USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 478 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 CYS SG : rot 89:sc= 0.132 USER MOD Single : A 15 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-9.6!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0479) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -160:sc= -0.0408 (180deg=-0.37) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -157:sc= -0.127 (180deg=-0.659) USER MOD Single : A 52 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.014) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.0364 (180deg=-0.285) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0878 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 3.712 -8.145 10.640 1.00 0.00 N ATOM 67 CA PHE A 8 3.128 -7.348 9.567 1.00 0.00 C ATOM 68 C PHE A 8 1.632 -7.618 9.441 1.00 0.00 C ATOM 69 O PHE A 8 1.202 -8.770 9.372 1.00 0.00 O ATOM 70 CB PHE A 8 3.826 -7.651 8.240 1.00 0.00 C ATOM 71 CG PHE A 8 5.220 -7.097 8.155 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.430 -5.735 8.006 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.319 -7.937 8.224 1.00 0.00 C ATOM 74 CE1 PHE A 8 6.711 -5.222 7.928 1.00 0.00 C ATOM 75 CE2 PHE A 8 7.602 -7.429 8.147 1.00 0.00 C ATOM 76 CZ PHE A 8 7.798 -6.070 7.998 1.00 0.00 C ATOM 0 HA PHE A 8 3.270 -6.295 9.812 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.864 -8.731 8.097 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.231 -7.242 7.424 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.583 -5.067 7.950 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.172 -9.001 8.339 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.861 -4.159 7.812 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.451 -8.094 8.203 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.800 -5.671 7.936 1.00 0.00 H new ATOM 86 N CYS A 9 0.844 -6.549 9.412 1.00 0.00 N ATOM 87 CA CYS A 9 -0.605 -6.670 9.296 1.00 0.00 C ATOM 88 C CYS A 9 -0.988 -7.417 8.023 1.00 0.00 C ATOM 89 O CYS A 9 -1.813 -8.329 8.050 1.00 0.00 O ATOM 90 CB CYS A 9 -1.255 -5.286 9.304 1.00 0.00 C ATOM 91 SG CYS A 9 -1.181 -4.444 10.903 1.00 0.00 S ATOM 0 H CYS A 9 1.184 -5.589 9.467 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.967 -7.239 10.152 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.767 -4.663 8.555 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.299 -5.385 9.006 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.081 -3.756 10.981 1.00 0.00 H new ATOM 97 N GLY A 10 -0.383 -7.023 6.906 1.00 0.00 N ATOM 98 CA GLY A 10 -0.675 -7.665 5.638 1.00 0.00 C ATOM 99 C GLY A 10 0.149 -7.098 4.498 1.00 0.00 C ATOM 100 O GLY A 10 1.339 -6.827 4.659 1.00 0.00 O ATOM 0 H GLY A 10 0.304 -6.271 6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.484 -8.735 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.734 -7.547 5.410 1.00 0.00 H new ATOM 104 N ARG A 11 -0.485 -6.920 3.344 1.00 0.00 N ATOM 105 CA ARG A 11 0.198 -6.385 2.172 1.00 0.00 C ATOM 106 C ARG A 11 -0.777 -5.635 1.270 1.00 0.00 C ATOM 107 O ARG A 11 -1.965 -5.952 1.224 1.00 0.00 O ATOM 108 CB ARG A 11 0.871 -7.514 1.388 1.00 0.00 C ATOM 109 CG ARG A 11 1.923 -7.029 0.404 1.00 0.00 C ATOM 110 CD ARG A 11 2.252 -8.094 -0.630 1.00 0.00 C ATOM 111 NE ARG A 11 3.287 -9.012 -0.159 1.00 0.00 N ATOM 112 CZ ARG A 11 4.048 -9.739 -0.970 1.00 0.00 C ATOM 113 NH1 ARG A 11 3.892 -9.655 -2.284 1.00 0.00 N ATOM 114 NH2 ARG A 11 4.968 -10.551 -0.466 1.00 0.00 N ATOM 0 H ARG A 11 -1.470 -7.138 3.195 1.00 0.00 H new ATOM 0 HA ARG A 11 0.960 -5.685 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.335 -8.207 2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.109 -8.073 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.566 -6.130 -0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.828 -6.753 0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.350 -8.657 -0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.584 -7.615 -1.551 1.00 0.00 H new ATOM 0 HE ARG A 11 3.433 -9.099 0.847 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.186 -9.031 -2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.478 -10.214 -2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.091 -10.617 0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.552 -11.109 -1.089 1.00 0.00 H new ATOM 128 N ALA A 12 -0.266 -4.639 0.554 1.00 0.00 N ATOM 129 CA ALA A 12 -1.091 -3.845 -0.348 1.00 0.00 C ATOM 130 C ALA A 12 -0.376 -3.598 -1.672 1.00 0.00 C ATOM 131 O ALA A 12 0.853 -3.548 -1.725 1.00 0.00 O ATOM 132 CB ALA A 12 -1.467 -2.523 0.306 1.00 0.00 C ATOM 0 H ALA A 12 0.716 -4.363 0.581 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.002 -4.407 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.083 -1.940 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.026 -2.716 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.562 -1.964 0.544 1.00 0.00 H new ATOM 138 N ARG A 13 -1.153 -3.445 -2.740 1.00 0.00 N ATOM 139 CA ARG A 13 -0.593 -3.205 -4.064 1.00 0.00 C ATOM 140 C ARG A 13 -0.866 -1.775 -4.519 1.00 0.00 C ATOM 141 O ARG A 13 -2.017 -1.341 -4.585 1.00 0.00 O ATOM 142 CB ARG A 13 -1.178 -4.193 -5.075 1.00 0.00 C ATOM 143 CG ARG A 13 -0.519 -4.127 -6.443 1.00 0.00 C ATOM 144 CD ARG A 13 -0.859 -5.347 -7.285 1.00 0.00 C ATOM 145 NE ARG A 13 -2.066 -5.144 -8.080 1.00 0.00 N ATOM 146 CZ ARG A 13 -2.080 -4.508 -9.247 1.00 0.00 C ATOM 147 NH1 ARG A 13 -0.956 -4.017 -9.751 1.00 0.00 N ATOM 148 NH2 ARG A 13 -3.219 -4.363 -9.912 1.00 0.00 N ATOM 0 H ARG A 13 -2.172 -3.483 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 13 0.486 -3.350 -4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.078 -5.204 -4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.245 -3.998 -5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.843 -3.224 -6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.562 -4.055 -6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.023 -5.575 -7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.995 -6.210 -6.634 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.947 -5.510 -7.720 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.078 -4.127 -9.243 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.969 -3.529 -10.647 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.085 -4.740 -9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.228 -3.875 -10.807 1.00 0.00 H new ATOM 162 N VAL A 14 0.200 -1.045 -4.832 1.00 0.00 N ATOM 163 CA VAL A 14 0.076 0.337 -5.281 1.00 0.00 C ATOM 164 C VAL A 14 -0.544 0.409 -6.672 1.00 0.00 C ATOM 165 O VAL A 14 0.107 0.096 -7.670 1.00 0.00 O ATOM 166 CB VAL A 14 1.443 1.045 -5.302 1.00 0.00 C ATOM 167 CG1 VAL A 14 1.326 2.413 -5.958 1.00 0.00 C ATOM 168 CG2 VAL A 14 2.002 1.166 -3.893 1.00 0.00 C ATOM 0 H VAL A 14 1.159 -1.388 -4.783 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.576 0.844 -4.570 1.00 0.00 H new ATOM 0 HB VAL A 14 2.135 0.444 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.302 2.898 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.973 2.296 -6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.619 3.026 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.969 1.669 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.314 1.744 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.125 0.172 -3.464 1.00 0.00 H new ATOM 178 N HIS A 15 -1.805 0.824 -6.732 1.00 0.00 N ATOM 179 CA HIS A 15 -2.513 0.939 -8.002 1.00 0.00 C ATOM 180 C HIS A 15 -2.205 2.272 -8.677 1.00 0.00 C ATOM 181 O HIS A 15 -2.094 2.349 -9.901 1.00 0.00 O ATOM 182 CB HIS A 15 -4.020 0.800 -7.784 1.00 0.00 C ATOM 183 CG HIS A 15 -4.617 1.922 -6.992 1.00 0.00 C ATOM 184 ND1 HIS A 15 -5.163 3.047 -7.574 1.00 0.00 N ATOM 185 CD2 HIS A 15 -4.752 2.089 -5.656 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.608 3.857 -6.630 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.371 3.299 -5.456 1.00 0.00 N ATOM 0 H HIS A 15 -2.358 1.086 -5.916 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.172 0.135 -8.654 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.516 0.747 -8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.219 -0.141 -7.272 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.432 1.399 -4.889 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.085 4.813 -6.791 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.609 3.701 -4.549 1.00 0.00 H new ATOM 195 N THR A 16 -2.069 3.320 -7.871 1.00 0.00 N ATOM 196 CA THR A 16 -1.777 4.650 -8.390 1.00 0.00 C ATOM 197 C THR A 16 -0.327 5.038 -8.122 1.00 0.00 C ATOM 198 O THR A 16 0.259 4.633 -7.118 1.00 0.00 O ATOM 199 CB THR A 16 -2.704 5.712 -7.769 1.00 0.00 C ATOM 200 OG1 THR A 16 -2.653 6.918 -8.540 1.00 0.00 O ATOM 201 CG2 THR A 16 -2.303 6.007 -6.332 1.00 0.00 C ATOM 0 H THR A 16 -2.156 3.273 -6.856 1.00 0.00 H new ATOM 0 HA THR A 16 -1.948 4.614 -9.466 1.00 0.00 H new ATOM 0 HB THR A 16 -3.721 5.321 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.246 7.587 -8.140 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.972 6.760 -5.915 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.370 5.094 -5.741 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.279 6.379 -6.309 1.00 0.00 H new ATOM 209 N ASP A 17 0.246 5.826 -9.025 1.00 0.00 N ATOM 210 CA ASP A 17 1.628 6.271 -8.885 1.00 0.00 C ATOM 211 C ASP A 17 1.689 7.686 -8.317 1.00 0.00 C ATOM 212 O ASP A 17 1.342 8.653 -8.995 1.00 0.00 O ATOM 213 CB ASP A 17 2.342 6.219 -10.236 1.00 0.00 C ATOM 214 CG ASP A 17 1.458 6.684 -11.377 1.00 0.00 C ATOM 215 OD1 ASP A 17 0.661 7.621 -11.165 1.00 0.00 O ATOM 216 OD2 ASP A 17 1.563 6.110 -12.481 1.00 0.00 O ATOM 0 H ASP A 17 -0.225 6.170 -9.862 1.00 0.00 H new ATOM 0 HA ASP A 17 2.132 5.599 -8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.236 6.842 -10.196 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.673 5.199 -10.429 1.00 0.00 H new ATOM 221 N PHE A 18 2.130 7.799 -7.069 1.00 0.00 N ATOM 222 CA PHE A 18 2.234 9.095 -6.409 1.00 0.00 C ATOM 223 C PHE A 18 3.675 9.380 -5.995 1.00 0.00 C ATOM 224 O PHE A 18 4.305 8.578 -5.305 1.00 0.00 O ATOM 225 CB PHE A 18 1.320 9.142 -5.183 1.00 0.00 C ATOM 226 CG PHE A 18 1.440 10.414 -4.394 1.00 0.00 C ATOM 227 CD1 PHE A 18 2.608 10.713 -3.711 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.386 11.311 -4.336 1.00 0.00 C ATOM 229 CE1 PHE A 18 2.721 11.882 -2.983 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.493 12.482 -3.610 1.00 0.00 C ATOM 231 CZ PHE A 18 1.663 12.769 -2.934 1.00 0.00 C ATOM 0 H PHE A 18 2.421 7.008 -6.494 1.00 0.00 H new ATOM 0 HA PHE A 18 1.919 9.862 -7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.286 9.020 -5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.553 8.298 -4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.439 10.025 -3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.530 11.093 -4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.636 12.102 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.337 13.172 -3.571 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.750 13.685 -2.368 1.00 0.00 H new ATOM 241 N THR A 19 4.191 10.529 -6.421 1.00 0.00 N ATOM 242 CA THR A 19 5.556 10.920 -6.096 1.00 0.00 C ATOM 243 C THR A 19 5.579 12.190 -5.253 1.00 0.00 C ATOM 244 O THR A 19 5.312 13.290 -5.737 1.00 0.00 O ATOM 245 CB THR A 19 6.393 11.148 -7.370 1.00 0.00 C ATOM 246 OG1 THR A 19 6.171 10.082 -8.299 1.00 0.00 O ATOM 247 CG2 THR A 19 7.874 11.237 -7.035 1.00 0.00 C ATOM 0 H THR A 19 3.683 11.205 -6.992 1.00 0.00 H new ATOM 0 HA THR A 19 5.992 10.100 -5.525 1.00 0.00 H new ATOM 0 HB THR A 19 6.082 12.091 -7.820 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.705 10.235 -9.106 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.445 11.398 -7.949 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.043 12.068 -6.351 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.197 10.308 -6.564 1.00 0.00 H new ATOM 255 N PRO A 20 5.906 12.038 -3.961 1.00 0.00 N ATOM 256 CA PRO A 20 5.972 13.163 -3.024 1.00 0.00 C ATOM 257 C PRO A 20 7.147 14.090 -3.313 1.00 0.00 C ATOM 258 O PRO A 20 8.009 13.777 -4.134 1.00 0.00 O ATOM 259 CB PRO A 20 6.150 12.481 -1.665 1.00 0.00 C ATOM 260 CG PRO A 20 6.783 11.170 -1.978 1.00 0.00 C ATOM 261 CD PRO A 20 6.236 10.756 -3.317 1.00 0.00 C ATOM 0 HA PRO A 20 5.088 13.798 -3.086 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.779 13.076 -1.003 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.193 12.348 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.869 11.259 -2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.546 10.430 -1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.970 10.193 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.357 10.120 -3.213 1.00 0.00 H new ATOM 269 N SER A 21 7.176 15.232 -2.633 1.00 0.00 N ATOM 270 CA SER A 21 8.244 16.206 -2.820 1.00 0.00 C ATOM 271 C SER A 21 9.591 15.623 -2.402 1.00 0.00 C ATOM 272 O SER A 21 9.669 14.635 -1.671 1.00 0.00 O ATOM 273 CB SER A 21 7.953 17.474 -2.014 1.00 0.00 C ATOM 274 OG SER A 21 7.203 18.402 -2.778 1.00 0.00 O ATOM 0 H SER A 21 6.472 15.505 -1.948 1.00 0.00 H new ATOM 0 HA SER A 21 8.290 16.459 -3.879 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.404 17.215 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.891 17.931 -1.698 1.00 0.00 H new ATOM 0 HG SER A 21 7.028 19.203 -2.241 1.00 0.00 H new ATOM 280 N PRO A 22 10.678 16.248 -2.878 1.00 0.00 N ATOM 281 CA PRO A 22 12.042 15.809 -2.567 1.00 0.00 C ATOM 282 C PRO A 22 12.415 16.060 -1.110 1.00 0.00 C ATOM 283 O PRO A 22 13.274 15.377 -0.552 1.00 0.00 O ATOM 284 CB PRO A 22 12.909 16.663 -3.496 1.00 0.00 C ATOM 285 CG PRO A 22 12.094 17.882 -3.760 1.00 0.00 C ATOM 286 CD PRO A 22 10.660 17.431 -3.754 1.00 0.00 C ATOM 0 HA PRO A 22 12.167 14.736 -2.711 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.860 16.916 -3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.140 16.133 -4.420 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.268 18.640 -2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.359 18.328 -4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.997 18.206 -3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.313 17.183 -4.757 1.00 0.00 H new ATOM 294 N TYR A 23 11.763 17.043 -0.499 1.00 0.00 N ATOM 295 CA TYR A 23 12.027 17.385 0.894 1.00 0.00 C ATOM 296 C TYR A 23 11.187 16.527 1.834 1.00 0.00 C ATOM 297 O TYR A 23 11.678 16.038 2.852 1.00 0.00 O ATOM 298 CB TYR A 23 11.737 18.867 1.141 1.00 0.00 C ATOM 299 CG TYR A 23 12.668 19.798 0.398 1.00 0.00 C ATOM 300 CD1 TYR A 23 12.438 20.127 -0.932 1.00 0.00 C ATOM 301 CD2 TYR A 23 13.777 20.350 1.028 1.00 0.00 C ATOM 302 CE1 TYR A 23 13.287 20.977 -1.614 1.00 0.00 C ATOM 303 CE2 TYR A 23 14.630 21.202 0.354 1.00 0.00 C ATOM 304 CZ TYR A 23 14.382 21.512 -0.967 1.00 0.00 C ATOM 305 OH TYR A 23 15.229 22.360 -1.643 1.00 0.00 O ATOM 0 H TYR A 23 11.048 17.617 -0.946 1.00 0.00 H new ATOM 0 HA TYR A 23 13.080 17.189 1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.710 19.082 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.810 19.070 2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.581 19.711 -1.441 1.00 0.00 H new ATOM 0 HD2 TYR A 23 13.975 20.109 2.062 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.095 21.221 -2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.487 21.623 0.859 1.00 0.00 H new ATOM 0 HH TYR A 23 15.949 22.649 -1.044 1.00 0.00 H new ATOM 315 N ASP A 24 9.917 16.348 1.486 1.00 0.00 N ATOM 316 CA ASP A 24 9.007 15.548 2.297 1.00 0.00 C ATOM 317 C ASP A 24 9.493 14.105 2.395 1.00 0.00 C ATOM 318 O ASP A 24 9.468 13.362 1.414 1.00 0.00 O ATOM 319 CB ASP A 24 7.597 15.586 1.707 1.00 0.00 C ATOM 320 CG ASP A 24 6.854 16.858 2.062 1.00 0.00 C ATOM 321 OD1 ASP A 24 7.213 17.926 1.522 1.00 0.00 O ATOM 322 OD2 ASP A 24 5.913 16.787 2.881 1.00 0.00 O ATOM 0 H ASP A 24 9.495 16.746 0.647 1.00 0.00 H new ATOM 0 HA ASP A 24 8.984 15.973 3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.658 15.495 0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.032 14.726 2.068 1.00 0.00 H new ATOM 327 N THR A 25 9.935 13.714 3.587 1.00 0.00 N ATOM 328 CA THR A 25 10.429 12.362 3.813 1.00 0.00 C ATOM 329 C THR A 25 9.313 11.443 4.296 1.00 0.00 C ATOM 330 O THR A 25 9.287 10.257 3.969 1.00 0.00 O ATOM 331 CB THR A 25 11.573 12.347 4.843 1.00 0.00 C ATOM 332 OG1 THR A 25 11.170 13.033 6.034 1.00 0.00 O ATOM 333 CG2 THR A 25 12.823 13.001 4.274 1.00 0.00 C ATOM 0 H THR A 25 9.961 14.315 4.410 1.00 0.00 H new ATOM 0 HA THR A 25 10.807 11.999 2.857 1.00 0.00 H new ATOM 0 HB THR A 25 11.802 11.309 5.082 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.903 13.017 6.684 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.617 12.978 5.020 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.145 12.459 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.604 14.035 4.009 1.00 0.00 H new ATOM 341 N ASP A 26 8.391 11.999 5.076 1.00 0.00 N ATOM 342 CA ASP A 26 7.271 11.229 5.603 1.00 0.00 C ATOM 343 C ASP A 26 6.469 10.592 4.472 1.00 0.00 C ATOM 344 O ASP A 26 6.247 9.381 4.461 1.00 0.00 O ATOM 345 CB ASP A 26 6.362 12.123 6.448 1.00 0.00 C ATOM 346 CG ASP A 26 7.143 13.004 7.404 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.186 12.545 7.916 1.00 0.00 O ATOM 348 OD2 ASP A 26 6.712 14.152 7.638 1.00 0.00 O ATOM 0 H ASP A 26 8.398 12.980 5.357 1.00 0.00 H new ATOM 0 HA ASP A 26 7.673 10.435 6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.760 12.750 5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.670 11.500 7.015 1.00 0.00 H new ATOM 353 N SER A 27 6.036 11.416 3.523 1.00 0.00 N ATOM 354 CA SER A 27 5.255 10.934 2.390 1.00 0.00 C ATOM 355 C SER A 27 6.039 9.897 1.591 1.00 0.00 C ATOM 356 O SER A 27 7.009 10.227 0.907 1.00 0.00 O ATOM 357 CB SER A 27 4.859 12.100 1.484 1.00 0.00 C ATOM 358 OG SER A 27 4.082 13.053 2.188 1.00 0.00 O ATOM 0 H SER A 27 6.213 12.421 3.516 1.00 0.00 H new ATOM 0 HA SER A 27 4.352 10.462 2.777 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.755 12.578 1.089 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.294 11.725 0.630 1.00 0.00 H new ATOM 0 HG SER A 27 3.843 13.789 1.587 1.00 0.00 H new ATOM 364 N LEU A 28 5.612 8.642 1.683 1.00 0.00 N ATOM 365 CA LEU A 28 6.273 7.556 0.969 1.00 0.00 C ATOM 366 C LEU A 28 6.028 7.662 -0.533 1.00 0.00 C ATOM 367 O LEU A 28 5.043 8.256 -0.972 1.00 0.00 O ATOM 368 CB LEU A 28 5.776 6.204 1.484 1.00 0.00 C ATOM 369 CG LEU A 28 5.899 5.974 2.991 1.00 0.00 C ATOM 370 CD1 LEU A 28 4.959 4.866 3.440 1.00 0.00 C ATOM 371 CD2 LEU A 28 7.336 5.640 3.364 1.00 0.00 C ATOM 0 H LEU A 28 4.812 8.352 2.245 1.00 0.00 H new ATOM 0 HA LEU A 28 7.345 7.635 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.728 6.094 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.328 5.417 0.970 1.00 0.00 H new ATOM 0 HG LEU A 28 5.616 6.893 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.060 4.716 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.931 5.144 3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.211 3.942 2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.405 5.480 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.647 4.735 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.987 6.466 3.078 1.00 0.00 H new ATOM 383 N LYS A 29 6.929 7.080 -1.317 1.00 0.00 N ATOM 384 CA LYS A 29 6.810 7.106 -2.770 1.00 0.00 C ATOM 385 C LYS A 29 5.968 5.935 -3.267 1.00 0.00 C ATOM 386 O LYS A 29 6.349 4.774 -3.113 1.00 0.00 O ATOM 387 CB LYS A 29 8.196 7.062 -3.417 1.00 0.00 C ATOM 388 CG LYS A 29 8.220 7.591 -4.841 1.00 0.00 C ATOM 389 CD LYS A 29 9.631 7.618 -5.402 1.00 0.00 C ATOM 390 CE LYS A 29 10.087 6.233 -5.833 1.00 0.00 C ATOM 391 NZ LYS A 29 11.502 6.234 -6.297 1.00 0.00 N ATOM 0 H LYS A 29 7.750 6.584 -0.970 1.00 0.00 H new ATOM 0 HA LYS A 29 6.314 8.034 -3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.890 7.644 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.556 6.033 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.588 6.967 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.799 8.596 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.672 8.297 -6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.315 8.009 -4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.979 5.539 -4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.442 5.871 -6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.775 5.272 -6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.601 6.877 -7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.120 6.555 -5.525 1.00 0.00 H new ATOM 405 N LEU A 30 4.823 6.247 -3.865 1.00 0.00 N ATOM 406 CA LEU A 30 3.928 5.220 -4.387 1.00 0.00 C ATOM 407 C LEU A 30 4.027 5.133 -5.907 1.00 0.00 C ATOM 408 O LEU A 30 3.996 6.148 -6.602 1.00 0.00 O ATOM 409 CB LEU A 30 2.485 5.516 -3.975 1.00 0.00 C ATOM 410 CG LEU A 30 2.253 5.780 -2.487 1.00 0.00 C ATOM 411 CD1 LEU A 30 0.838 6.285 -2.248 1.00 0.00 C ATOM 412 CD2 LEU A 30 2.516 4.520 -1.675 1.00 0.00 C ATOM 0 H LEU A 30 4.493 7.203 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 30 4.230 4.261 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.139 6.384 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.862 4.673 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 30 2.951 6.551 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.692 6.467 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.685 7.213 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.122 5.537 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.346 4.726 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.842 3.728 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.548 4.202 -1.821 1.00 0.00 H new ATOM 424 N LYS A 31 4.144 3.911 -6.417 1.00 0.00 N ATOM 425 CA LYS A 31 4.244 3.689 -7.855 1.00 0.00 C ATOM 426 C LYS A 31 3.467 2.443 -8.268 1.00 0.00 C ATOM 427 O LYS A 31 3.453 1.442 -7.552 1.00 0.00 O ATOM 428 CB LYS A 31 5.710 3.549 -8.270 1.00 0.00 C ATOM 429 CG LYS A 31 5.985 3.999 -9.694 1.00 0.00 C ATOM 430 CD LYS A 31 5.803 2.860 -10.683 1.00 0.00 C ATOM 431 CE LYS A 31 6.259 3.256 -12.079 1.00 0.00 C ATOM 432 NZ LYS A 31 7.743 3.319 -12.181 1.00 0.00 N ATOM 0 H LYS A 31 4.172 3.060 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 31 3.810 4.551 -8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.329 4.132 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.011 2.507 -8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.315 4.818 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.002 4.385 -9.765 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.369 1.991 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.754 2.566 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.875 2.538 -12.804 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.836 4.227 -12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.017 3.458 -13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.097 4.113 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.153 2.430 -11.830 1.00 0.00 H new ATOM 446 N LYS A 32 2.822 2.511 -9.428 1.00 0.00 N ATOM 447 CA LYS A 32 2.045 1.388 -9.939 1.00 0.00 C ATOM 448 C LYS A 32 2.884 0.114 -9.967 1.00 0.00 C ATOM 449 O LYS A 32 3.850 0.012 -10.722 1.00 0.00 O ATOM 450 CB LYS A 32 1.523 1.699 -11.343 1.00 0.00 C ATOM 451 CG LYS A 32 0.148 2.343 -11.352 1.00 0.00 C ATOM 452 CD LYS A 32 -0.024 3.275 -12.539 1.00 0.00 C ATOM 453 CE LYS A 32 -1.425 3.866 -12.586 1.00 0.00 C ATOM 454 NZ LYS A 32 -1.682 4.582 -13.867 1.00 0.00 N ATOM 0 H LYS A 32 2.822 3.333 -10.032 1.00 0.00 H new ATOM 0 HA LYS A 32 1.199 1.230 -9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.228 2.361 -11.845 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.486 0.775 -11.921 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.618 1.568 -11.383 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.000 2.900 -10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.709 4.079 -12.481 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.173 2.730 -13.462 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.159 3.070 -12.461 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.557 4.555 -11.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.647 4.970 -13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.997 5.357 -13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.581 3.919 -14.662 1.00 0.00 H new ATOM 468 N GLY A 33 2.507 -0.857 -9.140 1.00 0.00 N ATOM 469 CA GLY A 33 3.234 -2.111 -9.087 1.00 0.00 C ATOM 470 C GLY A 33 4.280 -2.129 -7.990 1.00 0.00 C ATOM 471 O GLY A 33 5.398 -2.602 -8.197 1.00 0.00 O ATOM 0 H GLY A 33 1.710 -0.797 -8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.531 -2.929 -8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.717 -2.288 -10.048 1.00 0.00 H new ATOM 475 N ASP A 34 3.918 -1.613 -6.821 1.00 0.00 N ATOM 476 CA ASP A 34 4.834 -1.571 -5.687 1.00 0.00 C ATOM 477 C ASP A 34 4.176 -2.143 -4.436 1.00 0.00 C ATOM 478 O ASP A 34 3.038 -1.802 -4.110 1.00 0.00 O ATOM 479 CB ASP A 34 5.292 -0.135 -5.427 1.00 0.00 C ATOM 480 CG ASP A 34 6.201 0.389 -6.521 1.00 0.00 C ATOM 481 OD1 ASP A 34 6.013 -0.008 -7.690 1.00 0.00 O ATOM 482 OD2 ASP A 34 7.101 1.197 -6.209 1.00 0.00 O ATOM 0 H ASP A 34 2.997 -1.218 -6.634 1.00 0.00 H new ATOM 0 HA ASP A 34 5.703 -2.182 -5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.419 0.512 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.815 -0.091 -4.472 1.00 0.00 H new ATOM 487 N ILE A 35 4.897 -3.014 -3.739 1.00 0.00 N ATOM 488 CA ILE A 35 4.383 -3.632 -2.523 1.00 0.00 C ATOM 489 C ILE A 35 4.777 -2.829 -1.288 1.00 0.00 C ATOM 490 O ILE A 35 5.903 -2.340 -1.187 1.00 0.00 O ATOM 491 CB ILE A 35 4.893 -5.077 -2.367 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.484 -5.919 -3.577 1.00 0.00 C ATOM 493 CG2 ILE A 35 4.359 -5.691 -1.082 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.015 -5.810 -3.920 1.00 0.00 C ATOM 0 H ILE A 35 5.839 -3.308 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 35 3.297 -3.646 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 35 5.981 -5.059 -2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.074 -5.611 -4.440 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.727 -6.963 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.728 -6.712 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.696 -5.101 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.269 -5.700 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.797 -6.433 -4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.418 -6.146 -3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.771 -4.772 -4.148 1.00 0.00 H new ATOM 506 N ILE A 36 3.844 -2.699 -0.351 1.00 0.00 N ATOM 507 CA ILE A 36 4.096 -1.958 0.878 1.00 0.00 C ATOM 508 C ILE A 36 3.733 -2.789 2.105 1.00 0.00 C ATOM 509 O ILE A 36 2.630 -3.327 2.198 1.00 0.00 O ATOM 510 CB ILE A 36 3.302 -0.639 0.913 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.691 0.247 -0.272 1.00 0.00 C ATOM 512 CG2 ILE A 36 3.542 0.089 2.227 1.00 0.00 C ATOM 513 CD1 ILE A 36 2.677 1.327 -0.579 1.00 0.00 C ATOM 0 H ILE A 36 2.907 -3.097 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 36 5.162 -1.732 0.897 1.00 0.00 H new ATOM 0 HB ILE A 36 2.239 -0.869 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.655 0.713 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.822 -0.378 -1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.974 1.019 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.220 -0.541 3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.604 0.311 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.019 1.916 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.717 0.868 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.563 1.976 0.289 1.00 0.00 H new ATOM 525 N ASP A 37 4.668 -2.887 3.043 1.00 0.00 N ATOM 526 CA ASP A 37 4.447 -3.649 4.266 1.00 0.00 C ATOM 527 C ASP A 37 3.626 -2.843 5.268 1.00 0.00 C ATOM 528 O ASP A 37 4.113 -1.869 5.843 1.00 0.00 O ATOM 529 CB ASP A 37 5.784 -4.053 4.890 1.00 0.00 C ATOM 530 CG ASP A 37 6.279 -5.393 4.382 1.00 0.00 C ATOM 531 OD1 ASP A 37 6.667 -5.472 3.198 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.278 -6.362 5.169 1.00 0.00 O ATOM 0 H ASP A 37 5.587 -2.448 2.980 1.00 0.00 H new ATOM 0 HA ASP A 37 3.889 -4.549 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.529 -3.288 4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.678 -4.095 5.974 1.00 0.00 H new ATOM 537 N ILE A 38 2.379 -3.255 5.472 1.00 0.00 N ATOM 538 CA ILE A 38 1.492 -2.571 6.404 1.00 0.00 C ATOM 539 C ILE A 38 1.877 -2.870 7.849 1.00 0.00 C ATOM 540 O ILE A 38 1.676 -3.982 8.338 1.00 0.00 O ATOM 541 CB ILE A 38 0.023 -2.975 6.182 1.00 0.00 C ATOM 542 CG1 ILE A 38 -0.385 -2.720 4.730 1.00 0.00 C ATOM 543 CG2 ILE A 38 -0.886 -2.213 7.135 1.00 0.00 C ATOM 544 CD1 ILE A 38 -1.703 -3.359 4.351 1.00 0.00 C ATOM 0 H ILE A 38 1.961 -4.059 5.004 1.00 0.00 H new ATOM 0 HA ILE A 38 1.599 -1.503 6.215 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.080 -4.041 6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.451 -1.645 4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.396 -3.098 4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.921 -2.510 6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.607 -2.440 8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.782 -1.142 6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.929 -3.137 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.636 -4.439 4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.495 -2.963 4.986 1.00 0.00 H new ATOM 556 N ILE A 39 2.430 -1.869 8.527 1.00 0.00 N ATOM 557 CA ILE A 39 2.840 -2.024 9.917 1.00 0.00 C ATOM 558 C ILE A 39 1.693 -1.698 10.868 1.00 0.00 C ATOM 559 O ILE A 39 1.449 -2.421 11.834 1.00 0.00 O ATOM 560 CB ILE A 39 4.043 -1.123 10.253 1.00 0.00 C ATOM 561 CG1 ILE A 39 5.210 -1.422 9.311 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.461 -1.316 11.703 1.00 0.00 C ATOM 563 CD1 ILE A 39 6.248 -0.322 9.266 1.00 0.00 C ATOM 0 H ILE A 39 2.604 -0.943 8.136 1.00 0.00 H new ATOM 0 HA ILE A 39 3.131 -3.067 10.046 1.00 0.00 H new ATOM 0 HB ILE A 39 3.749 -0.082 10.117 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.689 -2.350 9.623 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.822 -1.586 8.306 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.312 -0.672 11.925 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.630 -1.057 12.359 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.741 -2.357 11.866 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.046 -0.602 8.578 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.783 0.603 8.925 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.664 -0.173 10.262 1.00 0.00 H new ATOM 575 N SER A 40 0.991 -0.605 10.587 1.00 0.00 N ATOM 576 CA SER A 40 -0.129 -0.181 11.419 1.00 0.00 C ATOM 577 C SER A 40 -1.180 0.546 10.585 1.00 0.00 C ATOM 578 O SER A 40 -0.875 1.511 9.885 1.00 0.00 O ATOM 579 CB SER A 40 0.361 0.728 12.548 1.00 0.00 C ATOM 580 OG SER A 40 -0.674 0.986 13.480 1.00 0.00 O ATOM 0 H SER A 40 1.178 0.003 9.790 1.00 0.00 H new ATOM 0 HA SER A 40 -0.585 -1.071 11.852 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.204 0.260 13.056 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.722 1.668 12.131 1.00 0.00 H new ATOM 0 HG SER A 40 -0.335 1.568 14.192 1.00 0.00 H new ATOM 586 N LYS A 41 -2.420 0.074 10.666 1.00 0.00 N ATOM 587 CA LYS A 41 -3.518 0.678 9.921 1.00 0.00 C ATOM 588 C LYS A 41 -4.688 1.003 10.845 1.00 0.00 C ATOM 589 O LYS A 41 -5.466 0.130 11.231 1.00 0.00 O ATOM 590 CB LYS A 41 -3.981 -0.260 8.804 1.00 0.00 C ATOM 591 CG LYS A 41 -4.156 -1.701 9.254 1.00 0.00 C ATOM 592 CD LYS A 41 -5.177 -2.432 8.399 1.00 0.00 C ATOM 593 CE LYS A 41 -4.943 -3.934 8.413 1.00 0.00 C ATOM 594 NZ LYS A 41 -5.628 -4.591 9.561 1.00 0.00 N ATOM 0 H LYS A 41 -2.689 -0.725 11.240 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.157 1.607 9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.927 0.104 8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.257 -0.228 7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.198 -2.219 9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.472 -1.722 10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.181 -2.216 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.125 -2.064 7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.303 -4.366 7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.873 -4.134 8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.444 -5.614 9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.267 -4.197 10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.652 -4.421 9.497 1.00 0.00 H new ATOM 608 N PRO A 42 -4.819 2.287 11.207 1.00 0.00 N ATOM 609 CA PRO A 42 -5.893 2.756 12.088 1.00 0.00 C ATOM 610 C PRO A 42 -7.259 2.706 11.413 1.00 0.00 C ATOM 611 O PRO A 42 -7.375 2.488 10.207 1.00 0.00 O ATOM 612 CB PRO A 42 -5.498 4.204 12.389 1.00 0.00 C ATOM 613 CG PRO A 42 -4.660 4.617 11.228 1.00 0.00 C ATOM 614 CD PRO A 42 -3.928 3.381 10.785 1.00 0.00 C ATOM 0 HA PRO A 42 -5.992 2.133 12.977 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.377 4.841 12.490 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.943 4.277 13.324 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.278 5.014 10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.961 5.404 11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.766 3.374 9.707 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.947 3.305 11.255 1.00 0.00 H new ATOM 622 N PRO A 43 -8.320 2.913 12.207 1.00 0.00 N ATOM 623 CA PRO A 43 -9.698 2.897 11.707 1.00 0.00 C ATOM 624 C PRO A 43 -10.006 4.097 10.818 1.00 0.00 C ATOM 625 O PRO A 43 -10.813 4.005 9.893 1.00 0.00 O ATOM 626 CB PRO A 43 -10.540 2.948 12.985 1.00 0.00 C ATOM 627 CG PRO A 43 -9.659 3.602 13.992 1.00 0.00 C ATOM 628 CD PRO A 43 -8.256 3.179 13.654 1.00 0.00 C ATOM 0 HA PRO A 43 -9.896 2.024 11.085 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.457 3.517 12.832 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.834 1.949 13.306 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.760 4.687 13.952 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.926 3.294 15.003 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.533 3.961 13.887 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.958 2.292 14.213 1.00 0.00 H new ATOM 636 N MET A 44 -9.358 5.221 11.104 1.00 0.00 N ATOM 637 CA MET A 44 -9.562 6.439 10.328 1.00 0.00 C ATOM 638 C MET A 44 -8.349 7.358 10.429 1.00 0.00 C ATOM 639 O MET A 44 -7.895 7.685 11.525 1.00 0.00 O ATOM 640 CB MET A 44 -10.814 7.174 10.812 1.00 0.00 C ATOM 641 CG MET A 44 -11.309 8.235 9.843 1.00 0.00 C ATOM 642 SD MET A 44 -13.034 8.680 10.122 1.00 0.00 S ATOM 643 CE MET A 44 -13.865 7.215 9.512 1.00 0.00 C ATOM 0 H MET A 44 -8.687 5.314 11.867 1.00 0.00 H new ATOM 0 HA MET A 44 -9.696 6.156 9.284 1.00 0.00 H new ATOM 0 HB2 MET A 44 -11.609 6.448 10.980 1.00 0.00 H new ATOM 0 HB3 MET A 44 -10.602 7.642 11.773 1.00 0.00 H new ATOM 0 HG2 MET A 44 -10.688 9.126 9.938 1.00 0.00 H new ATOM 0 HG3 MET A 44 -11.192 7.872 8.822 1.00 0.00 H new ATOM 0 HE1 MET A 44 -14.903 7.455 9.283 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.366 6.863 8.609 1.00 0.00 H new ATOM 0 HE3 MET A 44 -13.832 6.435 10.273 1.00 0.00 H new ATOM 653 N GLY A 45 -7.827 7.770 9.278 1.00 0.00 N ATOM 654 CA GLY A 45 -6.670 8.647 9.259 1.00 0.00 C ATOM 655 C GLY A 45 -5.655 8.245 8.207 1.00 0.00 C ATOM 656 O GLY A 45 -6.009 8.001 7.053 1.00 0.00 O ATOM 0 H GLY A 45 -8.184 7.512 8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.996 9.670 9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.195 8.638 10.240 1.00 0.00 H new ATOM 660 N THR A 46 -4.388 8.178 8.604 1.00 0.00 N ATOM 661 CA THR A 46 -3.319 7.806 7.687 1.00 0.00 C ATOM 662 C THR A 46 -2.775 6.419 8.009 1.00 0.00 C ATOM 663 O THR A 46 -2.842 5.966 9.152 1.00 0.00 O ATOM 664 CB THR A 46 -2.161 8.822 7.733 1.00 0.00 C ATOM 665 OG1 THR A 46 -2.680 10.150 7.857 1.00 0.00 O ATOM 666 CG2 THR A 46 -1.303 8.721 6.481 1.00 0.00 C ATOM 0 H THR A 46 -4.078 8.377 9.555 1.00 0.00 H new ATOM 0 HA THR A 46 -3.750 7.801 6.686 1.00 0.00 H new ATOM 0 HB THR A 46 -1.540 8.593 8.599 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.938 10.790 7.887 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.492 9.447 6.536 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.886 7.717 6.406 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.915 8.926 5.603 1.00 0.00 H new ATOM 674 N TRP A 47 -2.238 5.750 6.996 1.00 0.00 N ATOM 675 CA TRP A 47 -1.682 4.413 7.173 1.00 0.00 C ATOM 676 C TRP A 47 -0.158 4.452 7.167 1.00 0.00 C ATOM 677 O TRP A 47 0.448 5.300 6.513 1.00 0.00 O ATOM 678 CB TRP A 47 -2.184 3.479 6.070 1.00 0.00 C ATOM 679 CG TRP A 47 -3.515 2.860 6.376 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.513 3.398 7.138 1.00 0.00 C ATOM 681 CD2 TRP A 47 -3.990 1.586 5.929 1.00 0.00 C ATOM 682 NE1 TRP A 47 -5.580 2.534 7.191 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.285 1.416 6.457 1.00 0.00 C ATOM 684 CE3 TRP A 47 -3.449 0.573 5.132 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.043 0.274 6.214 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -4.203 -0.560 4.892 1.00 0.00 C ATOM 687 CH2 TRP A 47 -5.489 -0.702 5.431 1.00 0.00 C ATOM 0 H TRP A 47 -2.175 6.111 6.044 1.00 0.00 H new ATOM 0 HA TRP A 47 -2.014 4.034 8.140 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -2.257 4.037 5.136 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.451 2.688 5.912 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.470 4.360 7.627 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.451 2.699 7.695 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -2.459 0.674 4.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.034 0.162 6.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.794 -1.349 4.279 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.054 -1.599 5.224 1.00 0.00 H new ATOM 698 N MET A 48 0.456 3.528 7.899 1.00 0.00 N ATOM 699 CA MET A 48 1.911 3.457 7.977 1.00 0.00 C ATOM 700 C MET A 48 2.419 2.118 7.451 1.00 0.00 C ATOM 701 O MET A 48 1.805 1.077 7.681 1.00 0.00 O ATOM 702 CB MET A 48 2.377 3.662 9.420 1.00 0.00 C ATOM 703 CG MET A 48 3.886 3.597 9.586 1.00 0.00 C ATOM 704 SD MET A 48 4.432 4.174 11.204 1.00 0.00 S ATOM 705 CE MET A 48 4.036 5.917 11.094 1.00 0.00 C ATOM 0 H MET A 48 -0.031 2.818 8.446 1.00 0.00 H new ATOM 0 HA MET A 48 2.322 4.251 7.354 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.022 4.630 9.774 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.917 2.903 10.053 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.220 2.570 9.439 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.359 4.200 8.811 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.653 6.475 11.798 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.230 6.271 10.081 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.984 6.067 11.336 1.00 0.00 H new ATOM 715 N GLY A 49 3.544 2.153 6.744 1.00 0.00 N ATOM 716 CA GLY A 49 4.114 0.936 6.196 1.00 0.00 C ATOM 717 C GLY A 49 5.549 1.121 5.744 1.00 0.00 C ATOM 718 O GLY A 49 5.979 2.240 5.459 1.00 0.00 O ATOM 0 H GLY A 49 4.071 3.002 6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.072 0.148 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.510 0.604 5.352 1.00 0.00 H new ATOM 722 N LEU A 50 6.293 0.022 5.677 1.00 0.00 N ATOM 723 CA LEU A 50 7.689 0.068 5.257 1.00 0.00 C ATOM 724 C LEU A 50 7.823 -0.266 3.775 1.00 0.00 C ATOM 725 O LEU A 50 7.402 -1.333 3.327 1.00 0.00 O ATOM 726 CB LEU A 50 8.524 -0.908 6.088 1.00 0.00 C ATOM 727 CG LEU A 50 10.031 -0.891 5.829 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.678 0.304 6.511 1.00 0.00 C ATOM 729 CD2 LEU A 50 10.669 -2.188 6.305 1.00 0.00 C ATOM 0 H LEU A 50 5.953 -0.911 5.908 1.00 0.00 H new ATOM 0 HA LEU A 50 8.058 1.081 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.354 -0.693 7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.155 -1.917 5.905 1.00 0.00 H new ATOM 0 HG LEU A 50 10.193 -0.802 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.750 0.298 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.243 1.225 6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.505 0.247 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.741 -2.158 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.495 -2.308 7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.228 -3.029 5.769 1.00 0.00 H new ATOM 741 N LEU A 51 8.412 0.653 3.018 1.00 0.00 N ATOM 742 CA LEU A 51 8.604 0.456 1.585 1.00 0.00 C ATOM 743 C LEU A 51 10.020 0.842 1.168 1.00 0.00 C ATOM 744 O LEU A 51 10.432 1.991 1.323 1.00 0.00 O ATOM 745 CB LEU A 51 7.585 1.280 0.796 1.00 0.00 C ATOM 746 CG LEU A 51 7.838 1.399 -0.707 1.00 0.00 C ATOM 747 CD1 LEU A 51 7.824 0.026 -1.361 1.00 0.00 C ATOM 748 CD2 LEU A 51 6.802 2.309 -1.351 1.00 0.00 C ATOM 0 H LEU A 51 8.765 1.542 3.372 1.00 0.00 H new ATOM 0 HA LEU A 51 8.455 -0.601 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.599 0.840 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.553 2.284 1.219 1.00 0.00 H new ATOM 0 HG LEU A 51 8.824 1.840 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.006 0.131 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.603 -0.595 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.853 -0.443 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.997 2.382 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.806 1.896 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.860 3.301 -0.903 1.00 0.00 H new ATOM 760 N ASN A 52 10.758 -0.125 0.634 1.00 0.00 N ATOM 761 CA ASN A 52 12.127 0.114 0.192 1.00 0.00 C ATOM 762 C ASN A 52 12.998 0.588 1.351 1.00 0.00 C ATOM 763 O ASN A 52 13.751 1.553 1.220 1.00 0.00 O ATOM 764 CB ASN A 52 12.148 1.149 -0.934 1.00 0.00 C ATOM 765 CG ASN A 52 11.609 0.596 -2.239 1.00 0.00 C ATOM 766 OD1 ASN A 52 12.126 -0.387 -2.770 1.00 0.00 O ATOM 767 ND2 ASN A 52 10.563 1.226 -2.762 1.00 0.00 N ATOM 0 H ASN A 52 10.431 -1.081 0.497 1.00 0.00 H new ATOM 0 HA ASN A 52 12.531 -0.827 -0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.557 2.015 -0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.170 1.497 -1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.156 0.899 -3.638 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.167 2.037 -2.287 1.00 0.00 H new ATOM 774 N ASN A 53 12.890 -0.097 2.484 1.00 0.00 N ATOM 775 CA ASN A 53 13.668 0.255 3.667 1.00 0.00 C ATOM 776 C ASN A 53 13.357 1.678 4.119 1.00 0.00 C ATOM 777 O ASN A 53 14.252 2.424 4.518 1.00 0.00 O ATOM 778 CB ASN A 53 15.164 0.114 3.379 1.00 0.00 C ATOM 779 CG ASN A 53 15.562 -1.316 3.069 1.00 0.00 C ATOM 780 OD1 ASN A 53 15.233 -1.848 2.009 1.00 0.00 O ATOM 781 ND2 ASN A 53 16.274 -1.946 3.997 1.00 0.00 N ATOM 0 H ASN A 53 12.272 -0.899 2.609 1.00 0.00 H new ATOM 0 HA ASN A 53 13.393 -0.430 4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.431 0.753 2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.732 0.468 4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 53 16.570 -2.910 3.845 1.00 0.00 H new ATOM 0 HD22 ASN A 53 16.524 -1.466 4.861 1.00 0.00 H new ATOM 788 N LYS A 54 12.083 2.048 4.055 1.00 0.00 N ATOM 789 CA LYS A 54 11.652 3.381 4.459 1.00 0.00 C ATOM 790 C LYS A 54 10.176 3.382 4.846 1.00 0.00 C ATOM 791 O LYS A 54 9.308 3.088 4.023 1.00 0.00 O ATOM 792 CB LYS A 54 11.893 4.383 3.328 1.00 0.00 C ATOM 793 CG LYS A 54 11.525 5.811 3.691 1.00 0.00 C ATOM 794 CD LYS A 54 11.242 6.646 2.453 1.00 0.00 C ATOM 795 CE LYS A 54 11.318 8.135 2.755 1.00 0.00 C ATOM 796 NZ LYS A 54 12.714 8.574 3.032 1.00 0.00 N ATOM 0 H LYS A 54 11.330 1.443 3.727 1.00 0.00 H new ATOM 0 HA LYS A 54 12.239 3.676 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.944 4.349 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.315 4.079 2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.647 5.808 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.338 6.264 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.960 6.395 1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.252 6.402 2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.921 8.698 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.688 8.364 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.783 9.605 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.972 8.318 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.363 8.106 2.368 1.00 0.00 H new ATOM 810 N VAL A 55 9.898 3.715 6.102 1.00 0.00 N ATOM 811 CA VAL A 55 8.527 3.756 6.597 1.00 0.00 C ATOM 812 C VAL A 55 8.062 5.192 6.808 1.00 0.00 C ATOM 813 O VAL A 55 8.702 5.965 7.520 1.00 0.00 O ATOM 814 CB VAL A 55 8.385 2.982 7.921 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.515 3.342 8.874 1.00 0.00 C ATOM 816 CG2 VAL A 55 7.032 3.261 8.558 1.00 0.00 C ATOM 0 H VAL A 55 10.604 3.960 6.796 1.00 0.00 H new ATOM 0 HA VAL A 55 7.902 3.283 5.839 1.00 0.00 H new ATOM 0 HB VAL A 55 8.448 1.915 7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.398 2.786 9.804 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.471 3.088 8.417 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.486 4.411 9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.948 2.706 9.493 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.938 4.328 8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.239 2.949 7.879 1.00 0.00 H new ATOM 826 N GLY A 56 6.942 5.544 6.183 1.00 0.00 N ATOM 827 CA GLY A 56 6.409 6.887 6.314 1.00 0.00 C ATOM 828 C GLY A 56 4.906 6.898 6.510 1.00 0.00 C ATOM 829 O GLY A 56 4.394 6.340 7.481 1.00 0.00 O ATOM 0 H GLY A 56 6.394 4.922 5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.886 7.383 7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.660 7.463 5.423 1.00 0.00 H new ATOM 833 N THR A 57 4.195 7.537 5.586 1.00 0.00 N ATOM 834 CA THR A 57 2.742 7.622 5.662 1.00 0.00 C ATOM 835 C THR A 57 2.109 7.462 4.285 1.00 0.00 C ATOM 836 O THR A 57 2.706 7.825 3.271 1.00 0.00 O ATOM 837 CB THR A 57 2.289 8.962 6.272 1.00 0.00 C ATOM 838 OG1 THR A 57 2.841 10.051 5.525 1.00 0.00 O ATOM 839 CG2 THR A 57 2.720 9.068 7.727 1.00 0.00 C ATOM 0 H THR A 57 4.603 8.004 4.776 1.00 0.00 H new ATOM 0 HA THR A 57 2.411 6.808 6.307 1.00 0.00 H new ATOM 0 HB THR A 57 1.201 9.006 6.228 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.547 10.899 5.918 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.389 10.023 8.136 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.274 8.254 8.299 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.806 9.003 7.790 1.00 0.00 H new ATOM 847 N PHE A 58 0.897 6.919 4.255 1.00 0.00 N ATOM 848 CA PHE A 58 0.182 6.712 3.001 1.00 0.00 C ATOM 849 C PHE A 58 -1.292 6.415 3.258 1.00 0.00 C ATOM 850 O PHE A 58 -1.672 5.996 4.352 1.00 0.00 O ATOM 851 CB PHE A 58 0.816 5.564 2.213 1.00 0.00 C ATOM 852 CG PHE A 58 0.492 4.206 2.767 1.00 0.00 C ATOM 853 CD1 PHE A 58 1.248 3.665 3.795 1.00 0.00 C ATOM 854 CD2 PHE A 58 -0.567 3.470 2.260 1.00 0.00 C ATOM 855 CE1 PHE A 58 0.953 2.415 4.308 1.00 0.00 C ATOM 856 CE2 PHE A 58 -0.866 2.220 2.770 1.00 0.00 C ATOM 857 CZ PHE A 58 -0.105 1.692 3.794 1.00 0.00 C ATOM 0 H PHE A 58 0.389 6.614 5.085 1.00 0.00 H new ATOM 0 HA PHE A 58 0.252 7.628 2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.479 5.615 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.898 5.695 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.077 4.226 4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.165 3.877 1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.549 2.005 5.110 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.695 1.657 2.367 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.337 0.715 4.192 1.00 0.00 H new ATOM 867 N LYS A 59 -2.120 6.636 2.242 1.00 0.00 N ATOM 868 CA LYS A 59 -3.553 6.392 2.355 1.00 0.00 C ATOM 869 C LYS A 59 -3.944 5.106 1.635 1.00 0.00 C ATOM 870 O LYS A 59 -3.261 4.668 0.709 1.00 0.00 O ATOM 871 CB LYS A 59 -4.339 7.572 1.778 1.00 0.00 C ATOM 872 CG LYS A 59 -4.467 8.744 2.735 1.00 0.00 C ATOM 873 CD LYS A 59 -3.393 9.788 2.486 1.00 0.00 C ATOM 874 CE LYS A 59 -2.016 9.278 2.883 1.00 0.00 C ATOM 875 NZ LYS A 59 -1.126 10.381 3.340 1.00 0.00 N ATOM 0 H LYS A 59 -1.823 6.984 1.330 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.796 6.284 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.850 7.911 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.336 7.232 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.451 9.200 2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.396 8.386 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.390 10.064 1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.624 10.691 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.118 8.540 3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.558 8.770 2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.198 9.992 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.008 11.073 2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.550 10.850 4.166 1.00 0.00 H new ATOM 889 N PHE A 60 -5.049 4.505 2.065 1.00 0.00 N ATOM 890 CA PHE A 60 -5.531 3.268 1.461 1.00 0.00 C ATOM 891 C PHE A 60 -6.134 3.535 0.085 1.00 0.00 C ATOM 892 O PHE A 60 -6.294 2.619 -0.722 1.00 0.00 O ATOM 893 CB PHE A 60 -6.571 2.605 2.367 1.00 0.00 C ATOM 894 CG PHE A 60 -7.526 3.579 2.996 1.00 0.00 C ATOM 895 CD1 PHE A 60 -8.468 4.242 2.226 1.00 0.00 C ATOM 896 CD2 PHE A 60 -7.482 3.831 4.358 1.00 0.00 C ATOM 897 CE1 PHE A 60 -9.348 5.139 2.802 1.00 0.00 C ATOM 898 CE2 PHE A 60 -8.360 4.726 4.939 1.00 0.00 C ATOM 899 CZ PHE A 60 -9.293 5.381 4.160 1.00 0.00 C ATOM 0 H PHE A 60 -5.627 4.854 2.829 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.682 2.595 1.342 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.137 1.878 1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.057 2.053 3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.515 4.056 1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.754 3.322 4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.077 5.650 2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.316 4.913 6.002 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.979 6.082 4.613 1.00 0.00 H new ATOM 909 N ILE A 61 -6.468 4.795 -0.174 1.00 0.00 N ATOM 910 CA ILE A 61 -7.053 5.182 -1.451 1.00 0.00 C ATOM 911 C ILE A 61 -6.060 4.989 -2.592 1.00 0.00 C ATOM 912 O ILE A 61 -6.448 4.887 -3.756 1.00 0.00 O ATOM 913 CB ILE A 61 -7.520 6.650 -1.435 1.00 0.00 C ATOM 914 CG1 ILE A 61 -6.316 7.590 -1.343 1.00 0.00 C ATOM 915 CG2 ILE A 61 -8.475 6.889 -0.275 1.00 0.00 C ATOM 916 CD1 ILE A 61 -6.681 9.053 -1.459 1.00 0.00 C ATOM 0 H ILE A 61 -6.343 5.565 0.484 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.916 4.536 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.049 6.858 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.808 7.425 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.607 7.337 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.796 7.931 -0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.345 6.241 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.969 6.667 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.779 9.660 -1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.162 9.233 -2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.366 9.322 -0.655 1.00 0.00 H new ATOM 928 N TYR A 62 -4.777 4.938 -2.250 1.00 0.00 N ATOM 929 CA TYR A 62 -3.727 4.757 -3.245 1.00 0.00 C ATOM 930 C TYR A 62 -3.171 3.337 -3.199 1.00 0.00 C ATOM 931 O TYR A 62 -2.096 3.061 -3.732 1.00 0.00 O ATOM 932 CB TYR A 62 -2.600 5.766 -3.017 1.00 0.00 C ATOM 933 CG TYR A 62 -3.080 7.195 -2.903 1.00 0.00 C ATOM 934 CD1 TYR A 62 -3.954 7.732 -3.841 1.00 0.00 C ATOM 935 CD2 TYR A 62 -2.661 8.008 -1.857 1.00 0.00 C ATOM 936 CE1 TYR A 62 -4.394 9.038 -3.741 1.00 0.00 C ATOM 937 CE2 TYR A 62 -3.097 9.314 -1.749 1.00 0.00 C ATOM 938 CZ TYR A 62 -3.963 9.825 -2.694 1.00 0.00 C ATOM 939 OH TYR A 62 -4.401 11.125 -2.590 1.00 0.00 O ATOM 0 H TYR A 62 -4.439 5.020 -1.291 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.162 4.925 -4.230 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.063 5.498 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.888 5.695 -3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.295 7.118 -4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.983 7.612 -1.116 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -5.072 9.440 -4.479 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.762 9.932 -0.929 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.005 11.541 -1.796 1.00 0.00 H new ATOM 949 N VAL A 63 -3.913 2.439 -2.559 1.00 0.00 N ATOM 950 CA VAL A 63 -3.497 1.046 -2.443 1.00 0.00 C ATOM 951 C VAL A 63 -4.701 0.124 -2.293 1.00 0.00 C ATOM 952 O VAL A 63 -5.830 0.583 -2.117 1.00 0.00 O ATOM 953 CB VAL A 63 -2.553 0.840 -1.244 1.00 0.00 C ATOM 954 CG1 VAL A 63 -1.408 1.840 -1.287 1.00 0.00 C ATOM 955 CG2 VAL A 63 -3.322 0.953 0.064 1.00 0.00 C ATOM 0 H VAL A 63 -4.805 2.651 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.965 0.797 -3.361 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.130 -0.163 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.752 1.679 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.842 1.706 -2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.808 2.853 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.640 0.805 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.775 1.942 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.103 0.193 0.094 1.00 0.00 H new ATOM 965 N ASP A 64 -4.453 -1.180 -2.364 1.00 0.00 N ATOM 966 CA ASP A 64 -5.517 -2.168 -2.234 1.00 0.00 C ATOM 967 C ASP A 64 -5.102 -3.292 -1.290 1.00 0.00 C ATOM 968 O ASP A 64 -4.254 -4.118 -1.626 1.00 0.00 O ATOM 969 CB ASP A 64 -5.878 -2.744 -3.605 1.00 0.00 C ATOM 970 CG ASP A 64 -6.181 -1.664 -4.625 1.00 0.00 C ATOM 971 OD1 ASP A 64 -7.151 -0.906 -4.417 1.00 0.00 O ATOM 972 OD2 ASP A 64 -5.446 -1.576 -5.631 1.00 0.00 O ATOM 0 H ASP A 64 -3.525 -1.576 -2.511 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.392 -1.671 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.054 -3.359 -3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.744 -3.398 -3.504 1.00 0.00 H new ATOM 977 N VAL A 65 -5.706 -3.317 -0.106 1.00 0.00 N ATOM 978 CA VAL A 65 -5.400 -4.339 0.888 1.00 0.00 C ATOM 979 C VAL A 65 -5.765 -5.728 0.377 1.00 0.00 C ATOM 980 O VAL A 65 -6.939 -6.035 0.163 1.00 0.00 O ATOM 981 CB VAL A 65 -6.145 -4.078 2.210 1.00 0.00 C ATOM 982 CG1 VAL A 65 -5.888 -5.205 3.199 1.00 0.00 C ATOM 983 CG2 VAL A 65 -5.732 -2.737 2.798 1.00 0.00 C ATOM 0 H VAL A 65 -6.411 -2.641 0.188 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.326 -4.292 1.070 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.215 -4.045 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.422 -5.003 4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.238 -6.147 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.819 -5.273 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.268 -2.569 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.659 -2.739 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.972 -1.941 2.093 1.00 0.00 H new ATOM 993 N LEU A 66 -4.752 -6.567 0.184 1.00 0.00 N ATOM 994 CA LEU A 66 -4.966 -7.925 -0.302 1.00 0.00 C ATOM 995 C LEU A 66 -5.023 -8.915 0.858 1.00 0.00 C ATOM 996 O LEU A 66 -4.445 -8.678 1.918 1.00 0.00 O ATOM 997 CB LEU A 66 -3.852 -8.323 -1.272 1.00 0.00 C ATOM 998 CG LEU A 66 -3.600 -7.362 -2.434 1.00 0.00 C ATOM 999 CD1 LEU A 66 -2.322 -7.736 -3.168 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -4.784 -7.359 -3.390 1.00 0.00 C ATOM 0 H LEU A 66 -3.775 -6.330 0.357 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.921 -7.951 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.926 -8.429 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.089 -9.304 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.482 -6.357 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.159 -7.041 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.479 -7.686 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.411 -8.749 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.587 -6.669 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.933 -8.363 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.681 -7.042 -2.857 1.00 0.00 H new