USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 480 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 70 GLN : amide:sc= -0.556 K(o=-5.2,f=-3.7) USER MOD Set 1.2: A 74 GLN : amide:sc= -4.63! K(o=-5.2!,f=-3.7) USER MOD Single : A 17 MET CE :methyl -135:sc= -1.03 (180deg=-4.07!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 142:sc= -4.07! USER MOD Single : A 29 THR OG1 : rot 169:sc= 1.02 USER MOD Single : A 31 GLN : amide:sc= -2.12! K(o=-2.1!,f=-1.2) USER MOD Single : A 39 TYR OH : rot -80:sc= -3.31! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.0072) USER MOD Single : A 72 MET CE :methyl -110:sc= -6.37! (180deg=-11.2!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -3.268 12.935 9.700 1.00 0.00 N ATOM 108 CA ASP A 11 -2.471 12.656 8.518 1.00 0.00 C ATOM 109 C ASP A 11 -1.643 13.892 8.163 1.00 0.00 C ATOM 110 O ASP A 11 -1.963 15.001 8.588 1.00 0.00 O ATOM 111 CB ASP A 11 -3.361 12.324 7.320 1.00 0.00 C ATOM 112 CG ASP A 11 -4.214 11.064 7.476 1.00 0.00 C ATOM 113 OD1 ASP A 11 -4.285 10.565 8.621 1.00 0.00 O ATOM 114 OD2 ASP A 11 -4.775 10.626 6.449 1.00 0.00 O ATOM 0 HA ASP A 11 -1.829 11.803 8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.022 13.170 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.730 12.210 6.439 1.00 0.00 H new ATOM 119 N ASP A 12 -0.593 13.660 7.389 1.00 0.00 N ATOM 120 CA ASP A 12 0.284 14.741 6.972 1.00 0.00 C ATOM 121 C ASP A 12 0.138 14.958 5.465 1.00 0.00 C ATOM 122 O ASP A 12 -0.675 14.301 4.815 1.00 0.00 O ATOM 123 CB ASP A 12 1.747 14.405 7.261 1.00 0.00 C ATOM 124 CG ASP A 12 2.262 14.874 8.623 1.00 0.00 C ATOM 125 OD1 ASP A 12 1.607 15.769 9.200 1.00 0.00 O ATOM 126 OD2 ASP A 12 3.299 14.328 9.057 1.00 0.00 O ATOM 0 H ASP A 12 -0.330 12.739 7.040 1.00 0.00 H new ATOM 0 HA ASP A 12 0.003 15.636 7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.876 13.325 7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.367 14.850 6.482 1.00 0.00 H new ATOM 131 N GLU A 13 0.936 15.883 4.952 1.00 0.00 N ATOM 132 CA GLU A 13 0.905 16.196 3.533 1.00 0.00 C ATOM 133 C GLU A 13 1.478 15.032 2.722 1.00 0.00 C ATOM 134 O GLU A 13 1.155 14.873 1.545 1.00 0.00 O ATOM 135 CB GLU A 13 1.662 17.493 3.241 1.00 0.00 C ATOM 136 CG GLU A 13 0.895 18.706 3.773 1.00 0.00 C ATOM 137 CD GLU A 13 1.478 20.008 3.219 1.00 0.00 C ATOM 138 OE1 GLU A 13 2.723 20.113 3.206 1.00 0.00 O ATOM 139 OE2 GLU A 13 0.665 20.869 2.821 1.00 0.00 O ATOM 0 H GLU A 13 1.608 16.426 5.494 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.133 16.346 3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.650 17.453 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.813 17.596 2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.156 18.627 3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.937 18.719 4.862 1.00 0.00 H new ATOM 146 N VAL A 14 2.318 14.248 3.381 1.00 0.00 N ATOM 147 CA VAL A 14 2.939 13.104 2.736 1.00 0.00 C ATOM 148 C VAL A 14 1.911 11.979 2.604 1.00 0.00 C ATOM 149 O VAL A 14 1.822 11.334 1.561 1.00 0.00 O ATOM 150 CB VAL A 14 4.191 12.683 3.507 1.00 0.00 C ATOM 151 CG1 VAL A 14 3.819 12.011 4.830 1.00 0.00 C ATOM 152 CG2 VAL A 14 5.077 11.771 2.658 1.00 0.00 C ATOM 0 H VAL A 14 2.583 14.383 4.357 1.00 0.00 H new ATOM 0 HA VAL A 14 3.267 13.365 1.730 1.00 0.00 H new ATOM 0 HB VAL A 14 4.762 13.583 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.727 11.721 5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.248 12.708 5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.216 11.125 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.960 11.486 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.519 10.876 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.384 12.300 1.756 1.00 0.00 H new ATOM 162 N VAL A 15 1.161 11.777 3.677 1.00 0.00 N ATOM 163 CA VAL A 15 0.143 10.740 3.695 1.00 0.00 C ATOM 164 C VAL A 15 -0.876 11.013 2.586 1.00 0.00 C ATOM 165 O VAL A 15 -1.288 10.097 1.877 1.00 0.00 O ATOM 166 CB VAL A 15 -0.493 10.656 5.084 1.00 0.00 C ATOM 167 CG1 VAL A 15 -1.706 9.723 5.074 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.531 10.212 6.130 1.00 0.00 C ATOM 0 H VAL A 15 1.238 12.314 4.541 1.00 0.00 H new ATOM 0 HA VAL A 15 0.587 9.765 3.496 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.838 11.653 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.140 9.680 6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.449 10.100 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.394 8.724 4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.053 10.161 7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.920 9.229 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.351 10.930 6.164 1.00 0.00 H new ATOM 178 N ALA A 16 -1.254 12.279 2.472 1.00 0.00 N ATOM 179 CA ALA A 16 -2.216 12.684 1.461 1.00 0.00 C ATOM 180 C ALA A 16 -1.647 12.387 0.072 1.00 0.00 C ATOM 181 O ALA A 16 -2.391 12.312 -0.904 1.00 0.00 O ATOM 182 CB ALA A 16 -2.558 14.164 1.646 1.00 0.00 C ATOM 0 H ALA A 16 -0.911 13.037 3.063 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.142 12.119 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.280 14.468 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.986 14.317 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.652 14.762 1.546 1.00 0.00 H new ATOM 188 N MET A 17 -0.333 12.225 0.029 1.00 0.00 N ATOM 189 CA MET A 17 0.344 11.937 -1.225 1.00 0.00 C ATOM 190 C MET A 17 0.201 10.461 -1.599 1.00 0.00 C ATOM 191 O MET A 17 -0.304 10.135 -2.673 1.00 0.00 O ATOM 192 CB MET A 17 1.827 12.290 -1.096 1.00 0.00 C ATOM 193 CG MET A 17 2.301 13.113 -2.296 1.00 0.00 C ATOM 194 SD MET A 17 4.069 13.348 -2.216 1.00 0.00 S ATOM 195 CE MET A 17 4.194 14.233 -0.671 1.00 0.00 C ATOM 0 H MET A 17 0.281 12.287 0.841 1.00 0.00 H new ATOM 0 HA MET A 17 -0.115 12.537 -2.011 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.992 12.852 -0.177 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.417 11.376 -1.021 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.035 12.605 -3.223 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.798 14.080 -2.306 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.873 15.077 -0.789 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.209 14.598 -0.380 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.576 13.565 0.101 1.00 0.00 H new ATOM 205 N ILE A 18 0.654 9.607 -0.693 1.00 0.00 N ATOM 206 CA ILE A 18 0.582 8.172 -0.914 1.00 0.00 C ATOM 207 C ILE A 18 -0.880 7.761 -1.091 1.00 0.00 C ATOM 208 O ILE A 18 -1.215 7.029 -2.021 1.00 0.00 O ATOM 209 CB ILE A 18 1.302 7.421 0.207 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.791 7.775 0.237 1.00 0.00 C ATOM 211 CG2 ILE A 18 1.073 5.912 0.090 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.251 8.086 1.662 1.00 0.00 C ATOM 0 H ILE A 18 1.072 9.881 0.196 1.00 0.00 H new ATOM 0 HA ILE A 18 1.102 7.901 -1.832 1.00 0.00 H new ATOM 0 HB ILE A 18 0.877 7.739 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.374 6.946 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.977 8.636 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.595 5.401 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.006 5.700 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.454 5.559 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.312 8.334 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.683 8.931 2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.086 7.215 2.296 1.00 0.00 H new ATOM 224 N LYS A 19 -1.713 8.248 -0.183 1.00 0.00 N ATOM 225 CA LYS A 19 -3.132 7.940 -0.226 1.00 0.00 C ATOM 226 C LYS A 19 -3.613 7.972 -1.678 1.00 0.00 C ATOM 227 O LYS A 19 -4.279 7.044 -2.136 1.00 0.00 O ATOM 228 CB LYS A 19 -3.913 8.875 0.700 1.00 0.00 C ATOM 229 CG LYS A 19 -4.123 8.236 2.074 1.00 0.00 C ATOM 230 CD LYS A 19 -5.435 8.707 2.703 1.00 0.00 C ATOM 231 CE LYS A 19 -5.920 7.718 3.766 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.296 8.053 4.196 1.00 0.00 N ATOM 0 H LYS A 19 -1.432 8.854 0.588 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.313 6.933 0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.374 9.816 0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.879 9.111 0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.131 7.150 1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.290 8.491 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.295 9.690 3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.195 8.816 1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.894 6.704 3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.249 7.740 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.610 7.372 4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.311 9.013 4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.936 8.009 3.377 1.00 0.00 H new ATOM 246 N GLU A 20 -3.255 9.048 -2.363 1.00 0.00 N ATOM 247 CA GLU A 20 -3.640 9.213 -3.754 1.00 0.00 C ATOM 248 C GLU A 20 -2.973 8.143 -4.621 1.00 0.00 C ATOM 249 O GLU A 20 -3.621 7.533 -5.470 1.00 0.00 O ATOM 250 CB GLU A 20 -3.299 10.617 -4.256 1.00 0.00 C ATOM 251 CG GLU A 20 -4.486 11.240 -4.993 1.00 0.00 C ATOM 252 CD GLU A 20 -4.023 11.982 -6.249 1.00 0.00 C ATOM 253 OE1 GLU A 20 -2.947 12.613 -6.170 1.00 0.00 O ATOM 254 OE2 GLU A 20 -4.757 11.903 -7.257 1.00 0.00 O ATOM 0 H GLU A 20 -2.702 9.815 -1.980 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.721 9.090 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.017 11.249 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.437 10.570 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.197 10.461 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.009 11.930 -4.330 1.00 0.00 H new ATOM 261 N LEU A 21 -1.685 7.949 -4.376 1.00 0.00 N ATOM 262 CA LEU A 21 -0.922 6.964 -5.124 1.00 0.00 C ATOM 263 C LEU A 21 -1.613 5.603 -5.018 1.00 0.00 C ATOM 264 O LEU A 21 -1.368 4.714 -5.832 1.00 0.00 O ATOM 265 CB LEU A 21 0.536 6.951 -4.659 1.00 0.00 C ATOM 266 CG LEU A 21 1.591 7.065 -5.762 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.004 6.980 -5.179 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.358 6.019 -6.854 1.00 0.00 C ATOM 0 H LEU A 21 -1.151 8.457 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.893 7.226 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.681 7.773 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.713 6.027 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 21 1.493 8.045 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.735 7.064 -5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.153 7.792 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.131 6.024 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.121 6.122 -7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.413 5.021 -6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.373 6.168 -7.296 1.00 0.00 H new ATOM 280 N LEU A 22 -2.461 5.483 -4.007 1.00 0.00 N ATOM 281 CA LEU A 22 -3.189 4.244 -3.785 1.00 0.00 C ATOM 282 C LEU A 22 -4.521 4.299 -4.534 1.00 0.00 C ATOM 283 O LEU A 22 -4.835 3.405 -5.317 1.00 0.00 O ATOM 284 CB LEU A 22 -3.336 3.972 -2.286 1.00 0.00 C ATOM 285 CG LEU A 22 -2.106 3.389 -1.586 1.00 0.00 C ATOM 286 CD1 LEU A 22 -2.216 1.867 -1.462 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.819 3.815 -2.295 1.00 0.00 C ATOM 0 H LEU A 22 -2.660 6.222 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.633 3.397 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.602 4.906 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.171 3.286 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.065 3.792 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.330 1.478 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.102 1.612 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.295 1.426 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.040 3.387 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.836 3.459 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.742 4.902 -2.288 1.00 0.00 H new ATOM 299 N ASP A 23 -5.271 5.359 -4.267 1.00 0.00 N ATOM 300 CA ASP A 23 -6.562 5.543 -4.906 1.00 0.00 C ATOM 301 C ASP A 23 -6.363 5.691 -6.416 1.00 0.00 C ATOM 302 O ASP A 23 -7.199 5.248 -7.201 1.00 0.00 O ATOM 303 CB ASP A 23 -7.256 6.807 -4.394 1.00 0.00 C ATOM 304 CG ASP A 23 -8.400 6.564 -3.408 1.00 0.00 C ATOM 305 OD1 ASP A 23 -9.480 6.152 -3.884 1.00 0.00 O ATOM 306 OD2 ASP A 23 -8.168 6.795 -2.202 1.00 0.00 O ATOM 0 H ASP A 23 -5.008 6.099 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.179 4.675 -4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.512 7.442 -3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.645 7.361 -5.248 1.00 0.00 H new ATOM 311 N THR A 24 -5.251 6.315 -6.775 1.00 0.00 N ATOM 312 CA THR A 24 -4.932 6.527 -8.177 1.00 0.00 C ATOM 313 C THR A 24 -5.359 5.316 -9.010 1.00 0.00 C ATOM 314 O THR A 24 -6.500 5.242 -9.463 1.00 0.00 O ATOM 315 CB THR A 24 -3.437 6.838 -8.280 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.848 6.058 -7.243 1.00 0.00 O ATOM 317 CG2 THR A 24 -3.112 8.282 -7.890 1.00 0.00 C ATOM 0 H THR A 24 -4.560 6.681 -6.120 1.00 0.00 H new ATOM 0 HA THR A 24 -5.484 7.374 -8.585 1.00 0.00 H new ATOM 0 HB THR A 24 -3.096 6.651 -9.298 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.988 5.702 -7.550 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.039 8.451 -7.980 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.644 8.966 -8.551 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.422 8.459 -6.860 1.00 0.00 H new ATOM 325 N ARG A 25 -4.420 4.398 -9.187 1.00 0.00 N ATOM 326 CA ARG A 25 -4.685 3.195 -9.957 1.00 0.00 C ATOM 327 C ARG A 25 -3.994 1.991 -9.315 1.00 0.00 C ATOM 328 O ARG A 25 -3.480 1.120 -10.015 1.00 0.00 O ATOM 329 CB ARG A 25 -4.196 3.346 -11.399 1.00 0.00 C ATOM 330 CG ARG A 25 -2.808 3.990 -11.443 1.00 0.00 C ATOM 331 CD ARG A 25 -1.924 3.315 -12.494 1.00 0.00 C ATOM 332 NE ARG A 25 -1.448 4.316 -13.473 1.00 0.00 N ATOM 333 CZ ARG A 25 -0.916 4.010 -14.664 1.00 0.00 C ATOM 334 NH1 ARG A 25 -0.792 2.726 -15.032 1.00 0.00 N ATOM 335 NH2 ARG A 25 -0.510 4.985 -15.488 1.00 0.00 N ATOM 0 H ARG A 25 -3.474 4.463 -8.810 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.763 3.037 -9.965 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.163 2.368 -11.880 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.902 3.955 -11.964 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.903 5.052 -11.670 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.337 3.914 -10.463 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.074 2.834 -12.011 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.485 2.533 -13.005 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.530 5.302 -13.226 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.103 1.984 -14.405 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.387 2.492 -15.939 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.606 5.961 -15.209 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.105 4.751 -16.394 1.00 0.00 H new ATOM 349 N ILE A 26 -4.004 1.980 -7.991 1.00 0.00 N ATOM 350 CA ILE A 26 -3.385 0.897 -7.246 1.00 0.00 C ATOM 351 C ILE A 26 -4.450 0.184 -6.411 1.00 0.00 C ATOM 352 O ILE A 26 -4.709 -1.002 -6.609 1.00 0.00 O ATOM 353 CB ILE A 26 -2.205 1.419 -6.424 1.00 0.00 C ATOM 354 CG1 ILE A 26 -1.231 2.208 -7.300 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.509 0.277 -5.679 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.100 2.428 -6.581 1.00 0.00 C ATOM 0 H ILE A 26 -4.431 2.704 -7.414 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.966 0.156 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.591 2.108 -5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.060 1.671 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.670 3.171 -7.562 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.674 0.674 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.219 -0.204 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.138 -0.454 -6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.774 2.991 -7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.072 2.986 -5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.548 1.464 -6.342 1.00 0.00 H new ATOM 368 N ARG A 27 -5.039 0.938 -5.493 1.00 0.00 N ATOM 369 CA ARG A 27 -6.070 0.393 -4.626 1.00 0.00 C ATOM 370 C ARG A 27 -7.227 -0.158 -5.460 1.00 0.00 C ATOM 371 O ARG A 27 -7.675 -1.283 -5.242 1.00 0.00 O ATOM 372 CB ARG A 27 -6.603 1.459 -3.667 1.00 0.00 C ATOM 373 CG ARG A 27 -8.078 1.215 -3.342 1.00 0.00 C ATOM 374 CD ARG A 27 -8.980 2.145 -4.155 1.00 0.00 C ATOM 375 NE ARG A 27 -10.222 2.432 -3.402 1.00 0.00 N ATOM 376 CZ ARG A 27 -11.257 3.123 -3.896 1.00 0.00 C ATOM 377 NH1 ARG A 27 -11.207 3.602 -5.147 1.00 0.00 N ATOM 378 NH2 ARG A 27 -12.343 3.335 -3.140 1.00 0.00 N ATOM 0 H ARG A 27 -4.822 1.921 -5.331 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.622 -0.412 -4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.018 1.451 -2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.483 2.447 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.334 0.177 -3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.251 1.374 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.455 3.075 -4.374 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.224 1.684 -5.112 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.294 2.081 -2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.381 3.440 -5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.995 4.128 -5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.381 2.970 -2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.131 3.861 -3.516 1.00 0.00 H new ATOM 392 N PRO A 28 -7.692 0.681 -6.423 1.00 0.00 N ATOM 393 CA PRO A 28 -8.790 0.290 -7.291 1.00 0.00 C ATOM 394 C PRO A 28 -8.323 -0.717 -8.346 1.00 0.00 C ATOM 395 O PRO A 28 -9.142 -1.357 -9.003 1.00 0.00 O ATOM 396 CB PRO A 28 -9.297 1.589 -7.896 1.00 0.00 C ATOM 397 CG PRO A 28 -8.178 2.601 -7.709 1.00 0.00 C ATOM 398 CD PRO A 28 -7.188 2.020 -6.711 1.00 0.00 C ATOM 0 HA PRO A 28 -9.588 -0.222 -6.753 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.535 1.461 -8.952 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.210 1.920 -7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.686 2.807 -8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.576 3.548 -7.345 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.182 1.983 -7.128 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.136 2.626 -5.807 1.00 0.00 H new ATOM 406 N THR A 29 -7.009 -0.824 -8.473 1.00 0.00 N ATOM 407 CA THR A 29 -6.423 -1.742 -9.436 1.00 0.00 C ATOM 408 C THR A 29 -6.424 -3.168 -8.881 1.00 0.00 C ATOM 409 O THR A 29 -6.585 -4.130 -9.631 1.00 0.00 O ATOM 410 CB THR A 29 -5.027 -1.228 -9.791 1.00 0.00 C ATOM 411 OG1 THR A 29 -5.257 -0.299 -10.847 1.00 0.00 O ATOM 412 CG2 THR A 29 -4.150 -2.307 -10.430 1.00 0.00 C ATOM 0 H THR A 29 -6.333 -0.291 -7.926 1.00 0.00 H new ATOM 0 HA THR A 29 -7.011 -1.783 -10.353 1.00 0.00 H new ATOM 0 HB THR A 29 -4.541 -0.850 -8.892 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.438 0.211 -11.019 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.170 -1.889 -10.662 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.034 -3.140 -9.736 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.620 -2.662 -11.347 1.00 0.00 H new ATOM 420 N VAL A 30 -6.241 -3.260 -7.572 1.00 0.00 N ATOM 421 CA VAL A 30 -6.217 -4.552 -6.908 1.00 0.00 C ATOM 422 C VAL A 30 -7.569 -5.243 -7.099 1.00 0.00 C ATOM 423 O VAL A 30 -7.624 -6.421 -7.450 1.00 0.00 O ATOM 424 CB VAL A 30 -5.838 -4.377 -5.437 1.00 0.00 C ATOM 425 CG1 VAL A 30 -5.829 -5.724 -4.710 1.00 0.00 C ATOM 426 CG2 VAL A 30 -4.488 -3.671 -5.299 1.00 0.00 C ATOM 0 H VAL A 30 -6.108 -2.460 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.457 -5.196 -7.351 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.595 -3.748 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.556 -5.572 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.820 -6.174 -4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.104 -6.387 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.242 -3.559 -4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.716 -4.263 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.543 -2.687 -5.765 1.00 0.00 H new ATOM 436 N GLN A 31 -8.625 -4.481 -6.861 1.00 0.00 N ATOM 437 CA GLN A 31 -9.973 -5.005 -7.002 1.00 0.00 C ATOM 438 C GLN A 31 -10.120 -5.741 -8.336 1.00 0.00 C ATOM 439 O GLN A 31 -10.621 -6.864 -8.377 1.00 0.00 O ATOM 440 CB GLN A 31 -11.012 -3.889 -6.875 1.00 0.00 C ATOM 441 CG GLN A 31 -11.131 -3.413 -5.426 1.00 0.00 C ATOM 442 CD GLN A 31 -11.271 -1.890 -5.359 1.00 0.00 C ATOM 443 OE1 GLN A 31 -12.262 -1.313 -5.776 1.00 0.00 O ATOM 444 NE2 GLN A 31 -10.228 -1.274 -4.812 1.00 0.00 N ATOM 0 H GLN A 31 -8.575 -3.504 -6.571 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.151 -5.716 -6.195 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.732 -3.052 -7.515 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.980 -4.247 -7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.995 -3.882 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.252 -3.726 -4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.430 -1.817 -4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.226 -0.258 -4.721 1.00 0.00 H new ATOM 453 N GLU A 32 -9.674 -5.079 -9.393 1.00 0.00 N ATOM 454 CA GLU A 32 -9.749 -5.656 -10.723 1.00 0.00 C ATOM 455 C GLU A 32 -9.139 -7.060 -10.729 1.00 0.00 C ATOM 456 O GLU A 32 -9.438 -7.867 -11.608 1.00 0.00 O ATOM 457 CB GLU A 32 -9.061 -4.755 -11.752 1.00 0.00 C ATOM 458 CG GLU A 32 -9.952 -4.545 -12.979 1.00 0.00 C ATOM 459 CD GLU A 32 -9.111 -4.237 -14.219 1.00 0.00 C ATOM 460 OE1 GLU A 32 -8.557 -3.116 -14.265 1.00 0.00 O ATOM 461 OE2 GLU A 32 -9.040 -5.127 -15.093 1.00 0.00 O ATOM 0 H GLU A 32 -9.259 -4.148 -9.355 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.799 -5.736 -11.003 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.827 -3.792 -11.299 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.115 -5.202 -12.057 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.552 -5.438 -13.154 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.646 -3.726 -12.793 1.00 0.00 H new ATOM 468 N ASP A 33 -8.295 -7.307 -9.738 1.00 0.00 N ATOM 469 CA ASP A 33 -7.641 -8.598 -9.617 1.00 0.00 C ATOM 470 C ASP A 33 -8.392 -9.452 -8.593 1.00 0.00 C ATOM 471 O ASP A 33 -8.891 -10.528 -8.922 1.00 0.00 O ATOM 472 CB ASP A 33 -6.198 -8.441 -9.134 1.00 0.00 C ATOM 473 CG ASP A 33 -5.216 -9.479 -9.682 1.00 0.00 C ATOM 474 OD1 ASP A 33 -4.943 -9.414 -10.900 1.00 0.00 O ATOM 475 OD2 ASP A 33 -4.761 -10.313 -8.871 1.00 0.00 O ATOM 0 H ASP A 33 -8.049 -6.635 -9.012 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.643 -9.070 -10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.845 -7.447 -9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.188 -8.492 -8.045 1.00 0.00 H new ATOM 480 N GLY A 34 -8.450 -8.940 -7.372 1.00 0.00 N ATOM 481 CA GLY A 34 -9.131 -9.643 -6.298 1.00 0.00 C ATOM 482 C GLY A 34 -8.457 -9.373 -4.952 1.00 0.00 C ATOM 483 O GLY A 34 -8.015 -10.303 -4.278 1.00 0.00 O ATOM 0 H GLY A 34 -8.037 -8.047 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.174 -9.328 -6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.129 -10.714 -6.501 1.00 0.00 H new ATOM 487 N GLY A 35 -8.397 -8.098 -4.601 1.00 0.00 N ATOM 488 CA GLY A 35 -7.783 -7.695 -3.347 1.00 0.00 C ATOM 489 C GLY A 35 -8.181 -6.265 -2.975 1.00 0.00 C ATOM 490 O GLY A 35 -8.895 -5.601 -3.727 1.00 0.00 O ATOM 0 H GLY A 35 -8.763 -7.330 -5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.086 -8.378 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.698 -7.764 -3.430 1.00 0.00 H new ATOM 494 N ASP A 36 -7.702 -5.833 -1.819 1.00 0.00 N ATOM 495 CA ASP A 36 -7.998 -4.494 -1.339 1.00 0.00 C ATOM 496 C ASP A 36 -6.813 -3.974 -0.523 1.00 0.00 C ATOM 497 O ASP A 36 -6.482 -4.532 0.522 1.00 0.00 O ATOM 498 CB ASP A 36 -9.233 -4.493 -0.434 1.00 0.00 C ATOM 499 CG ASP A 36 -9.311 -5.661 0.551 1.00 0.00 C ATOM 500 OD1 ASP A 36 -8.347 -6.457 0.567 1.00 0.00 O ATOM 501 OD2 ASP A 36 -10.334 -5.730 1.268 1.00 0.00 O ATOM 0 H ASP A 36 -7.110 -6.387 -1.200 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.185 -3.860 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.252 -3.560 0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.125 -4.505 -1.061 1.00 0.00 H new ATOM 506 N VAL A 37 -6.206 -2.912 -1.031 1.00 0.00 N ATOM 507 CA VAL A 37 -5.065 -2.311 -0.362 1.00 0.00 C ATOM 508 C VAL A 37 -5.548 -1.168 0.534 1.00 0.00 C ATOM 509 O VAL A 37 -6.123 -0.195 0.049 1.00 0.00 O ATOM 510 CB VAL A 37 -4.028 -1.865 -1.395 1.00 0.00 C ATOM 511 CG1 VAL A 37 -4.342 -0.460 -1.914 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.614 -1.931 -0.817 1.00 0.00 C ATOM 0 H VAL A 37 -6.483 -2.452 -1.898 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.571 -3.040 0.280 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.077 -2.554 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.590 -0.166 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.326 -0.457 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.333 0.245 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.897 -1.609 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.545 -1.276 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.391 -2.955 -0.518 1.00 0.00 H new ATOM 522 N ILE A 38 -5.295 -1.324 1.826 1.00 0.00 N ATOM 523 CA ILE A 38 -5.696 -0.318 2.793 1.00 0.00 C ATOM 524 C ILE A 38 -4.458 0.206 3.521 1.00 0.00 C ATOM 525 O ILE A 38 -3.918 -0.465 4.400 1.00 0.00 O ATOM 526 CB ILE A 38 -6.770 -0.873 3.730 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.872 -1.585 2.941 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.333 0.226 4.633 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.497 -3.044 2.671 1.00 0.00 C ATOM 0 H ILE A 38 -4.817 -2.132 2.224 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.154 0.533 2.289 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.305 -1.616 4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.808 -1.543 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.040 -1.068 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.094 -0.196 5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.529 0.649 5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.777 1.010 4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.296 -3.527 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.574 -3.081 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.354 -3.564 3.618 1.00 0.00 H new ATOM 541 N TYR A 39 -4.041 1.402 3.128 1.00 0.00 N ATOM 542 CA TYR A 39 -2.875 2.024 3.733 1.00 0.00 C ATOM 543 C TYR A 39 -3.183 2.503 5.153 1.00 0.00 C ATOM 544 O TYR A 39 -3.840 3.527 5.338 1.00 0.00 O ATOM 545 CB TYR A 39 -2.544 3.235 2.860 1.00 0.00 C ATOM 546 CG TYR A 39 -1.757 4.329 3.586 1.00 0.00 C ATOM 547 CD1 TYR A 39 -0.938 4.002 4.647 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.868 5.644 3.180 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.198 5.030 5.330 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.129 6.673 3.862 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.330 6.315 4.904 1.00 0.00 C ATOM 552 OH TYR A 39 0.369 7.288 5.549 1.00 0.00 O ATOM 0 H TYR A 39 -4.490 1.956 2.399 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.050 1.314 3.795 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.970 2.901 1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.473 3.661 2.480 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.852 2.974 4.965 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.510 5.900 2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.447 4.787 6.161 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.206 7.705 3.554 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.097 7.531 6.376 1.00 0.00 H new ATOM 562 N ARG A 40 -2.696 1.739 6.119 1.00 0.00 N ATOM 563 CA ARG A 40 -2.911 2.073 7.517 1.00 0.00 C ATOM 564 C ARG A 40 -1.581 2.077 8.273 1.00 0.00 C ATOM 565 O ARG A 40 -1.145 1.043 8.776 1.00 0.00 O ATOM 566 CB ARG A 40 -3.864 1.076 8.182 1.00 0.00 C ATOM 567 CG ARG A 40 -5.047 0.756 7.265 1.00 0.00 C ATOM 568 CD ARG A 40 -6.121 1.841 7.355 1.00 0.00 C ATOM 569 NE ARG A 40 -7.403 1.250 7.798 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.516 1.959 8.033 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.511 3.289 7.870 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.634 1.337 8.432 1.00 0.00 N ATOM 0 H ARG A 40 -2.153 0.890 5.962 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.358 3.067 7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.327 0.159 8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.229 1.488 9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.700 0.668 6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.475 -0.208 7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.808 2.617 8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.248 2.320 6.384 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.442 0.240 7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.660 3.762 7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.358 3.828 8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.638 0.325 8.557 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.481 1.876 8.611 1.00 0.00 H new ATOM 586 N GLY A 41 -0.973 3.253 8.329 1.00 0.00 N ATOM 587 CA GLY A 41 0.299 3.405 9.015 1.00 0.00 C ATOM 588 C GLY A 41 1.434 3.646 8.019 1.00 0.00 C ATOM 589 O GLY A 41 1.520 2.970 6.995 1.00 0.00 O ATOM 0 H GLY A 41 -1.337 4.109 7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.241 4.239 9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.509 2.511 9.602 1.00 0.00 H new ATOM 593 N PHE A 42 2.277 4.613 8.352 1.00 0.00 N ATOM 594 CA PHE A 42 3.403 4.951 7.499 1.00 0.00 C ATOM 595 C PHE A 42 4.633 5.315 8.334 1.00 0.00 C ATOM 596 O PHE A 42 4.673 6.376 8.956 1.00 0.00 O ATOM 597 CB PHE A 42 2.986 6.167 6.669 1.00 0.00 C ATOM 598 CG PHE A 42 4.044 6.626 5.663 1.00 0.00 C ATOM 599 CD1 PHE A 42 5.012 7.501 6.047 1.00 0.00 C ATOM 600 CD2 PHE A 42 4.016 6.160 4.387 1.00 0.00 C ATOM 601 CE1 PHE A 42 5.993 7.927 5.114 1.00 0.00 C ATOM 602 CE2 PHE A 42 4.997 6.586 3.453 1.00 0.00 C ATOM 603 CZ PHE A 42 5.965 7.462 3.837 1.00 0.00 C ATOM 0 H PHE A 42 2.202 5.173 9.201 1.00 0.00 H new ATOM 0 HA PHE A 42 3.663 4.099 6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.067 5.930 6.132 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.757 6.993 7.343 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.034 7.871 7.061 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.247 5.465 4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.762 8.621 5.419 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.975 6.215 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.711 7.788 3.127 1.00 0.00 H new ATOM 613 N GLU A 43 5.607 4.417 8.318 1.00 0.00 N ATOM 614 CA GLU A 43 6.834 4.631 9.066 1.00 0.00 C ATOM 615 C GLU A 43 8.044 4.200 8.234 1.00 0.00 C ATOM 616 O GLU A 43 7.942 3.297 7.405 1.00 0.00 O ATOM 617 CB GLU A 43 6.797 3.890 10.404 1.00 0.00 C ATOM 618 CG GLU A 43 6.273 4.797 11.519 1.00 0.00 C ATOM 619 CD GLU A 43 7.405 5.225 12.455 1.00 0.00 C ATOM 620 OE1 GLU A 43 8.242 4.352 12.771 1.00 0.00 O ATOM 621 OE2 GLU A 43 7.408 6.416 12.835 1.00 0.00 O ATOM 0 H GLU A 43 5.571 3.540 7.799 1.00 0.00 H new ATOM 0 HA GLU A 43 6.925 5.696 9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.161 3.009 10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.797 3.538 10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.803 5.679 11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.504 4.273 12.088 1.00 0.00 H new ATOM 628 N ASP A 44 9.161 4.868 8.483 1.00 0.00 N ATOM 629 CA ASP A 44 10.389 4.566 7.767 1.00 0.00 C ATOM 630 C ASP A 44 10.072 4.358 6.285 1.00 0.00 C ATOM 631 O ASP A 44 10.776 3.624 5.593 1.00 0.00 O ATOM 632 CB ASP A 44 11.034 3.283 8.297 1.00 0.00 C ATOM 633 CG ASP A 44 12.511 3.411 8.676 1.00 0.00 C ATOM 634 OD1 ASP A 44 12.977 4.568 8.762 1.00 0.00 O ATOM 635 OD2 ASP A 44 13.140 2.349 8.870 1.00 0.00 O ATOM 0 H ASP A 44 9.241 5.617 9.171 1.00 0.00 H new ATOM 0 HA ASP A 44 11.076 5.400 7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.477 2.949 9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.935 2.505 7.540 1.00 0.00 H new ATOM 640 N GLY A 45 9.012 5.018 5.841 1.00 0.00 N ATOM 641 CA GLY A 45 8.593 4.915 4.453 1.00 0.00 C ATOM 642 C GLY A 45 7.677 3.707 4.246 1.00 0.00 C ATOM 643 O GLY A 45 6.680 3.796 3.531 1.00 0.00 O ATOM 0 H GLY A 45 8.431 5.626 6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.072 5.826 4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.469 4.826 3.810 1.00 0.00 H new ATOM 647 N ILE A 46 8.048 2.607 4.883 1.00 0.00 N ATOM 648 CA ILE A 46 7.273 1.383 4.777 1.00 0.00 C ATOM 649 C ILE A 46 5.789 1.707 4.964 1.00 0.00 C ATOM 650 O ILE A 46 5.326 1.886 6.089 1.00 0.00 O ATOM 651 CB ILE A 46 7.799 0.328 5.751 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.249 -0.041 5.429 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.887 -0.900 5.777 1.00 0.00 C ATOM 654 CD1 ILE A 46 9.344 -0.763 4.084 1.00 0.00 C ATOM 0 H ILE A 46 8.876 2.538 5.475 1.00 0.00 H new ATOM 0 HA ILE A 46 7.383 0.948 3.784 1.00 0.00 H new ATOM 0 HB ILE A 46 7.790 0.755 6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.861 0.861 5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.650 -0.678 6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.285 -1.634 6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.886 -0.603 6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.839 -1.339 4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.385 -1.014 3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.750 -1.676 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.965 -0.114 3.295 1.00 0.00 H new ATOM 666 N VAL A 47 5.085 1.772 3.844 1.00 0.00 N ATOM 667 CA VAL A 47 3.663 2.072 3.871 1.00 0.00 C ATOM 668 C VAL A 47 2.886 0.805 4.235 1.00 0.00 C ATOM 669 O VAL A 47 2.859 -0.154 3.465 1.00 0.00 O ATOM 670 CB VAL A 47 3.229 2.674 2.532 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.716 2.893 2.494 1.00 0.00 C ATOM 672 CG2 VAL A 47 3.980 3.978 2.250 1.00 0.00 C ATOM 0 H VAL A 47 5.472 1.622 2.912 1.00 0.00 H new ATOM 0 HA VAL A 47 3.445 2.819 4.634 1.00 0.00 H new ATOM 0 HB VAL A 47 3.483 1.963 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.434 3.321 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.207 1.939 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.427 3.575 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.654 4.386 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.770 4.697 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.051 3.780 2.214 1.00 0.00 H new ATOM 682 N ARG A 48 2.272 0.842 5.408 1.00 0.00 N ATOM 683 CA ARG A 48 1.497 -0.291 5.884 1.00 0.00 C ATOM 684 C ARG A 48 0.193 -0.411 5.093 1.00 0.00 C ATOM 685 O ARG A 48 -0.705 0.417 5.240 1.00 0.00 O ATOM 686 CB ARG A 48 1.172 -0.149 7.373 1.00 0.00 C ATOM 687 CG ARG A 48 2.413 -0.400 8.231 1.00 0.00 C ATOM 688 CD ARG A 48 2.046 -0.491 9.714 1.00 0.00 C ATOM 689 NE ARG A 48 2.812 0.512 10.487 1.00 0.00 N ATOM 690 CZ ARG A 48 4.098 0.369 10.834 1.00 0.00 C ATOM 691 NH1 ARG A 48 4.770 -0.734 10.480 1.00 0.00 N ATOM 692 NH2 ARG A 48 4.713 1.330 11.538 1.00 0.00 N ATOM 0 H ARG A 48 2.295 1.639 6.044 1.00 0.00 H new ATOM 0 HA ARG A 48 2.098 -1.189 5.739 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.785 0.851 7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.387 -0.855 7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.897 -1.324 7.915 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.133 0.404 8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.977 -0.323 9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.259 -1.492 10.089 1.00 0.00 H new ATOM 0 HE ARG A 48 2.331 1.365 10.773 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.303 -1.466 9.946 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.749 -0.842 10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.202 2.170 11.809 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.692 1.221 11.802 1.00 0.00 H new ATOM 706 N LEU A 49 0.130 -1.449 4.272 1.00 0.00 N ATOM 707 CA LEU A 49 -1.049 -1.688 3.458 1.00 0.00 C ATOM 708 C LEU A 49 -1.598 -3.084 3.761 1.00 0.00 C ATOM 709 O LEU A 49 -0.832 -4.027 3.957 1.00 0.00 O ATOM 710 CB LEU A 49 -0.735 -1.458 1.978 1.00 0.00 C ATOM 711 CG LEU A 49 0.224 -0.308 1.667 1.00 0.00 C ATOM 712 CD1 LEU A 49 1.115 -0.644 0.470 1.00 0.00 C ATOM 713 CD2 LEU A 49 -0.539 1.002 1.464 1.00 0.00 C ATOM 0 H LEU A 49 0.876 -2.134 4.153 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.835 -0.975 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.314 -2.377 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.672 -1.276 1.452 1.00 0.00 H new ATOM 0 HG LEU A 49 0.880 -0.169 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.787 0.191 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.701 -1.536 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.493 -0.826 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.166 1.804 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.235 0.893 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.093 1.245 2.371 1.00 0.00 H new ATOM 725 N LYS A 50 -2.919 -3.173 3.788 1.00 0.00 N ATOM 726 CA LYS A 50 -3.579 -4.438 4.063 1.00 0.00 C ATOM 727 C LYS A 50 -4.133 -5.014 2.758 1.00 0.00 C ATOM 728 O LYS A 50 -5.346 -5.071 2.566 1.00 0.00 O ATOM 729 CB LYS A 50 -4.636 -4.265 5.156 1.00 0.00 C ATOM 730 CG LYS A 50 -5.369 -5.580 5.423 1.00 0.00 C ATOM 731 CD LYS A 50 -6.319 -5.447 6.615 1.00 0.00 C ATOM 732 CE LYS A 50 -7.619 -4.753 6.207 1.00 0.00 C ATOM 733 NZ LYS A 50 -8.535 -4.646 7.364 1.00 0.00 N ATOM 0 H LYS A 50 -3.551 -2.389 3.624 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.865 -5.163 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.162 -3.916 6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.352 -3.500 4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.931 -5.873 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.645 -6.371 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.541 -6.435 7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.834 -4.880 7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.400 -3.759 5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.101 -5.312 5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.413 -4.172 7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.758 -5.598 7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.079 -4.093 8.118 1.00 0.00 H new ATOM 747 N LEU A 51 -3.216 -5.426 1.894 1.00 0.00 N ATOM 748 CA LEU A 51 -3.598 -5.995 0.613 1.00 0.00 C ATOM 749 C LEU A 51 -3.637 -7.520 0.729 1.00 0.00 C ATOM 750 O LEU A 51 -2.875 -8.108 1.495 1.00 0.00 O ATOM 751 CB LEU A 51 -2.674 -5.486 -0.495 1.00 0.00 C ATOM 752 CG LEU A 51 -1.351 -6.235 -0.662 1.00 0.00 C ATOM 753 CD1 LEU A 51 -0.520 -6.173 0.621 1.00 0.00 C ATOM 754 CD2 LEU A 51 -1.588 -7.675 -1.122 1.00 0.00 C ATOM 0 H LEU A 51 -2.210 -5.377 2.056 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.601 -5.670 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.215 -5.529 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.453 -4.436 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.775 -5.739 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.415 -6.713 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.304 -5.133 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.078 -6.629 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.630 -8.184 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.194 -8.198 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.109 -7.670 -2.079 1.00 0.00 H new ATOM 988 N GLY A 68 7.552 -4.745 -7.782 1.00 0.00 N ATOM 989 CA GLY A 68 7.270 -3.753 -8.804 1.00 0.00 C ATOM 990 C GLY A 68 6.486 -2.575 -8.224 1.00 0.00 C ATOM 991 O GLY A 68 6.894 -1.423 -8.367 1.00 0.00 O ATOM 0 HA2 GLY A 68 8.205 -3.395 -9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.700 -4.211 -9.613 1.00 0.00 H new ATOM 995 N ILE A 69 5.376 -2.903 -7.581 1.00 0.00 N ATOM 996 CA ILE A 69 4.531 -1.885 -6.978 1.00 0.00 C ATOM 997 C ILE A 69 5.340 -1.110 -5.937 1.00 0.00 C ATOM 998 O ILE A 69 5.249 0.115 -5.863 1.00 0.00 O ATOM 999 CB ILE A 69 3.251 -2.513 -6.421 1.00 0.00 C ATOM 1000 CG1 ILE A 69 2.248 -2.797 -7.540 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.648 -1.641 -5.319 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.493 -4.103 -7.282 1.00 0.00 C ATOM 0 H ILE A 69 5.041 -3.859 -7.464 1.00 0.00 H new ATOM 0 HA ILE A 69 4.204 -1.165 -7.729 1.00 0.00 H new ATOM 0 HB ILE A 69 3.509 -3.471 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.539 -1.972 -7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.770 -2.857 -8.495 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.740 -2.110 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.366 -1.533 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.407 -0.658 -5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.786 -4.281 -8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.202 -4.929 -7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.952 -4.030 -6.339 1.00 0.00 H new ATOM 1014 N GLN A 70 6.112 -1.853 -5.160 1.00 0.00 N ATOM 1015 CA GLN A 70 6.935 -1.250 -4.125 1.00 0.00 C ATOM 1016 C GLN A 70 7.836 -0.168 -4.728 1.00 0.00 C ATOM 1017 O GLN A 70 7.903 0.945 -4.211 1.00 0.00 O ATOM 1018 CB GLN A 70 7.765 -2.309 -3.397 1.00 0.00 C ATOM 1019 CG GLN A 70 8.291 -1.773 -2.065 1.00 0.00 C ATOM 1020 CD GLN A 70 9.626 -2.425 -1.700 1.00 0.00 C ATOM 1021 OE1 GLN A 70 10.693 -1.965 -2.071 1.00 0.00 O ATOM 1022 NE2 GLN A 70 9.507 -3.520 -0.954 1.00 0.00 N ATOM 0 H GLN A 70 6.186 -2.868 -5.226 1.00 0.00 H new ATOM 0 HA GLN A 70 6.278 -0.783 -3.391 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.156 -3.196 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.601 -2.616 -4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.415 -0.692 -2.128 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.561 -1.965 -1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.583 -3.851 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.340 -4.028 -0.658 1.00 0.00 H new ATOM 1031 N ASN A 71 8.503 -0.535 -5.811 1.00 0.00 N ATOM 1032 CA ASN A 71 9.396 0.390 -6.489 1.00 0.00 C ATOM 1033 C ASN A 71 8.611 1.636 -6.905 1.00 0.00 C ATOM 1034 O ASN A 71 8.913 2.741 -6.459 1.00 0.00 O ATOM 1035 CB ASN A 71 9.987 -0.241 -7.752 1.00 0.00 C ATOM 1036 CG ASN A 71 11.053 0.666 -8.370 1.00 0.00 C ATOM 1037 OD1 ASN A 71 12.017 1.056 -7.733 1.00 0.00 O ATOM 1038 ND2 ASN A 71 10.826 0.979 -9.642 1.00 0.00 N ATOM 0 H ASN A 71 8.444 -1.460 -6.237 1.00 0.00 H new ATOM 0 HA ASN A 71 10.203 0.645 -5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.425 -1.209 -7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.194 -0.423 -8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.480 1.580 -10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.998 0.618 -10.116 1.00 0.00 H new ATOM 1045 N MET A 72 7.620 1.415 -7.756 1.00 0.00 N ATOM 1046 CA MET A 72 6.790 2.508 -8.237 1.00 0.00 C ATOM 1047 C MET A 72 6.482 3.498 -7.113 1.00 0.00 C ATOM 1048 O MET A 72 6.602 4.709 -7.297 1.00 0.00 O ATOM 1049 CB MET A 72 5.482 1.945 -8.796 1.00 0.00 C ATOM 1050 CG MET A 72 4.466 3.064 -9.042 1.00 0.00 C ATOM 1051 SD MET A 72 3.256 3.089 -7.730 1.00 0.00 S ATOM 1052 CE MET A 72 2.534 1.470 -7.942 1.00 0.00 C ATOM 0 H MET A 72 7.373 0.497 -8.125 1.00 0.00 H new ATOM 0 HA MET A 72 7.333 3.036 -9.021 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.678 1.415 -9.728 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.067 1.218 -8.098 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.977 4.025 -9.095 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.971 2.913 -10.001 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.518 1.572 -8.324 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.132 0.895 -8.649 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.511 0.953 -6.982 1.00 0.00 H new ATOM 1062 N LEU A 73 6.091 2.948 -5.973 1.00 0.00 N ATOM 1063 CA LEU A 73 5.764 3.768 -4.819 1.00 0.00 C ATOM 1064 C LEU A 73 6.923 4.726 -4.536 1.00 0.00 C ATOM 1065 O LEU A 73 6.709 5.921 -4.332 1.00 0.00 O ATOM 1066 CB LEU A 73 5.389 2.888 -3.625 1.00 0.00 C ATOM 1067 CG LEU A 73 3.945 3.008 -3.132 1.00 0.00 C ATOM 1068 CD1 LEU A 73 3.746 2.238 -1.825 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.529 4.474 -3.002 1.00 0.00 C ATOM 0 H LEU A 73 5.993 1.944 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 73 4.885 4.380 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.576 1.848 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.056 3.129 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 73 3.292 2.553 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.712 2.340 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.974 1.184 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.411 2.641 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.499 4.530 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.184 4.976 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.608 4.962 -3.973 1.00 0.00 H new ATOM 1081 N GLN A 74 8.124 4.168 -4.532 1.00 0.00 N ATOM 1082 CA GLN A 74 9.317 4.957 -4.278 1.00 0.00 C ATOM 1083 C GLN A 74 9.587 5.903 -5.450 1.00 0.00 C ATOM 1084 O GLN A 74 9.916 7.071 -5.247 1.00 0.00 O ATOM 1085 CB GLN A 74 10.524 4.057 -4.010 1.00 0.00 C ATOM 1086 CG GLN A 74 10.346 3.273 -2.708 1.00 0.00 C ATOM 1087 CD GLN A 74 10.890 1.850 -2.845 1.00 0.00 C ATOM 1088 OE1 GLN A 74 12.068 1.628 -3.068 1.00 0.00 O ATOM 1089 NE2 GLN A 74 9.969 0.902 -2.700 1.00 0.00 N ATOM 0 H GLN A 74 8.297 3.177 -4.701 1.00 0.00 H new ATOM 0 HA GLN A 74 9.148 5.557 -3.384 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.657 3.364 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.428 4.663 -3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.862 3.787 -1.897 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.290 3.238 -2.442 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.999 1.157 -2.514 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.232 -0.081 -2.774 1.00 0.00 H new ATOM 1098 N PHE A 75 9.439 5.363 -6.651 1.00 0.00 N ATOM 1099 CA PHE A 75 9.664 6.144 -7.855 1.00 0.00 C ATOM 1100 C PHE A 75 8.886 7.461 -7.808 1.00 0.00 C ATOM 1101 O PHE A 75 9.447 8.527 -8.057 1.00 0.00 O ATOM 1102 CB PHE A 75 9.156 5.308 -9.032 1.00 0.00 C ATOM 1103 CG PHE A 75 8.836 6.126 -10.284 1.00 0.00 C ATOM 1104 CD1 PHE A 75 7.616 6.711 -10.422 1.00 0.00 C ATOM 1105 CD2 PHE A 75 9.772 6.267 -11.261 1.00 0.00 C ATOM 1106 CE1 PHE A 75 7.320 7.470 -11.585 1.00 0.00 C ATOM 1107 CE2 PHE A 75 9.475 7.026 -12.425 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.256 7.612 -12.562 1.00 0.00 C ATOM 0 H PHE A 75 9.166 4.394 -6.816 1.00 0.00 H new ATOM 0 HA PHE A 75 10.723 6.382 -7.951 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.906 4.558 -9.282 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.259 4.771 -8.723 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.872 6.598 -9.647 1.00 0.00 H new ATOM 0 HD2 PHE A 75 10.741 5.802 -11.152 1.00 0.00 H new ATOM 0 HE1 PHE A 75 6.351 7.935 -11.694 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.218 7.137 -13.201 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.031 8.190 -13.446 1.00 0.00 H new ATOM 1118 N TYR A 76 7.606 7.344 -7.486 1.00 0.00 N ATOM 1119 CA TYR A 76 6.746 8.512 -7.403 1.00 0.00 C ATOM 1120 C TYR A 76 7.097 9.366 -6.183 1.00 0.00 C ATOM 1121 O TYR A 76 7.387 10.553 -6.314 1.00 0.00 O ATOM 1122 CB TYR A 76 5.322 7.976 -7.243 1.00 0.00 C ATOM 1123 CG TYR A 76 4.664 7.555 -8.559 1.00 0.00 C ATOM 1124 CD1 TYR A 76 4.501 8.476 -9.574 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.234 6.256 -8.730 1.00 0.00 C ATOM 1126 CE1 TYR A 76 3.882 8.080 -10.812 1.00 0.00 C ATOM 1127 CE2 TYR A 76 3.614 5.859 -9.969 1.00 0.00 C ATOM 1128 CZ TYR A 76 3.469 6.791 -10.949 1.00 0.00 C ATOM 1129 OH TYR A 76 2.885 6.417 -12.118 1.00 0.00 O ATOM 0 H TYR A 76 7.144 6.458 -7.280 1.00 0.00 H new ATOM 0 HA TYR A 76 6.861 9.137 -8.289 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.341 7.120 -6.568 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.707 8.742 -6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.838 9.493 -9.440 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.362 5.536 -7.935 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.748 8.791 -11.614 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.272 4.845 -10.116 1.00 0.00 H new ATOM 0 HH TYR A 76 2.642 5.469 -12.074 1.00 0.00 H new ATOM 1139 N ILE A 77 7.059 8.726 -5.023 1.00 0.00 N ATOM 1140 CA ILE A 77 7.370 9.412 -3.779 1.00 0.00 C ATOM 1141 C ILE A 77 8.649 8.822 -3.182 1.00 0.00 C ATOM 1142 O ILE A 77 8.714 7.627 -2.903 1.00 0.00 O ATOM 1143 CB ILE A 77 6.171 9.368 -2.830 1.00 0.00 C ATOM 1144 CG1 ILE A 77 4.996 10.170 -3.394 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.565 9.838 -1.428 1.00 0.00 C ATOM 1146 CD1 ILE A 77 3.700 9.838 -2.651 1.00 0.00 C ATOM 0 H ILE A 77 6.818 7.741 -4.918 1.00 0.00 H new ATOM 0 HA ILE A 77 7.563 10.469 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 77 5.842 8.333 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.205 11.236 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.878 9.951 -4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.695 9.797 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.347 9.190 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.934 10.862 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.880 10.421 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.481 8.775 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.814 10.081 -1.594 1.00 0.00 H new ATOM 1158 N PRO A 78 9.661 9.711 -3.002 1.00 0.00 N ATOM 1159 CA PRO A 78 10.936 9.291 -2.443 1.00 0.00 C ATOM 1160 C PRO A 78 10.823 9.059 -0.934 1.00 0.00 C ATOM 1161 O PRO A 78 11.788 8.648 -0.292 1.00 0.00 O ATOM 1162 CB PRO A 78 11.908 10.403 -2.801 1.00 0.00 C ATOM 1163 CG PRO A 78 11.053 11.613 -3.138 1.00 0.00 C ATOM 1164 CD PRO A 78 9.621 11.135 -3.322 1.00 0.00 C ATOM 0 HA PRO A 78 11.277 8.337 -2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.578 10.618 -1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.532 10.118 -3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.109 12.354 -2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.414 12.095 -4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.937 11.670 -2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.276 11.302 -4.342 1.00 0.00 H new ATOM 1172 N GLU A 79 9.636 9.332 -0.413 1.00 0.00 N ATOM 1173 CA GLU A 79 9.384 9.158 1.007 1.00 0.00 C ATOM 1174 C GLU A 79 9.325 7.670 1.357 1.00 0.00 C ATOM 1175 O GLU A 79 10.219 7.148 2.021 1.00 0.00 O ATOM 1176 CB GLU A 79 8.099 9.871 1.428 1.00 0.00 C ATOM 1177 CG GLU A 79 8.055 11.296 0.871 1.00 0.00 C ATOM 1178 CD GLU A 79 8.271 12.326 1.983 1.00 0.00 C ATOM 1179 OE1 GLU A 79 7.906 12.003 3.134 1.00 0.00 O ATOM 1180 OE2 GLU A 79 8.794 13.413 1.655 1.00 0.00 O ATOM 0 H GLU A 79 8.838 9.673 -0.949 1.00 0.00 H new ATOM 0 HA GLU A 79 10.208 9.609 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.235 9.311 1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.034 9.900 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.822 11.415 0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.094 11.472 0.389 1.00 0.00 H new ATOM 1187 N VAL A 80 8.262 7.028 0.895 1.00 0.00 N ATOM 1188 CA VAL A 80 8.074 5.609 1.151 1.00 0.00 C ATOM 1189 C VAL A 80 9.382 4.867 0.868 1.00 0.00 C ATOM 1190 O VAL A 80 10.228 5.355 0.121 1.00 0.00 O ATOM 1191 CB VAL A 80 6.897 5.081 0.328 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.869 5.719 -1.062 1.00 0.00 C ATOM 1193 CG2 VAL A 80 6.939 3.555 0.230 1.00 0.00 C ATOM 0 H VAL A 80 7.522 7.464 0.345 1.00 0.00 H new ATOM 0 HA VAL A 80 7.824 5.439 2.198 1.00 0.00 H new ATOM 0 HB VAL A 80 5.977 5.359 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.023 5.326 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.769 6.800 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.795 5.486 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.092 3.205 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.868 3.247 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.887 3.125 1.230 1.00 0.00 H new ATOM 1203 N GLU A 81 9.507 3.699 1.482 1.00 0.00 N ATOM 1204 CA GLU A 81 10.697 2.885 1.307 1.00 0.00 C ATOM 1205 C GLU A 81 10.318 1.499 0.779 1.00 0.00 C ATOM 1206 O GLU A 81 10.816 1.070 -0.260 1.00 0.00 O ATOM 1207 CB GLU A 81 11.486 2.778 2.613 1.00 0.00 C ATOM 1208 CG GLU A 81 12.233 4.080 2.910 1.00 0.00 C ATOM 1209 CD GLU A 81 13.740 3.837 3.008 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.145 3.164 3.982 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.454 4.329 2.108 1.00 0.00 O ATOM 0 H GLU A 81 8.803 3.297 2.101 1.00 0.00 H new ATOM 0 HA GLU A 81 11.340 3.369 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.807 2.548 3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.196 1.954 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.029 4.808 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.868 4.508 3.844 1.00 0.00 H new ATOM 1218 N GLY A 82 9.442 0.838 1.521 1.00 0.00 N ATOM 1219 CA GLY A 82 8.991 -0.490 1.141 1.00 0.00 C ATOM 1220 C GLY A 82 7.484 -0.641 1.355 1.00 0.00 C ATOM 1221 O GLY A 82 6.782 0.348 1.559 1.00 0.00 O ATOM 0 H GLY A 82 9.032 1.197 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.233 -0.674 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.522 -1.240 1.728 1.00 0.00 H new ATOM 1225 N VAL A 83 7.032 -1.884 1.302 1.00 0.00 N ATOM 1226 CA VAL A 83 5.620 -2.176 1.488 1.00 0.00 C ATOM 1227 C VAL A 83 5.472 -3.367 2.437 1.00 0.00 C ATOM 1228 O VAL A 83 6.406 -4.148 2.612 1.00 0.00 O ATOM 1229 CB VAL A 83 4.951 -2.405 0.132 1.00 0.00 C ATOM 1230 CG1 VAL A 83 3.502 -2.864 0.306 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.027 -1.148 -0.736 1.00 0.00 C ATOM 0 H VAL A 83 7.618 -2.702 1.133 1.00 0.00 H new ATOM 0 HA VAL A 83 5.111 -1.329 1.947 1.00 0.00 H new ATOM 0 HB VAL A 83 5.495 -3.199 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.050 -3.020 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.481 -3.798 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.942 -2.102 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.544 -1.338 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.520 -0.326 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.071 -0.883 -0.902 1.00 0.00 H new ATOM 1241 N GLU A 84 4.289 -3.469 3.026 1.00 0.00 N ATOM 1242 CA GLU A 84 4.005 -4.551 3.952 1.00 0.00 C ATOM 1243 C GLU A 84 2.512 -4.888 3.935 1.00 0.00 C ATOM 1244 O GLU A 84 1.674 -3.999 3.792 1.00 0.00 O ATOM 1245 CB GLU A 84 4.471 -4.198 5.366 1.00 0.00 C ATOM 1246 CG GLU A 84 5.358 -5.303 5.943 1.00 0.00 C ATOM 1247 CD GLU A 84 4.551 -6.578 6.198 1.00 0.00 C ATOM 1248 OE1 GLU A 84 3.676 -6.527 7.090 1.00 0.00 O ATOM 1249 OE2 GLU A 84 4.826 -7.574 5.496 1.00 0.00 O ATOM 0 H GLU A 84 3.516 -2.819 2.879 1.00 0.00 H new ATOM 0 HA GLU A 84 4.560 -5.433 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.022 -3.258 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.605 -4.048 6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.174 -5.517 5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.810 -4.962 6.875 1.00 0.00 H new ATOM 1256 N GLN A 85 2.226 -6.174 4.082 1.00 0.00 N ATOM 1257 CA GLN A 85 0.850 -6.638 4.085 1.00 0.00 C ATOM 1258 C GLN A 85 0.301 -6.666 5.512 1.00 0.00 C ATOM 1259 O GLN A 85 0.262 -7.719 6.145 1.00 0.00 O ATOM 1260 CB GLN A 85 0.735 -8.015 3.425 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.722 -8.343 3.092 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.232 -9.502 3.950 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -1.141 -10.664 3.588 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -1.775 -9.123 5.104 1.00 0.00 N ATOM 0 H GLN A 85 2.924 -6.908 4.200 1.00 0.00 H new ATOM 0 HA GLN A 85 0.250 -5.940 3.501 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.334 -8.037 2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.140 -8.777 4.091 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.344 -7.463 3.257 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.808 -8.601 2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.820 -8.133 5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.147 -9.822 5.747 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.108 -5.495 5.977 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.653 -5.372 7.319 1.00 0.00 C ATOM 1275 C VAL A 86 -1.960 -6.161 7.409 1.00 0.00 C ATOM 1276 O VAL A 86 -2.585 -6.452 6.389 1.00 0.00 O ATOM 1277 CB VAL A 86 -0.821 -3.894 7.682 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.537 -3.233 7.930 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -1.603 -3.149 6.599 1.00 0.00 C ATOM 0 H VAL A 86 -0.073 -4.623 5.449 1.00 0.00 H new ATOM 0 HA VAL A 86 0.034 -5.797 8.050 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.395 -3.839 8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.390 -2.184 8.186 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.043 -3.739 8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.146 -3.305 7.029 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.708 -2.102 6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.068 -3.217 5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.591 -3.596 6.491 1.00 0.00 H new