A 12 -14.005 -4.988 2.017 1.00 1.00 C ATOM 0 H LEU A 12 -10.883 -4.835 3.879 1.00 1.00 H new ATOM 0 HA LEU A 12 -11.703 -6.426 1.558 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -10.830 -3.500 1.723 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -11.760 -4.256 0.444 1.00 1.00 H new ATOM 0 HG LEU A 12 -12.689 -3.902 3.344 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -14.330 -2.285 2.347 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -12.653 -1.773 2.043 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -13.598 -2.543 0.746 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -14.911 -4.715 2.558 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -14.221 -5.039 0.950 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -13.655 -5.961 2.363 1.00 1.00 H new ATOM 170 N PHE A 13 -8.658 -6.126 2.230 1.00 1.00 N ATOM 171 CA PHE A 13 -7.255 -6.372 1.817 1.00 1.00 C ATOM 172 C PHE A 13 -6.899 -7.868 1.929 1.00 1.00 C ATOM 173 O PHE A 13 -7.195 -8.526 2.927 1.00 1.00 O ATOM 174 CB PHE A 13 -6.322 -5.543 2.719 1.00 1.00 C ATOM 175 CG PHE A 13 -6.695 -4.061 2.576 1.00 1.00 C ATOM 176 CD1 PHE A 13 -6.148 -3.292 1.528 1.00 1.00 C ATOM 177 CD2 PHE A 13 -7.603 -3.462 3.471 1.00 1.00 C ATOM 178 CE1 PHE A 13 -6.505 -1.946 1.382 1.00 1.00 C ATOM 179 CE2 PHE A 13 -7.958 -2.117 3.318 1.00 1.00 C ATOM 180 CZ PHE A 13 -7.409 -1.359 2.276 1.00 1.00 C ATOM 0 H PHE A 13 -8.797 -6.150 3.240 1.00 1.00 H new ATOM 0 HA PHE A 13 -7.133 -6.076 0.775 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.420 -5.860 3.757 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -5.282 -5.701 2.434 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -5.452 -3.743 0.836 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -8.026 -4.042 4.277 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -6.083 -1.360 0.579 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -8.657 -1.663 4.005 1.00 1.00 H new ATOM 0 HZ PHE A 13 -7.683 -0.321 2.162 1.00 1.00 H new ATOM 190 N VAL A 14 -6.250 -8.385 0.890 1.00 1.00 N ATOM 191 CA VAL A 14 -5.839 -9.811 0.826 1.00 1.00 C ATOM 192 C VAL A 14 -4.391 -9.930 0.338 1.00 1.00 C ATOM 193 O VAL A 14 -3.898 -9.089 -0.413 1.00 1.00 O ATOM 194 CB VAL A 14 -6.789 -10.573 -0.143 1.00 1.00 C ATOM 195 CG1 VAL A 14 -6.451 -12.089 -0.175 1.00 1.00 C ATOM 196 CG2 VAL A 14 -8.254 -10.383 0.321 1.00 1.00 C ATOM 0 H VAL A 14 -5.989 -7.843 0.066 1.00 1.00 H new ATOM 0 HA VAL A 14 -5.903 -10.247 1.823 1.00 1.00 H new ATOM 0 HB VAL A 14 -6.658 -10.168 -1.147 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -7.129 -12.599 -0.859 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -5.424 -12.226 -0.513 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -6.563 -12.508 0.825 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -8.922 -10.916 -0.356 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -8.370 -10.778 1.330 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -8.503 -9.322 0.316 1.00 1.00 H new ATOM 206 N ASP A 15 -3.714 -10.989 0.767 1.00 1.00 N ATOM 207 CA ASP A 15 -2.325 -11.245 0.384 1.00 1.00 C ATOM 208 C ASP A 15 -2.175 -11.373 -1.143 1.00 1.00 C ATOM 209 O ASP A 15 -2.999 -11.975 -1.831 1.00 1.00 O ATOM 210 CB ASP A 15 -1.849 -12.552 1.063 1.00 1.00 C ATOM 211 CG ASP A 15 -0.372 -12.844 0.762 1.00 1.00 C ATOM 212 OD1 ASP A 15 0.319 -11.944 0.305 1.00 1.00 O ATOM 213 OD2 ASP A 15 0.043 -13.968 0.987 1.00 1.00 O ATOM 0 H ASP A 15 -4.109 -11.695 1.389 1.00 1.00 H new ATOM 0 HA ASP A 15 -1.716 -10.402 0.710 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -1.992 -12.475 2.141 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -2.462 -13.385 0.719 1.00 1.00 H new ATOM 218 N GLY A 16 -1.092 -10.817 -1.675 1.00 1.00 N ATOM 219 CA GLY A 16 -0.804 -10.866 -3.120 1.00 1.00 C ATOM 220 C GLY A 16 -1.481 -9.713 -3.856 1.00 1.00 C ATOM 221 O GLY A 16 -1.274 -9.538 -5.057 1.00 1.00 O ATOM 0 H GLY A 16 -0.388 -10.321 -1.129 1.00 1.00 H new ATOM 0 HA2 GLY A 16 0.273 -10.821 -3.281 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -1.148 -11.815 -3.530 1.00 1.00 H new ATOM 225 N GLU A 17 -2.266 -8.924 -3.129 1.00 1.00 N ATOM 226 CA GLU A 17 -2.982 -7.775 -3.711 1.00 1.00 C ATOM 227 C GLU A 17 -2.033 -6.584 -3.912 1.00 1.00 C ATOM 228 O GLU A 17 -1.339 -6.168 -2.983 1.00 1.00 O ATOM 229 CB GLU A 17 -4.145 -7.375 -2.771 1.00 1.00 C ATOM 230 CG GLU A 17 -5.010 -6.250 -3.399 1.00 1.00 C ATOM 231 CD GLU A 17 -6.203 -5.904 -2.499 1.00 1.00 C ATOM 232 OE1 GLU A 17 -6.516 -6.688 -1.616 1.00 1.00 O ATOM 233 OE2 GLU A 17 -6.788 -4.854 -2.713 1.00 1.00 O ATOM 0 H GLU A 17 -2.428 -9.054 -2.130 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.376 -8.059 -4.686 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -4.768 -8.246 -2.567 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.744 -7.039 -1.815 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -4.399 -5.361 -3.556 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.369 -6.567 -4.378 1.00 1.00 H new ATOM 240 N ARG A 18 -2.016 -6.030 -5.118 1.00 1.00 N ATOM 241 CA ARG A 18 -1.168 -4.874 -5.443 1.00 1.00 C ATOM 242 C ARG A 18 -1.826 -3.594 -4.901 1.00 1.00 C ATOM 243 O ARG A 18 -2.995 -3.316 -5.171 1.00 1.00 O ATOM 244 CB ARG A 18 -0.988 -4.786 -6.976 1.00 1.00 C ATOM 245 CG ARG A 18 -0.007 -3.650 -7.357 1.00 1.00 C ATOM 246 CD ARG A 18 0.199 -3.619 -8.882 1.00 1.00 C ATOM 247 NE ARG A 18 -1.075 -3.343 -9.549 1.00 1.00 N ATOM 248 CZ ARG A 18 -1.199 -3.349 -10.881 1.00 1.00 C ATOM 249 NH1 ARG A 18 -0.163 -3.583 -11.646 1.00 1.00 N ATOM 250 NH2 ARG A 18 -2.364 -3.119 -11.422 1.00 1.00 N ATOM 0 H ARG A 18 -2.583 -6.361 -5.898 1.00 1.00 H new ATOM 0 HA ARG A 18 -0.187 -4.988 -4.981 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -0.614 -5.737 -7.357 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -1.954 -4.611 -7.449 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -0.398 -2.692 -7.015 1.00 1.00 H new ATOM 0 HG3 ARG A 18 0.949 -3.801 -6.856 1.00 1.00 H new ATOM 0 HD2 ARG A 18 0.930 -2.854 -9.144 1.00 1.00 H new ATOM 0 HD3 ARG A 18 0.600 -4.573 -9.224 1.00 1.00 H new ATOM 0 HE ARG A 18 -1.896 -3.139 -8.979 1.00 1.00 H new ATOM 0 HH11 ARG A 18 0.750 -3.763 -11.228 1.00 1.00 H new ATOM 0 HH12 ARG A 18 -0.268 -3.585 -12.661 1.00 1.00 H new ATOM 0 HH21 ARG A 18 -3.174 -2.936 -10.830 1.00 1.00 H new ATOM 0 HH22 ARG A 18 -2.465 -3.122 -12.437 1.00 1.00 H new ATOM 264 N VAL A 19 -1.078 -2.806 -4.135 1.00 1.00 N ATOM 265 CA VAL A 19 -1.592 -1.543 -3.541 1.00 1.00 C ATOM 266 C VAL A 19 -0.532 -0.446 -3.609 1.00 1.00 C ATOM 267 O VAL A 19 0.638 -0.701 -3.895 1.00 1.00 O ATOM 268 CB VAL A 19 -2.007 -1.774 -2.056 1.00 1.00 C ATOM 269 CG1 VAL A 19 -3.120 -2.847 -1.980 1.00 1.00 C ATOM 270 CG2 VAL A 19 -0.777 -2.222 -1.205 1.00 1.00 C ATOM 0 H VAL A 19 -0.106 -3.008 -3.901 1.00 1.00 H new ATOM 0 HA VAL A 19 -2.464 -1.229 -4.114 1.00 1.00 H new ATOM 0 HB VAL A 19 -2.385 -0.835 -1.652 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -3.405 -3.003 -0.939 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -3.988 -2.512 -2.547 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.752 -3.783 -2.400 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -1.087 -2.378 -0.172 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -0.375 -3.152 -1.608 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -0.009 -1.449 -1.241 1.00 1.00 H new ATOM 280 N LEU A 20 -0.948 0.781 -3.319 1.00 1.00 N ATOM 281 CA LEU A 20 -0.043 1.949 -3.333 1.00 1.00 C ATOM 282 C LEU A 20 0.205 2.443 -1.898 1.00 1.00 C ATOM 283 O LEU A 20 -0.705 2.498 -1.070 1.00 1.00 O ATOM 284 CB LEU A 20 -0.681 3.076 -4.187 1.00 1.00 C ATOM 285 CG LEU A 20 -1.114 2.544 -5.591 1.00 1.00 C ATOM 286 CD1 LEU A 20 -1.714 3.704 -6.420 1.00 1.00 C ATOM 287 CD2 LEU A 20 0.086 1.914 -6.365 1.00 1.00 C ATOM 0 H LEU A 20 -1.911 1.005 -3.068 1.00 1.00 H new ATOM 0 HA LEU A 20 0.915 1.663 -3.768 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.547 3.484 -3.667 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.032 3.892 -4.308 1.00 1.00 H new ATOM 0 HG LEU A 20 -1.861 1.765 -5.440 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -2.016 3.333 -7.399 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.583 4.110 -5.902 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -0.966 4.488 -6.544 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -0.255 1.556 -7.336 1.00 1.00 H new ATOM 0 HD22 LEU A 20 0.862 2.666 -6.508 1.00 1.00 H new ATOM 0 HD23 LEU A 20 0.491 1.080 -5.792 1.00 1.00 H new ATOM 299 N CYS A 21 1.448 2.815 -1.613 1.00 1.00 N ATOM 300 CA CYS A 21 1.852 3.307 -0.272 1.00 1.00 C ATOM 301 C CYS A 21 2.563 4.665 -0.385 1.00 1.00 C ATOM 302 O CYS A 21 3.594 4.791 -1.047 1.00 1.00 O ATOM 303 CB CYS A 21 2.799 2.280 0.373 1.00 1.00 C ATOM 304 SG CYS A 21 3.219 2.807 2.053 1.00 1.00 S ATOM 0 H CYS A 21 2.210 2.790 -2.290 1.00 1.00 H new ATOM 0 HA CYS A 21 0.962 3.434 0.344 1.00 1.00 H new ATOM 0 HB2 CYS A 21 2.325 1.299 0.397 1.00 1.00 H new ATOM 0 HB3 CYS A 21 3.705 2.181 -0.225 1.00 1.00 H new ATOM 0 HG CYS A 21 4.000 1.925 2.602 1.00 1.00 H new ATOM 310 N PHE A 22 2.005 5.681 0.264 1.00 1.00 N ATOM 311 CA PHE A 22 2.578 7.046 0.254 1.00 1.00 C ATOM 312 C PHE A 22 3.318 7.312 1.564 1.00 1.00 C ATOM 313 O PHE A 22 3.148 6.608 2.559 1.00 1.00 O ATOM 314 CB PHE A 22 1.452 8.086 0.049 1.00 1.00 C ATOM 315 CG PHE A 22 0.427 8.024 1.196 1.00 1.00 C ATOM 316 CD1 PHE A 22 0.606 8.816 2.350 1.00 1.00 C ATOM 317 CD2 PHE A 22 -0.706 7.188 1.101 1.00 1.00 C ATOM 318 CE1 PHE A 22 -0.332 8.771 3.388 1.00 1.00 C ATOM 319 CE2 PHE A 22 -1.640 7.147 2.145 1.00 1.00 C ATOM 320 CZ PHE A 22 -1.454 7.939 3.285 1.00 1.00 C ATOM 0 H PHE A 22 1.149 5.596 0.812 1.00 1.00 H new ATOM 0 HA PHE A 22 3.288 7.131 -0.569 1.00 1.00 H new ATOM 0 HB2 PHE A 22 1.882 9.086 -0.006 1.00 1.00 H new ATOM 0 HB3 PHE A 22 0.951 7.902 -0.901 1.00 1.00 H new ATOM 0 HD1 PHE A 22 1.470 9.459 2.433 1.00 1.00 H new ATOM 0 HD2 PHE A 22 -0.854 6.578 0.222 1.00 1.00 H new ATOM 0 HE1 PHE A 22 -0.190 9.379 4.270 1.00 1.00 H new ATOM 0 HE2 PHE A 22 -2.504 6.504 2.070 1.00 1.00 H new ATOM 0 HZ PHE A 22 -2.177 7.908 4.086 1.00 1.00 H new ATOM 330 N HIS A 23 4.157 8.345 1.569 1.00 1.00 N ATOM 331 CA HIS A 23 4.930 8.707 2.766 1.00 1.00 C ATOM 332 C HIS A 23 5.517 10.108 2.606 1.00 1.00 C ATOM 333 O HIS A 23 6.405 10.507 3.360 1.00 1.00 O ATOM 334 CB HIS A 23 6.053 7.665 3.001 1.00 1.00 C ATOM 335 CG HIS A 23 6.748 7.914 4.321 1.00 1.00 C ATOM 336 ND1 HIS A 23 6.126 7.672 5.538 1.00 1.00 N ATOM 337 CD2 HIS A 23 8.007 8.369 4.630 1.00 1.00 C ATOM 338 CE1 HIS A 23 7.005 7.978 6.510 1.00 1.00 C ATOM 339 NE2 HIS A 23 8.167 8.408 6.012 1.00 1.00 N ATOM 0 H HIS A 23 4.322 8.948 0.763 1.00 1.00 H new ATOM 0 HA HIS A 23 4.271 8.708 3.634 1.00 1.00 H new ATOM 0 HB2 HIS A 23 5.631 6.660 2.991 1.00 1.00 H new ATOM 0 HB3 HIS A 23 6.778 7.715 2.188 1.00 1.00 H new ATOM 0 HD2 HIS A 23 8.759 8.654 3.909 1.00 1.00 H new ATOM 0 HE1 HIS A 23 6.796 7.887 7.566 1.00 1.00 H new ATOM 0 HE2 HIS A 23 8.994 8.702 6.532 1.00 1.00 H new ATOM 348 N GLY A 24 5.014 10.856 1.630 1.00 1.00 N ATOM 349 CA GLY A 24 5.489 12.218 1.372 1.00 1.00 C ATOM 350 C GLY A 24 4.761 12.851 0.168 1.00 1.00 C ATOM 351 O GLY A 24 3.759 12.306 -0.296 1.00 1.00 O ATOM 0 H GLY A 24 4.275 10.544 1.000 1.00 1.00 H new ATOM 0 HA2 GLY A 24 5.332 12.833 2.258 1.00 1.00 H new ATOM 0 HA3 GLY A 24 6.562 12.201 1.182 1.00 1.00 H new ATOM 355 N PRO A 25 5.232 13.959 -0.334 1.00 1.00 N ATOM 356 CA PRO A 25 4.583 14.647 -1.514 1.00 1.00 C ATOM 357 C PRO A 25 4.441 13.735 -2.751 1.00 1.00 C ATOM 358 O PRO A 25 3.921 14.155 -3.783 1.00 1.00 O ATOM 359 CB PRO A 25 5.531 15.854 -1.792 1.00 1.00 C ATOM 360 CG PRO A 25 6.160 16.127 -0.458 1.00 1.00 C ATOM 361 CD PRO A 25 6.423 14.730 0.128 1.00 1.00 C ATOM 0 HA PRO A 25 3.556 14.943 -1.297 1.00 1.00 H new ATOM 0 HB2 PRO A 25 6.280 15.610 -2.545 1.00 1.00 H new ATOM 0 HB3 PRO A 25 4.980 16.720 -2.159 1.00 1.00 H new ATOM 0 HG2 PRO A 25 7.084 16.696 -0.562 1.00 1.00 H new ATOM 0 HG3 PRO A 25 5.498 16.709 0.183 1.00 1.00 H new ATOM 0 HD2 PRO A 25 7.354 14.302 -0.245 1.00 1.00 H new ATOM 0 HD3 PRO A 25 6.495 14.753 1.215 1.00 1.00 H new ATOM 369 N LEU A 26 4.916 12.497 -2.650 1.00 1.00 N ATOM 370 CA LEU A 26 4.850 11.519 -3.770 1.00 1.00 C ATOM 371 C LEU A 26 4.310 10.166 -3.292 1.00 1.00 C ATOM 372 O LEU A 26 4.406 9.787 -2.125 1.00 1.00 O ATOM 373 CB LEU A 26 6.268 11.330 -4.392 1.00 1.00 C ATOM 374 CG LEU A 26 6.661 12.527 -5.344 1.00 1.00 C ATOM 375 CD1 LEU A 26 8.199 12.604 -5.487 1.00 1.00 C ATOM 376 CD2 LEU A 26 6.036 12.335 -6.765 1.00 1.00 C ATOM 0 H LEU A 26 5.356 12.131 -1.806 1.00 1.00 H new ATOM 0 HA LEU A 26 4.168 11.912 -4.525 1.00 1.00 H new ATOM 0 HB2 LEU A 26 7.005 11.244 -3.594 1.00 1.00 H new ATOM 0 HB3 LEU A 26 6.296 10.396 -4.953 1.00 1.00 H new ATOM 0 HG LEU A 26 6.278 13.447 -4.903 1.00 1.00 H new ATOM 0 HD11 LEU A 26 8.462 13.432 -6.145 1.00 1.00 H new ATOM 0 HD12 LEU A 26 8.648 12.763 -4.507 1.00 1.00 H new ATOM 0 HD13 LEU A 26 8.572 11.671 -5.910 1.00 1.00 H new ATOM 0 HD21 LEU A 26 6.320 13.171 -7.404 1.00 1.00 H new ATOM 0 HD22 LEU A 26 6.402 11.405 -7.201 1.00 1.00 H new ATOM 0 HD23 LEU A 26 4.950 12.294 -6.682 1.00 1.00 H new ATOM 388 N ILE A 27 3.746 9.431 -4.246 1.00 1.00 N ATOM 389 CA ILE A 27 3.164 8.095 -3.995 1.00 1.00 C ATOM 390 C ILE A 27 4.089 7.021 -4.599 1.00 1.00 C ATOM 391 O ILE A 27 4.483 7.097 -5.764 1.00 1.00 O ATOM 392 CB ILE A 27 1.748 8.008 -4.641 1.00 1.00 C ATOM 393 CG1 ILE A 27 0.853 9.171 -4.102 1.00 1.00 C ATOM 394 CG2 ILE A 27 1.081 6.643 -4.300 1.00 1.00 C ATOM 395 CD1 ILE A 27 -0.500 9.215 -4.840 1.00 1.00 C ATOM 0 H ILE A 27 3.674 9.735 -5.217 1.00 1.00 H new ATOM 0 HA ILE A 27 3.070 7.929 -2.922 1.00 1.00 H new ATOM 0 HB ILE A 27 1.850 8.093 -5.723 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.684 9.039 -3.033 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.371 10.122 -4.228 1.00 1.00 H new ATOM 0 HG21 ILE A 27 0.093 6.596 -4.758 1.00 1.00 H new ATOM 0 HG22 ILE A 27 1.698 5.831 -4.685 1.00 1.00 H new ATOM 0 HG23 ILE A 27 0.985 6.545 -3.219 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -1.103 10.033 -4.446 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -0.329 9.371 -5.905 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -1.026 8.272 -4.692 1.00 1.00 H new ATOM 407 N TYR A 28 4.410 6.009 -3.799 1.00 1.00 N ATOM 408 CA TYR A 28 5.292 4.893 -4.220 1.00 1.00 C ATOM 409 C TYR A 28 4.506 3.582 -4.302 1.00 1.00 C ATOM 410 O TYR A 28 3.502 3.400 -3.612 1.00 1.00 O ATOM 411 CB TYR A 28 6.433 4.764 -3.191 1.00 1.00 C ATOM 412 CG TYR A 28 7.198 6.094 -3.140 1.00 1.00 C ATOM 413 CD1 TYR A 28 8.274 6.330 -4.019 1.00 1.00 C ATOM 414 CD2 TYR A 28 6.816 7.101 -2.229 1.00 1.00 C ATOM 415 CE1 TYR A 28 8.957 7.553 -3.984 1.00 1.00 C ATOM 416 CE2 TYR A 28 7.505 8.320 -2.199 1.00 1.00 C ATOM 417 CZ TYR A 28 8.574 8.544 -3.075 1.00 1.00 C ATOM 418 OH TYR A 28 9.250 9.745 -3.043 1.00 1.00 O ATOM 0 H TYR A 28 4.074 5.927 -2.840 1.00 1.00 H new ATOM 0 HA TYR A 28 5.698 5.100 -5.210 1.00 1.00 H new ATOM 0 HB2 TYR A 28 6.030 4.521 -2.208 1.00 1.00 H new ATOM 0 HB3 TYR A 28 7.104 3.952 -3.470 1.00 1.00 H new ATOM 0 HD1 TYR A 28 8.573 5.566 -4.722 1.00 1.00 H new ATOM 0 HD2 TYR A 28 5.991 6.932 -1.553 1.00 1.00 H new ATOM 0 HE1 TYR A 28 9.780 7.730 -4.660 1.00 1.00 H new ATOM 0 HE2 TYR A 28 7.211 9.088 -1.499 1.00 1.00 H new ATOM 0 HH TYR A 28 8.857 10.323 -2.356 1.00 1.00 H new ATOM 428 N GLU A 29 4.970 2.662 -5.141 1.00 1.00 N ATOM 429 CA GLU A 29 4.309 1.359 -5.328 1.00 1.00 C ATOM 430 C GLU A 29 4.689 0.389 -4.207 1.00 1.00 C ATOM 431 O GLU A 29 5.812 0.398 -3.701 1.00 1.00 O ATOM 432 CB GLU A 29 4.718 0.774 -6.704 1.00 1.00 C ATOM 433 CG GLU A 29 3.926 -0.524 -7.020 1.00 1.00 C ATOM 434 CD GLU A 29 4.282 -1.067 -8.411 1.00 1.00 C ATOM 435 OE1 GLU A 29 4.848 -0.327 -9.202 1.00 1.00 O ATOM 436 OE2 GLU A 29 3.971 -2.220 -8.666 1.00 1.00 O ATOM 0 H GLU A 29 5.807 2.789 -5.710 1.00 1.00 H new ATOM 0 HA GLU A 29 3.229 1.501 -5.296 1.00 1.00 H new ATOM 0 HB2 GLU A 29 4.537 1.513 -7.485 1.00 1.00 H new ATOM 0 HB3 GLU A 29 5.787 0.561 -6.708 1.00 1.00 H new ATOM 0 HG2 GLU A 29 4.144 -1.279 -6.265 1.00 1.00 H new ATOM 0 HG3 GLU A 29 2.856 -0.322 -6.968 1.00 1.00 H new ATOM 443 N ALA A 30 3.741 -0.465 -3.834 1.00 1.00 N ATOM 444 CA ALA A 30 3.951 -1.464 -2.778 1.00 1.00 C ATOM 445 C ALA A 30 3.016 -2.649 -3.004 1.00 1.00 C ATOM 446 O ALA A 30 2.153 -2.630 -3.882 1.00 1.00 O ATOM 447 CB ALA A 30 3.683 -0.821 -1.405 1.00 1.00 C ATOM 0 H ALA A 30 2.809 -0.489 -4.249 1.00 1.00 H new ATOM 0 HA ALA A 30 4.981 -1.820 -2.805 1.00 1.00 H new ATOM 0 HB1 ALA A 30 3.838 -1.561 -0.620 1.00 1.00 H new ATOM 0 HB2 ALA A 30 4.366 0.015 -1.255 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.655 -0.461 -1.366 1.00 1.00 H new ATOM 453 N LYS A 31 3.175 -3.702 -2.209 1.00 1.00 N ATOM 454 CA LYS A 31 2.332 -4.912 -2.327 1.00 1.00 C ATOM 455 C LYS A 31 2.042 -5.503 -0.948 1.00 1.00 C ATOM 456 O LYS A 31 2.807 -5.347 0.004 1.00 1.00 O ATOM 457 CB LYS A 31 3.041 -5.952 -3.233 1.00 1.00 C ATOM 458 CG LYS A 31 2.122 -7.182 -3.500 1.00 1.00 C ATOM 459 CD LYS A 31 2.746 -8.138 -4.559 1.00 1.00 C ATOM 460 CE LYS A 31 4.038 -8.818 -4.043 1.00 1.00 C ATOM 461 NZ LYS A 31 4.374 -9.956 -4.944 1.00 1.00 N ATOM 0 H LYS A 31 3.878 -3.753 -1.471 1.00 1.00 H new ATOM 0 HA LYS A 31 1.379 -4.639 -2.780 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.316 -5.487 -4.180 1.00 1.00 H new ATOM 0 HB3 LYS A 31 3.966 -6.281 -2.759 1.00 1.00 H new ATOM 0 HG2 LYS A 31 1.958 -7.725 -2.569 1.00 1.00 H new ATOM 0 HG3 LYS A 31 1.146 -6.841 -3.846 1.00 1.00 H new ATOM 0 HD2 LYS A 31 2.018 -8.903 -4.829 1.00 1.00 H new ATOM 0 HD3 LYS A 31 2.970 -7.576 -5.466 1.00 1.00 H new ATOM 0 HE2 LYS A 31 4.858 -8.101 -4.019 1.00 1.00 H new ATOM 0 HE3 LYS A 31 3.896 -9.174 -3.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 5.241 -10.421 -4.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 3.591 -10.641 -4.945 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 4.524 -9.601 -5.910 1.00 1.00 H new ATOM 475 N VAL A 32 0.916 -6.199 -0.845 1.00 1.00 N ATOM 476 CA VAL A 32 0.481 -6.834 0.407 1.00 1.00 C ATOM 477 C VAL A 32 1.003 -8.278 0.470 1.00 1.00 C ATOM 478 O VAL A 32 0.655 -9.115 -0.364 1.00 1.00 O ATOM 479 CB VAL A 32 -1.074 -6.824 0.465 1.00 1.00 C ATOM 480 CG1 VAL A 32 -1.573 -7.342 1.836 1.00 1.00 C ATOM 481 CG2 VAL A 32 -1.589 -5.379 0.250 1.00 1.00 C ATOM 0 H VAL A 32 0.274 -6.343 -1.624 1.00 1.00 H new ATOM 0 HA VAL A 32 0.881 -6.283 1.258 1.00 1.00 H new ATOM 0 HB VAL A 32 -1.455 -7.478 -0.319 1.00 1.00 H new ATOM 0 HG11 VAL A 32 -2.663 -7.327 1.856 1.00 1.00 H new ATOM 0 HG12 VAL A 32 -1.221 -8.362 1.989 1.00 1.00 H new ATOM 0 HG13 VAL A 32 -1.187 -6.702 2.629 1.00 1.00 H new ATOM 0 HG21 VAL A 32 -2.678 -5.371 0.290 1.00 1.00 H new ATOM 0 HG22 VAL A 32 -1.192 -4.731 1.032 1.00 1.00 H new ATOM 0 HG23 VAL A 32 -1.260 -5.016 -0.724 1.00 1.00 H new ATOM 491 N LEU A 33 1.831 -8.576 1.465 1.00 1.00 N ATOM 492 CA LEU A 33 2.398 -9.936 1.644 1.00 1.00 C ATOM 493 C LEU A 33 1.619 -10.692 2.700 1.00 1.00 C ATOM 494 O LEU A 33 1.497 -11.913 2.596 1.00 1.00 O ATOM 495 CB LEU A 33 3.890 -9.859 2.058 1.00 1.00 C ATOM 496 CG LEU A 33 4.537 -11.271 2.311 1.00 1.00 C ATOM 497 CD1 LEU A 33 4.450 -12.185 1.054 1.00 1.00 C ATOM 498 CD2 LEU A 33 6.019 -11.075 2.711 1.00 1.00 C ATOM 0 H LEU A 33 2.134 -7.903 2.169 1.00 1.00 H new ATOM 0 HA LEU A 33 2.324 -10.462 0.692 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.451 -9.344 1.278 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.979 -9.258 2.963 1.00 1.00 H new ATOM 0 HG LEU A 33 3.984 -11.763 3.111 1.00 1.00 H new ATOM 0 HD11 LEU A 33 4.908 -13.149 1.273 1.00 1.00 H new ATOM 0 HD12 LEU A 33 3.405 -12.333 0.784 1.00 1.00 H new ATOM 0 HD13 LEU A 33 4.976 -11.713 0.224 1.00 1.00 H new ATOM 0 HD21 LEU A 33 6.479 -12.047 2.889 1.00 1.00 H new ATOM 0 HD22 LEU A 33 6.549 -10.565 1.906 1.00 1.00 H new ATOM 0 HD23 LEU A 33 6.074 -10.475 3.619 1.00 1.00 H new ATOM 510 N LYS A 34 1.109 -10.005 3.717 1.00 1.00 N ATOM 511 CA LYS A 34 0.348 -10.674 4.791 1.00 1.00 C ATOM 512 C LYS A 34 -0.650 -9.688 5.411 1.00 1.00 C ATOM 513 O LYS A 34 -0.389 -8.489 5.515 1.00 1.00 O ATOM 514 CB LYS A 34 1.332 -11.241 5.848 1.00 1.00 C ATOM 515 CG LYS A 34 0.587 -12.047 6.950 1.00 1.00 C ATOM 516 CD LYS A 34 1.560 -12.502 8.075 1.00 1.00 C ATOM 517 CE LYS A 34 2.699 -13.408 7.529 1.00 1.00 C ATOM 518 NZ LYS A 34 2.145 -14.386 6.550 1.00 1.00 N ATOM 0 H LYS A 34 1.202 -8.995 3.829 1.00 1.00 H new ATOM 0 HA LYS A 34 -0.222 -11.508 4.382 1.00 1.00 H new ATOM 0 HB2 LYS A 34 2.063 -11.884 5.358 1.00 1.00 H new ATOM 0 HB3 LYS A 34 1.885 -10.422 6.307 1.00 1.00 H new ATOM 0 HG2 LYS A 34 -0.206 -11.434 7.378 1.00 1.00 H new ATOM 0 HG3 LYS A 34 0.109 -12.920 6.505 1.00 1.00 H new ATOM 0 HD2 LYS A 34 1.993 -11.625 8.556 1.00 1.00 H new ATOM 0 HD3 LYS A 34 1.002 -13.042 8.840 1.00 1.00 H new ATOM 0 HE2 LYS A 34 3.465 -12.796 7.052 1.00 1.00 H new ATOM 0 HE3 LYS A 34 3.181 -13.937 8.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 2.779 -15.208 6.484 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 1.205 -14.698 6.866 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 2.065 -13.935 5.616 1.00 1.00 H new ATOM 532 N THR A 35 -1.799 -10.214 5.820 1.00 1.00 N ATOM 533 CA THR A 35 -2.870 -9.399 6.429 1.00 1.00 C ATOM 534 C THR A 35 -3.392 -10.062 7.699 1.00 1.00 C ATOM 535 O THR A 35 -3.493 -11.286 7.786 1.00 1.00 O ATOM 536 CB THR A 35 -4.039 -9.262 5.426 1.00 1.00 C ATOM 537 OG1 THR A 35 -4.601 -10.544 5.189 1.00 1.00 O ATOM 538 CG2 THR A 35 -3.534 -8.678 4.100 1.00 1.00 C ATOM 0 H THR A 35 -2.023 -11.206 5.745 1.00 1.00 H new ATOM 0 HA THR A 35 -2.463 -8.419 6.678 1.00 1.00 H new ATOM 0 HB THR A 35 -4.792 -8.594 5.844 1.00 1.00 H new ATOM 0 HG1 THR A 35 -5.344 -10.463 4.555 1.00 1.00 H new ATOM 0 HG21 THR A 35 -4.366 -8.586 3.402 1.00 1.00 H new ATOM 0 HG22 THR A 35 -3.100 -7.694 4.278 1.00 1.00 H new ATOM 0 HG23 THR A 35 -2.777 -9.338 3.677 1.00 1.00 H new ATOM 546 N LYS A 36 -3.758 -9.239 8.677 1.00 1.00 N ATOM 547 CA LYS A 36 -4.309 -9.763 9.955 1.00 1.00 C ATOM 548 C LYS A 36 -5.768 -9.285 10.125 1.00 1.00 C ATOM 549 O LYS A 36 -5.988 -8.317 10.853 1.00 1.00 O ATOM 550 CB LYS A 36 -3.415 -9.292 11.132 1.00 1.00 C ATOM 551 CG LYS A 36 -3.894 -9.914 12.476 1.00 1.00 C ATOM 552 CD LYS A 36 -2.932 -9.533 13.622 1.00 1.00 C ATOM 553 CE LYS A 36 -3.388 -10.191 14.941 1.00 1.00 C ATOM 554 NZ LYS A 36 -2.451 -9.807 16.033 1.00 1.00 N ATOM 0 H LYS A 36 -3.691 -8.222 8.627 1.00 1.00 H new ATOM 0 HA LYS A 36 -4.312 -10.853 9.944 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.380 -9.576 10.944 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -3.440 -8.204 11.200 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -4.900 -9.565 12.707 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -3.947 -10.999 12.383 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -1.919 -9.854 13.378 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -2.904 -8.450 13.738 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -4.401 -9.874 15.188 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -3.411 -11.275 14.831 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -2.756 -10.249 16.924 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -1.491 -10.130 15.797 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -2.451 -8.773 16.142 1.00 1.00 H new ATOM 568 N PRO A 37 -6.735 -9.912 9.517 1.00 1.00 N ATOM 569 CA PRO A 37 -8.182 -9.488 9.633 1.00 1.00 C ATOM 570 C PRO A 37 -8.848 -10.027 10.895 1.00 1.00 C ATOM 571 O PRO A 37 -10.070 -9.984 11.032 1.00 1.00 O ATOM 572 CB PRO A 37 -8.801 -10.094 8.360 1.00 1.00 C ATOM 573 CG PRO A 37 -8.102 -11.414 8.240 1.00 1.00 C ATOM 574 CD PRO A 37 -6.631 -11.113 8.622 1.00 1.00 C ATOM 0 HA PRO A 37 -8.306 -8.408 9.713 1.00 1.00 H new ATOM 0 HB2 PRO A 37 -9.880 -10.216 8.455 1.00 1.00 H new ATOM 0 HB3 PRO A 37 -8.627 -9.464 7.487 1.00 1.00 H new ATOM 0 HG2 PRO A 37 -8.541 -12.157 8.906 1.00 1.00 H new ATOM 0 HG3 PRO A 37 -8.175 -11.811 7.228 1.00 1.00 H new ATOM 0 HD2 PRO A 37 -6.170 -11.957 9.136 1.00 1.00 H new ATOM 0 HD3 PRO A 37 -6.023 -10.905 7.742 1.00 1.00 H new ATOM 582 N ASP A 38 -8.043 -10.527 11.827 1.00 1.00 N ATOM 583 CA ASP A 38 -8.545 -11.082 13.083 1.00 1.00 C ATOM 584 C ASP A 38 -9.066 -9.970 14.002 1.00 1.00 C ATOM 585 O ASP A 38 -9.347 -10.209 15.178 1.00 1.00 O ATOM 586 CB ASP A 38 -7.393 -11.849 13.761 1.00 1.00 C ATOM 587 CG ASP A 38 -6.945 -13.040 12.903 1.00 1.00 C ATOM 588 OD1 ASP A 38 -7.762 -13.557 12.155 1.00 1.00 O ATOM 589 OD2 ASP A 38 -5.792 -13.419 13.013 1.00 1.00 O ATOM 0 H ASP A 38 -7.028 -10.560 11.735 1.00 1.00 H new ATOM 0 HA ASP A 38 -9.378 -11.755 12.883 1.00 1.00 H new ATOM 0 HB2 ASP A 38 -6.551 -11.177 13.925 1.00 1.00 H new ATOM 0 HB3 ASP A 38 -7.714 -12.202 14.741 1.00 1.00 H new ATOM 594 N ALA A 39 -9.190 -8.757 13.476 1.00 1.00 N ATOM 595 CA ALA A 39 -9.680 -7.615 14.269 1.00 1.00 C ATOM 596 C ALA A 39 -10.066 -6.433 13.369 1.00 1.00 C ATOM 597 O ALA A 39 -9.645 -6.336 12.217 1.00 1.00 O ATOM 598 CB ALA A 39 -8.589 -7.186 15.268 1.00 1.00 C ATOM 0 H ALA A 39 -8.961 -8.530 12.508 1.00 1.00 H new ATOM 0 HA ALA A 39 -10.575 -7.926 14.808 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -8.947 -6.341 15.857 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -8.356 -8.019 15.932 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -7.691 -6.894 14.723 1.00 1.00 H new ATOM 604 N THR A 40 -10.860 -5.515 13.913 1.00 1.00 N ATOM 605 CA THR A 40 -11.323 -4.311 13.167 1.00 1.00 C ATOM 606 C THR A 40 -11.395 -3.054 14.101 1.00 1.00 C ATOM 607 O THR A 40 -12.254 -3.042 14.983 1.00 1.00 O ATOM 608 CB THR A 40 -12.737 -4.577 12.598 1.00 1.00 C ATOM 609 OG1 THR A 40 -13.642 -4.760 13.676 1.00 1.00 O ATOM 610 CG2 THR A 40 -12.745 -5.844 11.714 1.00 1.00 C ATOM 0 H THR A 40 -11.207 -5.567 14.871 1.00 1.00 H new ATOM 0 HA THR A 40 -10.610 -4.115 12.366 1.00 1.00 H new ATOM 0 HB THR A 40 -13.035 -3.724 11.989 1.00 1.00 H new ATOM 0 HG1 THR A 40 -13.276 -4.345 14.485 1.00 1.00 H new ATOM 0 HG21 THR A 40 -13.750 -6.010 11.326 1.00 1.00 H new ATOM 0 HG22 THR A 40 -12.052 -5.712 10.883 1.00 1.00 H new ATOM 0 HG23 THR A 40 -12.439 -6.705 12.309 1.00 1.00 H new ATOM 618 N PRO A 41 -10.570 -2.056 13.947 1.00 1.00 N ATOM 619 CA PRO A 41 -9.465 -1.912 12.920 1.00 1.00 C ATOM 620 C PRO A 41 -8.322 -2.885 13.216 1.00 1.00 C ATOM 621 O PRO A 41 -8.391 -3.702 14.133 1.00 1.00 O ATOM 622 CB PRO A 41 -9.018 -0.430 13.084 1.00 1.00 C ATOM 623 CG PRO A 41 -9.248 -0.172 14.540 1.00 1.00 C ATOM 624 CD PRO A 41 -10.602 -0.845 14.821 1.00 1.00 C ATOM 0 HA PRO A 41 -9.783 -2.142 11.903 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -7.973 -0.290 12.809 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -9.605 0.241 12.457 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -8.454 -0.599 15.153 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -9.279 0.896 14.757 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -10.709 -1.110 15.873 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -11.437 -0.190 14.571 1.00 1.00 H new ATOM 632 N VAL A 42 -7.258 -2.789 12.425 1.00 1.00 N ATOM 633 CA VAL A 42 -6.092 -3.685 12.608 1.00 1.00 C ATOM 634 C VAL A 42 -4.877 -3.175 11.818 1.00 1.00 C ATOM 635 O VAL A 42 -4.872 -2.038 11.349 1.00 1.00 O ATOM 636 CB VAL A 42 -6.503 -5.147 12.201 1.00 1.00 C ATOM 637 CG1 VAL A 42 -6.696 -5.248 10.658 1.00 1.00 C ATOM 638 CG2 VAL A 42 -5.465 -6.224 12.707 1.00 1.00 C ATOM 0 H VAL A 42 -7.166 -2.118 11.662 1.00 1.00 H new ATOM 0 HA VAL A 42 -5.791 -3.693 13.656 1.00 1.00 H new ATOM 0 HB VAL A 42 -7.452 -5.365 12.691 1.00 1.00 H new ATOM 0 HG11 VAL A 42 -6.980 -6.266 10.393 1.00 1.00 H new ATOM 0 HG12 VAL A 42 -7.480 -4.559 10.343 1.00 1.00 H new ATOM 0 HG13 VAL A 42 -5.763 -4.990 10.157 1.00 1.00 H new ATOM 0 HG21 VAL A 42 -5.793 -7.217 12.401 1.00 1.00 H new ATOM 0 HG22 VAL A 42 -4.486 -6.016 12.276 1.00 1.00 H new ATOM 0 HG23 VAL A 42 -5.399 -6.183 13.794 1.00 1.00 H new ATOM 648 N GLU A 43 -3.841 -4.000 11.694 1.00 1.00 N ATOM 649 CA GLU A 43 -2.598 -3.679 10.970 1.00 1.00 C ATOM 650 C GLU A 43 -2.437 -4.616 9.755 1.00 1.00 C ATOM 651 O GLU A 43 -2.995 -5.710 9.675 1.00 1.00 O ATOM 652 CB GLU A 43 -1.385 -3.829 11.924 1.00 1.00 C ATOM 653 CG GLU A 43 -1.353 -5.242 12.552 1.00 1.00 C ATOM 654 CD GLU A 43 -0.177 -5.368 13.523 1.00 1.00 C ATOM 655 OE1 GLU A 43 0.857 -4.776 13.257 1.00 1.00 O ATOM 656 OE2 GLU A 43 -0.330 -6.056 14.521 1.00 1.00 O ATOM 0 H GLU A 43 -3.835 -4.935 12.101 1.00 1.00 H new ATOM 0 HA GLU A 43 -2.646 -2.650 10.614 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -0.460 -3.649 11.375 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -1.440 -3.077 12.711 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -2.289 -5.435 13.077 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -1.267 -5.994 11.767 1.00 1.00 H new ATOM 663 N TYR A 44 -1.646 -4.158 8.791 1.00 1.00 N ATOM 664 CA TYR A 44 -1.383 -4.913 7.552 1.00 1.00 C ATOM 665 C TYR A 44 0.124 -4.956 7.249 1.00 1.00 C ATOM 666 O TYR A 44 0.886 -4.055 7.603 1.00 1.00 O ATOM 667 CB TYR A 44 -2.151 -4.241 6.395 1.00 1.00 C ATOM 668 CG TYR A 44 -3.651 -4.205 6.752 1.00 1.00 C ATOM 669 CD1 TYR A 44 -4.193 -3.112 7.463 1.00 1.00 C ATOM 670 CD2 TYR A 44 -4.498 -5.272 6.385 1.00 1.00 C ATOM 671 CE1 TYR A 44 -5.557 -3.093 7.797 1.00 1.00 C ATOM 672 CE2 TYR A 44 -5.858 -5.242 6.720 1.00 1.00 C ATOM 673 CZ TYR A 44 -6.386 -4.156 7.424 1.00 1.00 C ATOM 674 OH TYR A 44 -7.726 -4.134 7.753 1.00 1.00 O ATOM 0 H TYR A 44 -1.167 -3.259 8.837 1.00 1.00 H new ATOM 0 HA TYR A 44 -1.723 -5.942 7.671 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -1.777 -3.230 6.230 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -1.996 -4.793 5.468 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -3.557 -2.288 7.751 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -4.096 -6.116 5.843 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -5.967 -2.256 8.343 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -6.501 -6.061 6.433 1.00 1.00 H new ATOM 0 HH TYR A 44 -8.262 -4.327 6.956 1.00 1.00 H new ATOM 684 N TYR A 45 0.531 -6.027 6.576 1.00 1.00 N ATOM 685 CA TYR A 45 1.964 -6.212 6.219 1.00 1.00 C ATOM 686 C TYR A 45 2.228 -5.665 4.823 1.00 1.00 C ATOM 687 O TYR A 45 1.918 -6.301 3.814 1.00 1.00 O ATOM 688 CB TYR A 45 2.360 -7.710 6.280 1.00 1.00 C ATOM 689 CG TYR A 45 3.898 -7.881 6.390 1.00 1.00 C ATOM 690 CD1 TYR A 45 4.716 -7.656 5.265 1.00 1.00 C ATOM 691 CD2 TYR A 45 4.499 -8.270 7.608 1.00 1.00 C ATOM 692 CE1 TYR A 45 6.106 -7.822 5.355 1.00 1.00 C ATOM 693 CE2 TYR A 45 5.891 -8.436 7.687 1.00 1.00 C ATOM 694 CZ TYR A 45 6.691 -8.213 6.563 1.00 1.00 C ATOM 695 OH TYR A 45 8.061 -8.378 6.649 1.00 1.00 O ATOM 0 H TYR A 45 -0.086 -6.777 6.264 1.00 1.00 H new ATOM 0 HA TYR A 45 2.569 -5.665 6.942 1.00 1.00 H new ATOM 0 HB2 TYR A 45 1.877 -8.182 7.136 1.00 1.00 H new ATOM 0 HB3 TYR A 45 1.998 -8.221 5.388 1.00 1.00 H new ATOM 0 HD1 TYR A 45 4.271 -7.354 4.329 1.00 1.00 H new ATOM 0 HD2 TYR A 45 3.886 -8.440 8.481 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.726 -7.647 4.488 1.00 1.00 H new ATOM 0 HE2 TYR A 45 6.345 -8.737 8.620 1.00 1.00 H new ATOM 0 HH TYR A 45 8.501 -7.818 5.976 1.00 1.00 H new ATOM 705 N ILE A 46 2.829 -4.481 4.779 1.00 1.00 N ATOM 706 CA ILE A 46 3.162 -3.799 3.515 1.00 1.00 C ATOM 707 C ILE A 46 4.685 -3.780 3.321 1.00 1.00 C ATOM 708 O ILE A 46 5.449 -3.543 4.257 1.00 1.00 O ATOM 709 CB ILE A 46 2.611 -2.341 3.567 1.00 1.00 C ATOM 710 CG1 ILE A 46 1.095 -2.349 3.954 1.00 1.00 C ATOM 711 CG2 ILE A 46 2.806 -1.631 2.202 1.00 1.00 C ATOM 712 CD1 ILE A 46 0.232 -3.203 2.995 1.00 1.00 C ATOM 0 H ILE A 46 3.102 -3.960 5.612 1.00 1.00 H new ATOM 0 HA ILE A 46 2.710 -4.330 2.677 1.00 1.00 H new ATOM 0 HB ILE A 46 3.169 -1.792 4.326 1.00 1.00 H new ATOM 0 HG12 ILE A 46 0.987 -2.731 4.969 1.00 1.00 H new ATOM 0 HG13 ILE A 46 0.721 -1.325 3.957 1.00 1.00 H new ATOM 0 HG21 ILE A 46 2.415 -0.615 2.261 1.00 1.00 H new ATOM 0 HG22 ILE A 46 3.868 -1.597 1.958 1.00 1.00 H new ATOM 0 HG23 ILE A 46 2.273 -2.181 1.426 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -0.809 -3.169 3.315 1.00 1.00 H new ATOM 0 HD12 ILE A 46 0.313 -2.807 1.983 1.00 1.00 H new ATOM 0 HD13 ILE A 46 0.583 -4.235 3.011 1.00 1.00 H new ATOM 724 N HIS A 47 5.124 -4.017 2.090 1.00 1.00 N ATOM 725 CA HIS A 47 6.559 -4.009 1.745 1.00 1.00 C ATOM 726 C HIS A 47 6.751 -3.368 0.364 1.00 1.00 C ATOM 727 O HIS A 47 6.014 -3.655 -0.580 1.00 1.00 O ATOM 728 CB HIS A 47 7.112 -5.448 1.759 1.00 1.00 C ATOM 729 CG HIS A 47 6.367 -6.299 0.767 1.00 1.00 C ATOM 730 ND1 HIS A 47 6.965 -6.778 -0.386 1.00 1.00 N ATOM 731 CD2 HIS A 47 5.078 -6.753 0.741 1.00 1.00 C ATOM 732 CE1 HIS A 47 6.040 -7.485 -1.056 1.00 1.00 C ATOM 733 NE2 HIS A 47 4.869 -7.502 -0.414 1.00 1.00 N ATOM 0 H HIS A 47 4.509 -4.220 1.302 1.00 1.00 H new ATOM 0 HA HIS A 47 7.108 -3.424 2.483 1.00 1.00 H new ATOM 0 HB2 HIS A 47 8.175 -5.440 1.517 1.00 1.00 H new ATOM 0 HB3 HIS A 47 7.016 -5.873 2.758 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.335 -6.560 1.501 1.00 1.00 H new ATOM 0 HE1 HIS A 47 6.221 -7.979 -1.999 1.00 1.00 H new ATOM 0 HE2 HIS A 47 4.008 -7.964 -0.707 1.00 1.00 H new ATOM 742 N TYR A 48 7.751 -2.501 0.240 1.00 1.00 N ATOM 743 CA TYR A 48 8.033 -1.818 -1.027 1.00 1.00 C ATOM 744 C TYR A 48 8.709 -2.786 -2.013 1.00 1.00 C ATOM 745 O TYR A 48 9.636 -3.515 -1.661 1.00 1.00 O ATOM 746 CB TYR A 48 8.936 -0.600 -0.746 1.00 1.00 C ATOM 747 CG TYR A 48 8.217 0.349 0.230 1.00 1.00 C ATOM 748 CD1 TYR A 48 7.366 1.363 -0.256 1.00 1.00 C ATOM 749 CD2 TYR A 48 8.391 0.207 1.622 1.00 1.00 C ATOM 750 CE1 TYR A 48 6.706 2.220 0.636 1.00 1.00 C ATOM 751 CE2 TYR A 48 7.725 1.067 2.508 1.00 1.00 C ATOM 752 CZ TYR A 48 6.887 2.072 2.015 1.00 1.00 C ATOM 753 OH TYR A 48 6.236 2.916 2.891 1.00 1.00 O ATOM 0 H TYR A 48 8.383 -2.251 1.001 1.00 1.00 H new ATOM 0 HA TYR A 48 7.102 -1.477 -1.480 1.00 1.00 H new ATOM 0 HB2 TYR A 48 9.885 -0.926 -0.322 1.00 1.00 H new ATOM 0 HB3 TYR A 48 9.165 -0.080 -1.676 1.00 1.00 H new ATOM 0 HD1 TYR A 48 7.222 1.480 -1.320 1.00 1.00 H new ATOM 0 HD2 TYR A 48 9.039 -0.566 2.007 1.00 1.00 H new ATOM 0 HE1 TYR A 48 6.057 2.996 0.258 1.00 1.00 H new ATOM 0 HE2 TYR A 48 7.860 0.953 3.573 1.00 1.00 H new ATOM 0 HH TYR A 48 5.353 3.142 2.532 1.00 1.00 H new ATOM 763 N ALA A 49 8.232 -2.796 -3.253 1.00 1.00 N ATOM 764 CA ALA A 49 8.777 -3.681 -4.294 1.00 1.00 C ATOM 765 C ALA A 49 10.190 -3.244 -4.700 1.00 1.00 C ATOM 766 O ALA A 49 10.459 -2.054 -4.870 1.00 1.00 O ATOM 767 CB ALA A 49 7.846 -3.648 -5.522 1.00 1.00 C ATOM 0 H ALA A 49 7.466 -2.201 -3.569 1.00 1.00 H new ATOM 0 HA ALA A 49 8.836 -4.695 -3.899 1.00 1.00 H new ATOM 0 HB1 ALA A 49 8.244 -4.302 -6.298 1.00 1.00 H new ATOM 0 HB2 ALA A 49 6.852 -3.990 -5.234 1.00 1.00 H new ATOM 0 HB3 ALA A 49 7.783 -2.629 -5.904 1.00 1.00 H new ATOM 773 N GLY A 50 11.094 -4.206 -4.871 1.00 1.00 N ATOM 774 CA GLY A 50 12.484 -3.930 -5.270 1.00 1.00 C ATOM 775 C GLY A 50 13.357 -3.602 -4.063 1.00 1.00 C ATOM 776 O GLY A 50 14.510 -3.197 -4.212 1.00 1.00 O ATOM 0 H GLY A 50 10.891 -5.197 -4.739 1.00 1.00 H new ATOM 0 HA2 GLY A 50 12.893 -4.795 -5.792 1.00 1.00 H new ATOM 0 HA3 GLY A 50 12.504 -3.096 -5.972 1.00 1.00 H new ATOM 780 N TRP A 51 12.815 -3.784 -2.864 1.00 1.00 N ATOM 781 CA TRP A 51 13.548 -3.501 -1.601 1.00 1.00 C ATOM 782 C TRP A 51 13.447 -4.680 -0.631 1.00 1.00 C ATOM 783 O TRP A 51 12.650 -5.603 -0.807 1.00 1.00 O ATOM 784 CB TRP A 51 12.958 -2.230 -0.954 1.00 1.00 C ATOM 785 CG TRP A 51 13.139 -1.061 -1.892 1.00 1.00 C ATOM 786 CD1 TRP A 51 12.185 -0.546 -2.707 1.00 1.00 C ATOM 787 CD2 TRP A 51 14.338 -0.266 -2.121 1.00 1.00 C ATOM 788 NE1 TRP A 51 12.721 0.512 -3.414 1.00 1.00 N ATOM 789 CE2 TRP A 51 14.047 0.725 -3.088 1.00 1.00 C ATOM 790 CE3 TRP A 51 15.637 -0.306 -1.585 1.00 1.00 C ATOM 791 CZ2 TRP A 51 15.010 1.640 -3.513 1.00 1.00 C ATOM 792 CZ3 TRP A 51 16.611 0.613 -2.009 1.00 1.00 C ATOM 793 CH2 TRP A 51 16.297 1.586 -2.969 1.00 1.00 C ATOM 0 H TRP A 51 11.865 -4.128 -2.723 1.00 1.00 H new ATOM 0 HA TRP A 51 14.603 -3.347 -1.830 1.00 1.00 H new ATOM 0 HB2 TRP A 51 11.900 -2.376 -0.737 1.00 1.00 H new ATOM 0 HB3 TRP A 51 13.453 -2.029 -0.004 1.00 1.00 H new ATOM 0 HD1 TRP A 51 11.170 -0.905 -2.790 1.00 1.00 H new ATOM 0 HE1 TRP A 51 12.202 1.068 -4.094 1.00 1.00 H new ATOM 0 HE3 TRP A 51 15.888 -1.049 -0.842 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 14.764 2.384 -4.256 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 17.607 0.570 -1.594 1.00 1.00 H new ATOM 0 HH2 TRP A 51 17.049 2.293 -3.288 1.00 1.00 H new ATOM 804 N SER A 52 14.279 -4.646 0.404 1.00 1.00 N ATOM 805 CA SER A 52 14.303 -5.711 1.415 1.00 1.00 C ATOM 806 C SER A 52 12.966 -5.778 2.164 1.00 1.00 C ATOM 807 O SER A 52 12.441 -4.753 2.600 1.00 1.00 O ATOM 808 CB SER A 52 15.432 -5.441 2.420 1.00 1.00 C ATOM 809 OG SER A 52 15.436 -6.465 3.407 1.00 1.00 O ATOM 0 H SER A 52 14.948 -3.894 0.570 1.00 1.00 H new ATOM 0 HA SER A 52 14.472 -6.662 0.911 1.00 1.00 H new ATOM 0 HB2 SER A 52 16.393 -5.411 1.906 1.00 1.00 H new ATOM 0 HB3 SER A 52 15.292 -4.467 2.890 1.00 1.00 H new ATOM 0 HG SER A 52 16.157 -6.297 4.050 1.00 1.00 H new ATOM 815 N LYS A 53 12.427 -6.982 2.318 1.00 1.00 N ATOM 816 CA LYS A 53 11.148 -7.204 3.010 1.00 1.00 C ATOM 817 C LYS A 53 11.353 -7.305 4.524 1.00 1.00 C ATOM 818 O LYS A 53 10.389 -7.291 5.290 1.00 1.00 O ATOM 819 CB LYS A 53 10.505 -8.500 2.470 1.00 1.00 C ATOM 820 CG LYS A 53 10.219 -8.351 0.954 1.00 1.00 C ATOM 821 CD LYS A 53 9.557 -9.635 0.406 1.00 1.00 C ATOM 822 CE LYS A 53 9.234 -9.469 -1.090 1.00 1.00 C ATOM 823 NZ LYS A 53 10.498 -9.251 -1.847 1.00 1.00 N ATOM 0 H LYS A 53 12.859 -7.837 1.969 1.00 1.00 H new ATOM 0 HA LYS A 53 10.489 -6.357 2.821 1.00 1.00 H new ATOM 0 HB2 LYS A 53 11.170 -9.346 2.643 1.00 1.00 H new ATOM 0 HB3 LYS A 53 9.579 -8.708 3.006 1.00 1.00 H new ATOM 0 HG2 LYS A 53 9.566 -7.495 0.782 1.00 1.00 H new ATOM 0 HG3 LYS A 53 11.148 -8.156 0.419 1.00 1.00 H new ATOM 0 HD2 LYS A 53 10.223 -10.486 0.550 1.00 1.00 H new ATOM 0 HD3 LYS A 53 8.644 -9.848 0.961 1.00 1.00 H new ATOM 0 HE2 LYS A 53 8.722 -10.356 -1.463 1.00 1.00 H new ATOM 0 HE3 LYS A 53 8.559 -8.626 -1.236 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 10.331 -9.424 -2.859 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 10.819 -8.271 -1.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 11.228 -9.905 -1.500 1.00 1.00 H new ATOM 837 N ASN A 54 12.601 -7.408 4.967 1.00 1.00 N ATOM 838 CA ASN A 54 12.919 -7.516 6.395 1.00 1.00 C ATOM 839 C ASN A 54 12.591 -6.208 7.115 1.00 1.00 C ATOM 840 O ASN A 54 12.607 -6.144 8.344 1.00 1.00 O ATOM 841 CB ASN A 54 14.414 -7.866 6.567 1.00 1.00 C ATOM 842 CG ASN A 54 14.762 -8.094 8.043 1.00 1.00 C ATOM 843 OD1 ASN A 54 15.513 -7.316 8.631 1.00 1.00 O ATOM 844 ND2 ASN A 54 14.254 -9.118 8.672 1.00 1.00 N ATOM 0 H ASN A 54 13.418 -7.419 4.356 1.00 1.00 H new ATOM 0 HA ASN A 54 12.314 -8.308 6.836 1.00 1.00 H new ATOM 0 HB2 ASN A 54 14.649 -8.762 5.992 1.00 1.00 H new ATOM 0 HB3 ASN A 54 15.028 -7.060 6.166 1.00 1.00 H new ATOM 0 HD21 ASN A 54 14.479 -9.276 9.654 1.00 1.00 H new ATOM 0 HD22 ASN A 54 13.632 -9.761 8.181 1.00 1.00 H new ATOM 851 N TRP A 55 12.292 -5.164 6.348 1.00 1.00 N ATOM 852 CA TRP A 55 11.958 -3.852 6.911 1.00 1.00 C ATOM 853 C TRP A 55 10.618 -3.930 7.647 1.00 1.00 C ATOM 854 O TRP A 55 10.361 -3.157 8.569 1.00 1.00 O ATOM 855 CB TRP A 55 11.896 -2.806 5.774 1.00 1.00 C ATOM 856 CG TRP A 55 11.721 -1.419 6.327 1.00 1.00 C ATOM 857 CD1 TRP A 55 10.570 -0.920 6.831 1.00 1.00 C ATOM 858 CD2 TRP A 55 12.710 -0.351 6.431 1.00 1.00 C ATOM 859 NE1 TRP A 55 10.788 0.384 7.240 1.00 1.00 N ATOM 860 CE2 TRP A 55 12.091 0.780 7.014 1.00 1.00 C ATOM 861 CE3 TRP A 55 14.068 -0.257 6.082 1.00 1.00 C ATOM 862 CZ2 TRP A 55 12.794 1.964 7.241 1.00 1.00 C ATOM 863 CZ3 TRP A 55 14.781 0.934 6.308 1.00 1.00 C ATOM 864 CH2 TRP A 55 14.144 2.042 6.887 1.00 1.00 C ATOM 0 H TRP A 55 12.273 -5.198 5.329 1.00 1.00 H new ATOM 0 HA TRP A 55 12.726 -3.551 7.624 1.00 1.00 H new ATOM 0 HB2 TRP A 55 12.810 -2.853 5.182 1.00 1.00 H new ATOM 0 HB3 TRP A 55 11.069 -3.041 5.103 1.00 1.00 H new ATOM 0 HD1 TRP A 55 9.633 -1.452 6.903 1.00 1.00 H new ATOM 0 HE1 TRP A 55 10.073 0.980 7.658 1.00 1.00 H new ATOM 0 HE3 TRP A 55 14.567 -1.105 5.637 1.00 1.00 H new ATOM 0 HZ2 TRP A 55 12.299 2.814 7.687 1.00 1.00 H new ATOM 0 HZ3 TRP A 55 15.824 0.996 6.035 1.00 1.00 H new ATOM 0 HH2 TRP A 55 14.696 2.954 7.059 1.00 1.00 H new ATOM 875 N ASP A 56 9.768 -4.864 7.231 1.00 1.00 N ATOM 876 CA ASP A 56 8.441 -5.088 7.833 1.00 1.00 C ATOM 877 C ASP A 56 7.695 -3.772 8.132 1.00 1.00 C ATOM 878 O ASP A 56 7.584 -3.368 9.289 1.00 1.00 O ATOM 879 CB ASP A 56 8.606 -5.906 9.136 1.00 1.00 C ATOM 880 CG ASP A 56 9.319 -7.234 8.863 1.00 1.00 C ATOM 881 OD1 ASP A 56 10.121 -7.287 7.943 1.00 1.00 O ATOM 882 OD2 ASP A 56 9.055 -8.179 9.589 1.00 1.00 O ATOM 0 H ASP A 56 9.975 -5.498 6.459 1.00 1.00 H new ATOM 0 HA ASP A 56 7.838 -5.637 7.110 1.00 1.00 H new ATOM 0 HB2 ASP A 56 9.174 -5.327 9.864 1.00 1.00 H new ATOM 0 HB3 ASP A 56 7.627 -6.098 9.576 1.00 1.00 H new ATOM 887 N GLU A 57 7.180 -3.097 7.107 1.00 1.00 N ATOM 888 CA GLU A 57 6.462 -1.825 7.305 1.00 1.00 C ATOM 889 C GLU A 57 5.002 -2.090 7.693 1.00 1.00 C ATOM 890 O GLU A 57 4.104 -2.084 6.850 1.00 1.00 O ATOM 891 CB GLU A 57 6.542 -0.970 6.007 1.00 1.00 C ATOM 892 CG GLU A 57 6.030 0.481 6.229 1.00 1.00 C ATOM 893 CD GLU A 57 6.950 1.272 7.169 1.00 1.00 C ATOM 894 OE1 GLU A 57 8.108 0.902 7.293 1.00 1.00 O ATOM 895 OE2 GLU A 57 6.480 2.239 7.744 1.00 1.00 O ATOM 0 H GLU A 57 7.242 -3.401 6.135 1.00 1.00 H new ATOM 0 HA GLU A 57 6.932 -1.272 8.118 1.00 1.00 H new ATOM 0 HB2 GLU A 57 7.574 -0.940 5.656 1.00 1.00 H new ATOM 0 HB3 GLU A 57 5.953 -1.446 5.223 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.963 0.994 5.269 1.00 1.00 H new ATOM 0 HG3 GLU A 57 5.023 0.452 6.646 1.00 1.00 H new ATOM 902 N TRP A 58 4.759 -2.296 8.983 1.00 1.00 N ATOM 903 CA TRP A 58 3.408 -2.542 9.519 1.00 1.00 C ATOM 904 C TRP A 58 2.686 -1.192 9.660 1.00 1.00 C ATOM 905 O TRP A 58 3.127 -0.308 10.395 1.00 1.00 O ATOM 906 CB TRP A 58 3.517 -3.256 10.919 1.00 1.00 C ATOM 907 CG TRP A 58 3.464 -4.761 10.792 1.00 1.00 C ATOM 908 CD1 TRP A 58 2.412 -5.457 10.302 1.00 1.00 C ATOM 909 CD2 TRP A 58 4.468 -5.752 11.168 1.00 1.00 C ATOM 910 NE1 TRP A 58 2.706 -6.807 10.347 1.00 1.00 N ATOM 911 CE2 TRP A 58 3.960 -7.042 10.871 1.00 1.00 C ATOM 912 CE3 TRP A 58 5.756 -5.664 11.730 1.00 1.00 C ATOM 913 CZ2 TRP A 58 4.698 -8.201 11.123 1.00 1.00 C ATOM 914 CZ3 TRP A 58 6.505 -6.828 11.983 1.00 1.00 C ATOM 915 CH2 TRP A 58 5.977 -8.093 11.680 1.00 1.00 C ATOM 0 H TRP A 58 5.489 -2.299 9.695 1.00 1.00 H new ATOM 0 HA TRP A 58 2.845 -3.188 8.846 1.00 1.00 H new ATOM 0 HB2 TRP A 58 4.450 -2.966 11.403 1.00 1.00 H new ATOM 0 HB3 TRP A 58 2.705 -2.918 11.563 1.00 1.00 H new ATOM 0 HD1 TRP A 58 1.492 -5.027 9.935 1.00 1.00 H new ATOM 0 HE1 TRP A 58 2.072 -7.541 10.031 1.00 1.00 H new ATOM 0 HE3 TRP A 58 6.172 -4.696 11.969 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 4.285 -9.171 10.890 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 7.492 -6.748 12.413 1.00 1.00 H new ATOM 0 HH2 TRP A 58 6.558 -8.982 11.877 1.00 1.00 H new ATOM 926 N VAL A 59 1.567 -1.031 8.961 1.00 1.00 N ATOM 927 CA VAL A 59 0.802 0.253 9.024 1.00 1.00 C ATOM 928 C VAL A 59 -0.734 0.031 8.926 1.00 1.00 C ATOM 929 O VAL A 59 -1.173 -0.918 8.276 1.00 1.00 O ATOM 930 CB VAL A 59 1.268 1.206 7.868 1.00 1.00 C ATOM 931 CG1 VAL A 59 2.650 1.831 8.181 1.00 1.00 C ATOM 932 CG2 VAL A 59 1.344 0.421 6.537 1.00 1.00 C ATOM 0 H VAL A 59 1.161 -1.742 8.353 1.00 1.00 H new ATOM 0 HA VAL A 59 1.009 0.706 9.993 1.00 1.00 H new ATOM 0 HB VAL A 59 0.539 2.011 7.779 1.00 1.00 H new ATOM 0 HG11 VAL A 59 2.947 2.486 7.362 1.00 1.00 H new ATOM 0 HG12 VAL A 59 2.588 2.408 9.104 1.00 1.00 H new ATOM 0 HG13 VAL A 59 3.390 1.039 8.298 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.668 1.089 5.739 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.057 -0.397 6.637 1.00 1.00 H new ATOM 0 HG23 VAL A 59 0.360 0.018 6.296 1.00 1.00 H new ATOM 942 N PRO A 60 -1.521 0.886 9.520 1.00 1.00 N ATOM 943 CA PRO A 60 -3.024 0.759 9.447 1.00 1.00 C ATOM 944 C PRO A 60 -3.566 1.154 8.061 1.00 1.00 C ATOM 945 O PRO A 60 -2.875 1.740 7.228 1.00 1.00 O ATOM 946 CB PRO A 60 -3.511 1.720 10.561 1.00 1.00 C ATOM 947 CG PRO A 60 -2.496 2.823 10.521 1.00 1.00 C ATOM 948 CD PRO A 60 -1.151 2.094 10.339 1.00 1.00 C ATOM 0 HA PRO A 60 -3.374 -0.263 9.589 1.00 1.00 H new ATOM 0 HB2 PRO A 60 -4.517 2.090 10.364 1.00 1.00 H new ATOM 0 HB3 PRO A 60 -3.537 1.230 11.534 1.00 1.00 H new ATOM 0 HG2 PRO A 60 -2.690 3.512 9.699 1.00 1.00 H new ATOM 0 HG3 PRO A 60 -2.510 3.410 11.439 1.00 1.00 H new ATOM 0 HD2 PRO A 60 -0.420 2.720 9.826 1.00 1.00 H new ATOM 0 HD3 PRO A 60 -0.713 1.812 11.297 1.00 1.00 H new ATOM 956 N GLU A 61 -4.830 0.818 7.823 1.00 1.00 N ATOM 957 CA GLU A 61 -5.496 1.123 6.541 1.00 1.00 C ATOM 958 C GLU A 61 -5.306 2.603 6.134 1.00 1.00 C ATOM 959 O GLU A 61 -5.313 2.947 4.952 1.00 1.00 O ATOM 960 CB GLU A 61 -7.000 0.794 6.677 1.00 1.00 C ATOM 961 CG GLU A 61 -7.752 0.982 5.335 1.00 1.00 C ATOM 962 CD GLU A 61 -9.232 0.599 5.476 1.00 1.00 C ATOM 963 OE1 GLU A 61 -9.695 0.445 6.597 1.00 1.00 O ATOM 964 OE2 GLU A 61 -9.884 0.472 4.452 1.00 1.00 O ATOM 0 H GLU A 61 -5.423 0.333 8.497 1.00 1.00 H new ATOM 0 HA GLU A 61 -5.044 0.515 5.757 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -7.118 -0.234 7.019 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -7.446 1.436 7.437 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -7.670 2.019 5.010 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -7.286 0.369 4.564 1.00 1.00 H new ATOM 971 N ASN A 62 -5.137 3.475 7.123 1.00 1.00 N ATOM 972 CA ASN A 62 -4.965 4.917 6.865 1.00 1.00 C ATOM 973 C ASN A 62 -3.792 5.198 5.898 1.00 1.00 C ATOM 974 O ASN A 62 -3.870 6.118 5.084 1.00 1.00 O ATOM 975 CB ASN A 62 -4.755 5.664 8.199 1.00 1.00 C ATOM 976 CG ASN A 62 -4.765 7.181 7.991 1.00 1.00 C ATOM 977 OD1 ASN A 62 -3.745 7.764 7.625 1.00 1.00 O ATOM 978 ND2 ASN A 62 -5.863 7.852 8.207 1.00 1.00 N ATOM 0 H ASN A 62 -5.114 3.218 8.110 1.00 1.00 H new ATOM 0 HA ASN A 62 -5.872 5.281 6.383 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -5.540 5.385 8.902 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -3.807 5.361 8.643 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -5.878 8.863 8.073 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -6.707 7.366 8.510 1.00 1.00 H new ATOM 985 N ARG A 63 -2.722 4.415 5.977 1.00 1.00 N ATOM 986 CA ARG A 63 -1.535 4.603 5.096 1.00 1.00 C ATOM 987 C ARG A 63 -1.674 3.792 3.797 1.00 1.00 C ATOM 988 O ARG A 63 -0.842 3.894 2.895 1.00 1.00 O ATOM 989 CB ARG A 63 -0.235 4.169 5.851 1.00 1.00 C ATOM 990 CG ARG A 63 1.058 4.867 5.262 1.00 1.00 C ATOM 991 CD ARG A 63 1.334 6.220 5.962 1.00 1.00 C ATOM 992 NE ARG A 63 1.721 5.976 7.360 1.00 1.00 N ATOM 993 CZ ARG A 63 2.928 5.495 7.691 1.00 1.00 C ATOM 994 NH1 ARG A 63 3.836 5.286 6.772 1.00 1.00 N ATOM 995 NH2 ARG A 63 3.204 5.238 8.941 1.00 1.00 N ATOM 0 H ARG A 63 -2.635 3.641 6.635 1.00 1.00 H new ATOM 0 HA ARG A 63 -1.471 5.660 4.836 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -0.330 4.417 6.908 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -0.123 3.087 5.786 1.00 1.00 H new ATOM 0 HG2 ARG A 63 1.918 4.209 5.386 1.00 1.00 H new ATOM 0 HG3 ARG A 63 0.931 5.028 4.191 1.00 1.00 H new ATOM 0 HD2 ARG A 63 2.128 6.756 5.442 1.00 1.00 H new ATOM 0 HD3 ARG A 63 0.445 6.850 5.924 1.00 1.00 H new ATOM 0 HE ARG A 63 1.050 6.179 8.101 1.00 1.00 H new ATOM 0 HH11 ARG A 63 3.628 5.489 5.794 1.00 1.00 H new ATOM 0 HH12 ARG A 63 4.751 4.920 7.033 1.00 1.00 H new ATOM 0 HH21 ARG A 63 2.502 5.403 9.663 1.00 1.00 H new ATOM 0 HH22 ARG A 63 4.121 4.872 9.196 1.00 1.00 H new ATOM 1009 N VAL A 64 -2.725 2.985 3.700 1.00 1.00 N ATOM 1010 CA VAL A 64 -2.968 2.121 2.513 1.00 1.00 C ATOM 1011 C VAL A 64 -4.261 2.540 1.805 1.00 1.00 C ATOM 1012 O VAL A 64 -5.256 2.901 2.435 1.00 1.00 O ATOM 1013 CB VAL A 64 -3.063 0.632 2.964 1.00 1.00 C ATOM 1014 CG1 VAL A 64 -3.168 -0.310 1.736 1.00 1.00 C ATOM 1015 CG2 VAL A 64 -1.808 0.259 3.788 1.00 1.00 C ATOM 0 H VAL A 64 -3.436 2.899 4.426 1.00 1.00 H new ATOM 0 HA VAL A 64 -2.139 2.234 1.814 1.00 1.00 H new ATOM 0 HB VAL A 64 -3.958 0.513 3.574 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -3.233 -1.344 2.075 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -4.059 -0.060 1.161 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -2.285 -0.189 1.108 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -1.876 -0.782 4.103 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -0.917 0.396 3.176 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -1.746 0.900 4.667 1.00 1.00 H new ATOM 1025 N LEU A 65 -4.249 2.494 0.477 1.00 1.00 N ATOM 1026 CA LEU A 65 -5.425 2.861 -0.345 1.00 1.00 C ATOM 1027 C LEU A 65 -5.661 1.823 -1.444 1.00 1.00 C ATOM 1028 O LEU A 65 -4.766 1.077 -1.840 1.00 1.00 O ATOM 1029 CB LEU A 65 -5.234 4.272 -0.974 1.00 1.00 C ATOM 1030 CG LEU A 65 -3.929 4.373 -1.885 1.00 1.00 C ATOM 1031 CD1 LEU A 65 -4.263 5.042 -3.245 1.00 1.00 C ATOM 1032 CD2 LEU A 65 -2.835 5.215 -1.171 1.00 1.00 C ATOM 0 H LEU A 65 -3.437 2.205 -0.068 1.00 1.00 H new ATOM 0 HA LEU A 65 -6.299 2.884 0.306 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -6.110 4.519 -1.574 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -5.174 5.014 -0.178 1.00 1.00 H new ATOM 0 HG LEU A 65 -3.562 3.361 -2.057 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -3.360 5.102 -3.852 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -5.013 4.449 -3.768 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -4.651 6.046 -3.071 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.950 5.275 -1.805 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -3.214 6.219 -0.982 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -2.572 4.742 -0.225 1.00 1.00 H new ATOM 1044 N LYS A 66 -6.890 1.790 -1.952 1.00 1.00 N ATOM 1045 CA LYS A 66 -7.300 0.860 -3.003 1.00 1.00 C ATOM 1046 C LYS A 66 -6.644 1.230 -4.340 1.00 1.00 C ATOM 1047 O LYS A 66 -6.521 2.410 -4.668 1.00 1.00 O ATOM 1048 CB LYS A 66 -8.846 0.955 -3.115 1.00 1.00 C ATOM 1049 CG LYS A 66 -9.541 0.482 -1.768 1.00 1.00 C ATOM 1050 CD LYS A 66 -10.819 1.314 -1.475 1.00 1.00 C ATOM 1051 CE LYS A 66 -11.484 0.844 -0.165 1.00 1.00 C ATOM 1052 NZ LYS A 66 -11.941 -0.564 -0.318 1.00 1.00 N ATOM 0 H LYS A 66 -7.637 2.413 -1.644 1.00 1.00 H new ATOM 0 HA LYS A 66 -6.989 -0.156 -2.760 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -9.136 1.982 -3.338 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -9.193 0.339 -3.944 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -9.800 -0.574 -1.840 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -8.840 0.582 -0.939 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -10.562 2.371 -1.400 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -11.522 1.214 -2.302 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -10.778 0.921 0.662 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -12.330 1.488 0.077 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -12.927 -0.646 0.002 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -11.878 -0.843 -1.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -11.338 -1.189 0.255 1.00 1.00 H new ATOM 1066 N TYR A 67 -6.234 0.223 -5.105 1.00 1.00 N ATOM 1067 CA TYR A 67 -5.603 0.447 -6.414 1.00 1.00 C ATOM 1068 C TYR A 67 -6.689 0.727 -7.463 1.00 1.00 C ATOM 1069 O TYR A 67 -7.623 -0.055 -7.647 1.00 1.00 O ATOM 1070 CB TYR A 67 -4.778 -0.796 -6.827 1.00 1.00 C ATOM 1071 CG TYR A 67 -4.060 -0.551 -8.173 1.00 1.00 C ATOM 1072 CD1 TYR A 67 -4.727 -0.804 -9.388 1.00 1.00 C ATOM 1073 CD2 TYR A 67 -2.733 -0.066 -8.202 1.00 1.00 C ATOM 1074 CE1 TYR A 67 -4.077 -0.577 -10.610 1.00 1.00 C ATOM 1075 CE2 TYR A 67 -2.092 0.158 -9.429 1.00 1.00 C ATOM 1076 CZ TYR A 67 -2.762 -0.097 -10.628 1.00 1.00 C ATOM 1077 OH TYR A 67 -2.128 0.124 -11.834 1.00 1.00 O ATOM 0 H TYR A 67 -6.325 -0.759 -4.846 1.00 1.00 H new ATOM 0 HA TYR A 67 -4.934 1.305 -6.348 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -4.044 -1.025 -6.054 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -5.434 -1.663 -6.911 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -5.742 -1.174 -9.378 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -2.211 0.133 -7.277 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -4.592 -0.773 -11.539 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -1.078 0.529 -9.447 1.00 1.00 H new ATOM 0 HH TYR A 67 -1.221 0.458 -11.671 1.00 1.00 H new ATOM 1087 N ASN A 68 -6.550 1.845 -8.169 1.00 1.00 N ATOM 1088 CA ASN A 68 -7.529 2.232 -9.203 1.00 1.00 C ATOM 1089 C ASN A 68 -6.858 3.070 -10.284 1.00 1.00 C ATOM 1090 O ASN A 68 -5.825 3.696 -10.044 1.00 1.00 O ATOM 1091 CB ASN A 68 -8.668 3.035 -8.543 1.00 1.00 C ATOM 1092 CG ASN A 68 -9.365 2.184 -7.477 1.00 1.00 C ATOM 1093 OD1 ASN A 68 -10.010 1.188 -7.804 1.00 1.00 O ATOM 1094 ND2 ASN A 68 -9.270 2.515 -6.215 1.00 1.00 N ATOM 0 H ASN A 68 -5.778 2.501 -8.052 1.00 1.00 H new ATOM 0 HA ASN A 68 -7.935 1.334 -9.669 1.00 1.00 H new ATOM 0 HB2 ASN A 68 -8.268 3.943 -8.090 1.00 1.00 H new ATOM 0 HB3 ASN A 68 -9.389 3.347 -9.299 1.00 1.00 H new ATOM 0 HD21 ASN A 68 -9.730 1.948 -5.503 1.00 1.00 H new ATOM 0 HD22 ASN A 68 -8.736 3.340 -5.943 1.00 1.00 H new ATOM 1101 N ASP A 69 -7.457 3.074 -11.470 1.00 1.00 N ATOM 1102 CA ASP A 69 -6.935 3.828 -12.602 1.00 1.00 C ATOM 1103 C ASP A 69 -6.958 5.334 -12.308 1.00 1.00 C ATOM 1104 O ASP A 69 -6.253 6.101 -12.961 1.00 1.00 O ATOM 1105 CB ASP A 69 -7.783 3.524 -13.858 1.00 1.00 C ATOM 1106 CG ASP A 69 -9.258 3.830 -13.591 1.00 1.00 C ATOM 1107 OD1 ASP A 69 -9.759 3.383 -12.571 1.00 1.00 O ATOM 1108 OD2 ASP A 69 -9.865 4.505 -14.407 1.00 1.00 O ATOM 0 H ASP A 69 -8.313 2.558 -11.672 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.902 3.529 -12.777 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -7.427 4.121 -14.698 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -7.667 2.477 -14.139 1.00 1.00 H new ATOM 1113 N ASP A 70 -7.779 5.760 -11.354 1.00 1.00 N ATOM 1114 CA ASP A 70 -7.902 7.182 -10.973 1.00 1.00 C ATOM 1115 C ASP A 70 -6.922 7.540 -9.845 1.00 1.00 C ATOM 1116 O ASP A 70 -6.509 8.692 -9.719 1.00 1.00 O ATOM 1117 CB ASP A 70 -9.352 7.472 -10.520 1.00 1.00 C ATOM 1118 CG ASP A 70 -9.561 8.976 -10.281 1.00 1.00 C ATOM 1119 OD1 ASP A 70 -9.352 9.735 -11.213 1.00 1.00 O ATOM 1120 OD2 ASP A 70 -9.923 9.341 -9.173 1.00 1.00 O ATOM 0 H ASP A 70 -8.382 5.137 -10.817 1.00 1.00 H new ATOM 0 HA ASP A 70 -7.658 7.794 -11.841 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -10.052 7.119 -11.278 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -9.569 6.921 -9.605 1.00 1.00 H new ATOM 1125 N ASN A 71 -6.563 6.568 -9.012 1.00 1.00 N ATOM 1126 CA ASN A 71 -5.618 6.809 -7.900 1.00 1.00 C ATOM 1127 C ASN A 71 -4.184 6.869 -8.447 1.00 1.00 C ATOM 1128 O ASN A 71 -3.415 7.774 -8.124 1.00 1.00 O ATOM 1129 CB ASN A 71 -5.740 5.681 -6.856 1.00 1.00 C ATOM 1130 CG ASN A 71 -7.140 5.662 -6.230 1.00 1.00 C ATOM 1131 OD1 ASN A 71 -7.585 4.622 -5.749 1.00 1.00 O ATOM 1132 ND2 ASN A 71 -7.863 6.754 -6.202 1.00 1.00 N ATOM 0 H ASN A 71 -6.903 5.609 -9.076 1.00 1.00 H new ATOM 0 HA ASN A 71 -5.857 7.759 -7.422 1.00 1.00 H new ATOM 0 HB2 ASN A 71 -5.535 4.720 -7.328 1.00 1.00 H new ATOM 0 HB3 ASN A 71 -4.991 5.819 -6.076 1.00 1.00 H new ATOM 0 HD21 ASN A 71 -8.792 6.740 -5.782 1.00 1.00 H new ATOM 0 HD22 ASN A 71 -7.497 7.619 -6.600 1.00 1.00 H new ATOM 1139 N VAL A 72 -3.837 5.898 -9.284 1.00 1.00 N ATOM 1140 CA VAL A 72 -2.499 5.851 -9.887 1.00 1.00 C ATOM 1141 C VAL A 72 -2.291 7.139 -10.687 1.00 1.00 C ATOM 1142 O VAL A 72 -1.171 7.621 -10.863 1.00 1.00 O ATOM 1143 CB VAL A 72 -2.361 4.589 -10.778 1.00 1.00 C ATOM 1144 CG1 VAL A 72 -3.339 4.652 -11.981 1.00 1.00 C ATOM 1145 CG2 VAL A 72 -0.906 4.439 -11.284 1.00 1.00 C ATOM 0 H VAL A 72 -4.454 5.135 -9.563 1.00 1.00 H new ATOM 0 HA VAL A 72 -1.730 5.784 -9.118 1.00 1.00 H new ATOM 0 HB VAL A 72 -2.615 3.719 -10.172 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -3.224 3.756 -12.591 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -4.364 4.712 -11.614 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -3.118 5.533 -12.584 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -0.828 3.548 -11.907 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -0.632 5.317 -11.869 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -0.232 4.346 -10.432 1.00 1.00 H new ATOM 1155 N LYS A 73 -3.400 7.709 -11.149 1.00 1.00 N ATOM 1156 CA LYS A 73 -3.391 8.956 -11.907 1.00 1.00 C ATOM 1157 C LYS A 73 -2.907 10.087 -10.997 1.00 1.00 C ATOM 1158 O LYS A 73 -2.181 10.968 -11.456 1.00 1.00 O ATOM 1159 CB LYS A 73 -4.807 9.233 -12.463 1.00 1.00 C ATOM 1160 CG LYS A 73 -4.828 10.452 -13.425 1.00 1.00 C ATOM 1161 CD LYS A 73 -6.286 10.794 -13.866 1.00 1.00 C ATOM 1162 CE LYS A 73 -6.902 9.683 -14.750 1.00 1.00 C ATOM 1163 NZ LYS A 73 -8.179 10.180 -15.334 1.00 1.00 N ATOM 0 H LYS A 73 -4.332 7.319 -11.008 1.00 1.00 H new ATOM 0 HA LYS A 73 -2.710 8.884 -12.755 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -5.169 8.350 -12.990 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -5.492 9.413 -11.635 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -4.382 11.316 -12.932 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -4.220 10.237 -14.304 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -6.907 10.940 -12.982 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -6.287 11.736 -14.415 1.00 1.00 H new ATOM 0 HE2 LYS A 73 -6.208 9.405 -15.543 1.00 1.00 H new ATOM 0 HE3 LYS A 73 -7.083 8.787 -14.157 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 -8.600 9.439 -15.930 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 -8.839 10.425 -14.568 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 -7.991 11.024 -15.912 1.00 1.00 H new ATOM 1177 N ARG A 74 -3.276 10.061 -9.719 1.00 1.00 N ATOM 1178 CA ARG A 74 -2.848 11.093 -8.762 1.00 1.00 C ATOM 1179 C ARG A 74 -1.326 11.112 -8.695 1.00 1.00 C ATOM 1180 O ARG A 74 -0.715 12.170 -8.536 1.00 1.00 O ATOM 1181 CB ARG A 74 -3.421 10.830 -7.347 1.00 1.00 C ATOM 1182 CG ARG A 74 -4.965 10.854 -7.376 1.00 1.00 C ATOM 1183 CD ARG A 74 -5.536 10.536 -5.976 1.00 1.00 C ATOM 1184 NE ARG A 74 -5.154 11.580 -5.020 1.00 1.00 N ATOM 1185 CZ ARG A 74 -5.465 11.502 -3.718 1.00 1.00 C ATOM 1186 NH1 ARG A 74 -6.167 10.496 -3.260 1.00 1.00 N ATOM 1187 NH2 ARG A 74 -5.076 12.440 -2.898 1.00 1.00 N ATOM 0 H ARG A 74 -3.871 9.338 -9.316 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.227 12.055 -9.106 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.073 9.864 -6.981 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -3.053 11.585 -6.653 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -5.314 11.833 -7.704 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -5.333 10.126 -8.099 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -6.622 10.461 -6.028 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -5.165 9.569 -5.636 1.00 1.00 H new ATOM 0 HE ARG A 74 -4.635 12.391 -5.356 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -6.482 9.763 -3.895 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -6.399 10.445 -2.268 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -4.536 13.231 -3.248 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -5.312 12.382 -1.907 1.00 1.00 H new ATOM 1201 N ARG A 75 -0.702 9.946 -8.830 1.00 1.00 N ATOM 1202 CA ARG A 75 0.768 9.850 -8.812 1.00 1.00 C ATOM 1203 C ARG A 75 1.309 10.507 -10.082 1.00 1.00 C ATOM 1204 O ARG A 75 2.320 11.208 -10.066 1.00 1.00 O ATOM 1205 CB ARG A 75 1.223 8.370 -8.727 1.00 1.00 C ATOM 1206 CG ARG A 75 2.769 8.277 -8.574 1.00 1.00 C ATOM 1207 CD ARG A 75 3.202 6.809 -8.391 1.00 1.00 C ATOM 1208 NE ARG A 75 2.859 6.032 -9.582 1.00 1.00 N ATOM 1209 CZ ARG A 75 3.049 4.709 -9.649 1.00 1.00 C ATOM 1210 NH1 ARG A 75 3.569 4.053 -8.641 1.00 1.00 N ATOM 1211 NH2 ARG A 75 2.716 4.065 -10.733 1.00 1.00 N ATOM 0 H ARG A 75 -1.181 9.054 -8.953 1.00 1.00 H new ATOM 0 HA ARG A 75 1.159 10.362 -7.933 1.00 1.00 H new ATOM 0 HB2 ARG A 75 0.739 7.884 -7.880 1.00 1.00 H new ATOM 0 HB3 ARG A 75 0.909 7.836 -9.624 1.00 1.00 H new ATOM 0 HG2 ARG A 75 3.254 8.699 -9.454 1.00 1.00 H new ATOM 0 HG3 ARG A 75 3.093 8.868 -7.717 1.00 1.00 H new ATOM 0 HD2 ARG A 75 4.276 6.758 -8.211 1.00 1.00 H new ATOM 0 HD3 ARG A 75 2.711 6.383 -7.516 1.00 1.00 H new ATOM 0 HE ARG A 75 2.462 6.515 -10.388 1.00 1.00 H new ATOM 0 HH11 ARG A 75 3.835 4.551 -7.791 1.00 1.00 H new ATOM 0 HH12 ARG A 75 3.708 3.045 -8.706 1.00 1.00 H new ATOM 0 HH21 ARG A 75 2.314 4.570 -11.523 1.00 1.00 H new ATOM 0 HH22 ARG A 75 2.858 3.057 -10.791 1.00 1.00 H new ATOM 1225 N GLN A 76 0.621 10.269 -11.195 1.00 1.00 N ATOM 1226 CA GLN A 76 1.020 10.852 -12.488 1.00 1.00 C ATOM 1227 C GLN A 76 0.872 12.381 -12.400 1.00 1.00 C ATOM 1228 O GLN A 76 1.702 13.129 -12.921 1.00 1.00 O ATOM 1229 CB GLN A 76 0.152 10.283 -13.637 1.00 1.00 C ATOM 1230 CG GLN A 76 0.389 8.762 -13.785 1.00 1.00 C ATOM 1231 CD GLN A 76 -0.504 8.170 -14.885 1.00 1.00 C ATOM 1232 OE1 GLN A 76 -1.196 8.903 -15.595 1.00 1.00 O ATOM 1233 NE2 GLN A 76 -0.530 6.878 -15.067 1.00 1.00 N ATOM 0 H GLN A 76 -0.212 9.681 -11.236 1.00 1.00 H new ATOM 0 HA GLN A 76 2.057 10.594 -12.703 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -0.902 10.476 -13.436 1.00 1.00 H new ATOM 0 HB3 GLN A 76 0.396 10.789 -14.571 1.00 1.00 H new ATOM 0 HG2 GLN A 76 1.436 8.575 -14.022 1.00 1.00 H new ATOM 0 HG3 GLN A 76 0.183 8.264 -12.837 1.00 1.00 H new ATOM 0 HE21 GLN A 76 0.041 6.269 -14.481 1.00 1.00 H new ATOM 0 HE22 GLN A 76 -1.122 6.477 -15.795 1.00 1.00 H new ATOM 1242 N GLU A 77 -0.180 12.837 -11.727 1.00 1.00 N ATOM 1243 CA GLU A 77 -0.405 14.290 -11.550 1.00 1.00 C ATOM 1244 C GLU A 77 0.751 14.872 -10.721 1.00 1.00 C ATOM 1245 O GLU A 77 1.366 15.868 -11.101 1.00 1.00 O ATOM 1246 CB GLU A 77 -1.760 14.550 -10.828 1.00 1.00 C ATOM 1247 CG GLU A 77 -2.972 14.217 -11.744 1.00 1.00 C ATOM 1248 CD GLU A 77 -3.071 15.206 -12.913 1.00 1.00 C ATOM 1249 OE1 GLU A 77 -3.087 16.398 -12.651 1.00 1.00 O ATOM 1250 OE2 GLU A 77 -3.134 14.758 -14.048 1.00 1.00 O ATOM 0 H GLU A 77 -0.887 12.241 -11.296 1.00 1.00 H new ATOM 0 HA GLU A 77 -0.443 14.772 -12.527 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -1.812 13.946 -9.922 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -1.813 15.594 -10.519 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -2.872 13.202 -12.130 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -3.892 14.247 -11.160 1.00 1.00 H new ATOM 1257 N LEU A 78 1.045 14.227 -9.597 1.00 1.00 N ATOM 1258 CA LEU A 78 2.136 14.654 -8.707 1.00 1.00 C ATOM 1259 C LEU A 78 3.478 14.553 -9.448 1.00 1.00 C ATOM 1260 O LEU A 78 4.384 15.359 -9.239 1.00 1.00 O ATOM 1261 CB LEU A 78 2.137 13.752 -7.438 1.00 1.00 C ATOM 1262 CG LEU A 78 0.882 14.023 -6.519 1.00 1.00 C ATOM 1263 CD1 LEU A 78 0.668 12.830 -5.553 1.00 1.00 C ATOM 1264 CD2 LEU A 78 1.074 15.317 -5.664 1.00 1.00 C ATOM 0 H LEU A 78 0.543 13.400 -9.273 1.00 1.00 H new ATOM 0 HA LEU A 78 1.989 15.691 -8.405 1.00 1.00 H new ATOM 0 HB2 LEU A 78 2.147 12.704 -7.738 1.00 1.00 H new ATOM 0 HB3 LEU A 78 3.049 13.929 -6.868 1.00 1.00 H new ATOM 0 HG LEU A 78 0.018 14.149 -7.171 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -0.199 13.024 -4.922 1.00 1.00 H new ATOM 0 HD12 LEU A 78 0.501 11.920 -6.130 1.00 1.00 H new ATOM 0 HD13 LEU A 78 1.552 12.706 -4.927 1.00 1.00 H new ATOM 0 HD21 LEU A 78 0.193 15.476 -5.042 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.952 15.206 -5.028 1.00 1.00 H new ATOM 0 HD23 LEU A 78 1.211 16.173 -6.325 1.00 1.00 H new ATOM 1276 N ALA A 79 3.596 13.558 -10.322 1.00 1.00 N ATOM 1277 CA ALA A 79 4.833 13.362 -11.099 1.00 1.00 C ATOM 1278 C ALA A 79 5.076 14.566 -12.018 1.00 1.00 C ATOM 1279 O ALA A 79 6.211 15.017 -12.177 1.00 1.00 O ATOM 1280 CB ALA A 79 4.743 12.066 -11.914 1.00 1.00 C ATOM 0 H ALA A 79 2.862 12.876 -10.515 1.00 1.00 H new ATOM 0 HA ALA A 79 5.675 13.279 -10.412 1.00 1.00 H new ATOM 0 HB1 ALA A 79 5.662 11.930 -12.485 1.00 1.00 H new ATOM 0 HB2 ALA A 79 4.607 11.221 -11.239 1.00 1.00 H new ATOM 0 HB3 ALA A 79 3.896 12.124 -12.598 1.00 1.00 H new ATOM 1286 N ARG A 80 4.006 15.103 -12.594 1.00 1.00 N ATOM 1287 CA ARG A 80 4.103 16.279 -13.474 1.00 1.00 C ATOM 1288 C ARG A 80 4.501 17.500 -12.643 1.00 1.00 C ATOM 1289 O ARG A 80 5.370 18.279 -13.036 1.00 1.00 O ATOM 1290 CB ARG A 80 2.741 16.517 -14.188 1.00 1.00 C ATOM 1291 CG ARG A 80 2.487 15.425 -15.262 1.00 1.00 C ATOM 1292 CD ARG A 80 1.099 15.619 -15.907 1.00 1.00 C ATOM 1293 NE ARG A 80 0.865 14.593 -16.937 1.00 1.00 N ATOM 1294 CZ ARG A 80 1.464 14.630 -18.137 1.00 1.00 C ATOM 1295 NH1 ARG A 80 2.284 15.603 -18.440 1.00 1.00 N ATOM 1296 NH2 ARG A 80 1.226 13.690 -19.012 1.00 1.00 N ATOM 0 H ARG A 80 3.058 14.748 -12.472 1.00 1.00 H new ATOM 0 HA ARG A 80 4.864 16.109 -14.236 1.00 1.00 H new ATOM 0 HB2 ARG A 80 1.934 16.508 -13.455 1.00 1.00 H new ATOM 0 HB3 ARG A 80 2.737 17.502 -14.655 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.261 15.472 -16.028 1.00 1.00 H new ATOM 0 HG3 ARG A 80 2.549 14.437 -14.807 1.00 1.00 H new ATOM 0 HD2 ARG A 80 0.324 15.560 -15.143 1.00 1.00 H new ATOM 0 HD3 ARG A 80 1.033 16.612 -16.352 1.00 1.00 H new ATOM 0 HE ARG A 80 0.224 13.827 -16.731 1.00 1.00 H new ATOM 0 HH11 ARG A 80 2.472 16.341 -17.762 1.00 1.00 H new ATOM 0 HH12 ARG A 80 2.735 15.624 -19.355 1.00 1.00 H new ATOM 0 HH21 ARG A 80 0.586 12.930 -18.782 1.00 1.00 H new ATOM 0 HH22 ARG A 80 1.680 13.716 -19.925 1.00 1.00 H new ATOM 1310 N GLN A 81 3.865 17.662 -11.489 1.00 1.00 N ATOM 1311 CA GLN A 81 4.152 18.784 -10.590 1.00 1.00 C ATOM 1312 C GLN A 81 5.585 18.683 -10.064 1.00 1.00 C ATOM 1313 O GLN A 81 6.292 19.687 -9.967 1.00 1.00 O ATOM 1314 CB GLN A 81 3.154 18.772 -9.410 1.00 1.00 C ATOM 1315 CG GLN A 81 1.718 19.039 -9.917 1.00 1.00 C ATOM 1316 CD GLN A 81 0.722 18.967 -8.759 1.00 1.00 C ATOM 1317 OE1 GLN A 81 0.890 18.160 -7.846 1.00 1.00 O ATOM 1318 NE2 GLN A 81 -0.310 19.765 -8.747 1.00 1.00 N ATOM 0 H GLN A 81 3.142 17.029 -11.148 1.00 1.00 H new ATOM 0 HA GLN A 81 4.046 19.719 -11.141 1.00 1.00 H new ATOM 0 HB2 GLN A 81 3.194 17.809 -8.901 1.00 1.00 H new ATOM 0 HB3 GLN A 81 3.436 19.530 -8.679 1.00 1.00 H new ATOM 0 HG2 GLN A 81 1.668 20.021 -10.387 1.00 1.00 H new ATOM 0 HG3 GLN A 81 1.453 18.307 -10.679 1.00 1.00 H new ATOM 0 HE21 GLN A 81 -0.447 20.433 -9.505 1.00 1.00 H new ATOM 0 HE22 GLN A 81 -0.980 19.721 -7.979 1.00 1.00 H new ATOM 1327 N CYS A 82 6.017 17.473 -9.727 1.00 1.00 N ATOM 1328 CA CYS A 82 7.367 17.238 -9.210 1.00 1.00 C ATOM 1329 C CYS A 82 8.416 17.595 -10.261 1.00 1.00 C ATOM 1330 O CYS A 82 9.438 18.206 -9.953 1.00 1.00 O ATOM 1331 CB CYS A 82 7.510 15.763 -8.799 1.00 1.00 C ATOM 1332 SG CYS A 82 9.146 15.484 -8.072 1.00 1.00 S ATOM 0 H CYS A 82 5.448 16.630 -9.802 1.00 1.00 H new ATOM 0 HA CYS A 82 7.527 17.874 -8.339 1.00 1.00 H new ATOM 0 HB2 CYS A 82 6.733 15.499 -8.081 1.00 1.00 H new ATOM 0 HB3 CYS A 82 7.373 15.119 -9.668 1.00 1.00 H new ATOM 0 HG CYS A 82 9.429 14.216 -8.115 1.00 1.00 H new