USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 813 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 17 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 85 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Set 2.1: A 30 SER OG : rot 81:sc= 1.26 USER MOD Set 2.2: A 72 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 13 THR OG1 : rot -17:sc= 0.391 USER MOD Set 3.2: A 16 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 15 SER OG : rot -38:sc= 0.00274 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 22 ASN : amide:sc= 0.0362 K(o=0.036,f=-2.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.801 X(o=-0.8,f=-0.76) USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= 1.32 (180deg=-0.102) USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.16) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= 0.429 (180deg=0.112) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 59 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.59) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -8:sc= 0.437 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00961 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 86 CYS SG : rot 1:sc= 0.242 USER MOD Single : A 87 THR OG1 : rot 125:sc= 0.0711 USER MOD Single : A 97 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.1!) USER MOD Single : A 105 THR OG1 : rot 92:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 152 N THR A 13 12.321 4.947 4.273 1.00 0.00 N ATOM 153 CA THR A 13 12.955 3.655 4.210 1.00 0.00 C ATOM 154 C THR A 13 11.917 2.547 4.344 1.00 0.00 C ATOM 155 O THR A 13 10.894 2.744 5.005 1.00 0.00 O ATOM 156 CB THR A 13 14.024 3.539 5.301 1.00 0.00 C ATOM 157 OG1 THR A 13 13.742 4.284 6.478 1.00 0.00 O ATOM 158 CG2 THR A 13 15.347 4.018 4.742 1.00 0.00 C ATOM 0 HA THR A 13 13.441 3.547 3.241 1.00 0.00 H new ATOM 0 HB THR A 13 14.050 2.489 5.591 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.047 4.947 6.286 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.116 3.940 5.510 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.625 3.402 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.254 5.057 4.426 1.00 0.00 H new ATOM 166 N PRO A 14 12.213 1.350 3.822 1.00 0.00 N ATOM 167 CA PRO A 14 11.241 0.279 3.670 1.00 0.00 C ATOM 168 C PRO A 14 10.777 -0.345 4.984 1.00 0.00 C ATOM 169 O PRO A 14 9.828 -1.122 4.961 1.00 0.00 O ATOM 170 CB PRO A 14 11.891 -0.766 2.764 1.00 0.00 C ATOM 171 CG PRO A 14 13.383 -0.444 2.786 1.00 0.00 C ATOM 172 CD PRO A 14 13.478 1.018 3.195 1.00 0.00 C ATOM 0 HA PRO A 14 10.328 0.691 3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.701 -1.776 3.128 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.492 -0.712 1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.912 -1.084 3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.834 -0.608 1.807 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.307 1.175 3.885 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.660 1.653 2.328 1.00 0.00 H new ATOM 180 N SER A 15 11.406 -0.028 6.117 1.00 0.00 N ATOM 181 CA SER A 15 10.983 -0.504 7.428 1.00 0.00 C ATOM 182 C SER A 15 10.094 0.520 8.150 1.00 0.00 C ATOM 183 O SER A 15 9.512 0.204 9.188 1.00 0.00 O ATOM 184 CB SER A 15 12.245 -0.825 8.226 1.00 0.00 C ATOM 185 OG SER A 15 11.979 -1.703 9.300 1.00 0.00 O ATOM 0 H SER A 15 12.230 0.572 6.147 1.00 0.00 H new ATOM 0 HA SER A 15 10.369 -1.398 7.322 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.988 -1.273 7.566 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.676 0.099 8.611 1.00 0.00 H new ATOM 0 HG SER A 15 11.115 -1.474 9.703 1.00 0.00 H new ATOM 191 N THR A 16 9.972 1.741 7.623 1.00 0.00 N ATOM 192 CA THR A 16 9.061 2.733 8.184 1.00 0.00 C ATOM 193 C THR A 16 7.627 2.186 8.100 1.00 0.00 C ATOM 194 O THR A 16 7.232 1.700 7.042 1.00 0.00 O ATOM 195 CB THR A 16 9.198 4.053 7.403 1.00 0.00 C ATOM 196 OG1 THR A 16 10.546 4.386 7.117 1.00 0.00 O ATOM 197 CG2 THR A 16 8.569 5.198 8.182 1.00 0.00 C ATOM 0 H THR A 16 10.494 2.063 6.808 1.00 0.00 H new ATOM 0 HA THR A 16 9.303 2.930 9.228 1.00 0.00 H new ATOM 0 HB THR A 16 8.679 3.902 6.456 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.826 3.937 6.292 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.674 6.124 7.616 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.511 4.990 8.344 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.070 5.302 9.144 1.00 0.00 H new ATOM 205 N TYR A 17 6.838 2.257 9.175 1.00 0.00 N ATOM 206 CA TYR A 17 5.418 1.906 9.138 1.00 0.00 C ATOM 207 C TYR A 17 4.662 2.931 8.291 1.00 0.00 C ATOM 208 O TYR A 17 5.018 4.111 8.279 1.00 0.00 O ATOM 209 CB TYR A 17 4.802 1.943 10.540 1.00 0.00 C ATOM 210 CG TYR A 17 5.074 0.801 11.494 1.00 0.00 C ATOM 211 CD1 TYR A 17 6.234 0.003 11.413 1.00 0.00 C ATOM 212 CD2 TYR A 17 4.140 0.575 12.522 1.00 0.00 C ATOM 213 CE1 TYR A 17 6.475 -0.988 12.381 1.00 0.00 C ATOM 214 CE2 TYR A 17 4.388 -0.391 13.503 1.00 0.00 C ATOM 215 CZ TYR A 17 5.574 -1.152 13.457 1.00 0.00 C ATOM 216 OH TYR A 17 5.895 -1.946 14.513 1.00 0.00 O ATOM 0 H TYR A 17 7.165 2.559 10.093 1.00 0.00 H new ATOM 0 HA TYR A 17 5.338 0.902 8.722 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.138 2.861 11.022 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.721 2.022 10.422 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.937 0.153 10.607 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.227 1.150 12.554 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.346 -1.622 12.302 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.672 -0.554 14.295 1.00 0.00 H new ATOM 0 HH TYR A 17 5.160 -1.942 15.161 1.00 0.00 H new ATOM 226 N ILE A 18 3.541 2.522 7.696 1.00 0.00 N ATOM 227 CA ILE A 18 2.706 3.399 6.872 1.00 0.00 C ATOM 228 C ILE A 18 2.169 4.578 7.698 1.00 0.00 C ATOM 229 O ILE A 18 2.299 5.736 7.315 1.00 0.00 O ATOM 230 CB ILE A 18 1.535 2.629 6.219 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.766 1.129 5.961 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.180 3.328 4.902 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.835 0.867 4.911 1.00 0.00 C ATOM 0 H ILE A 18 3.184 1.569 7.772 1.00 0.00 H new ATOM 0 HA ILE A 18 3.338 3.787 6.073 1.00 0.00 H new ATOM 0 HB ILE A 18 0.723 2.653 6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.054 0.645 6.894 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.830 0.672 5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.355 2.802 4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.885 4.358 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.047 3.322 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.953 -0.208 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.538 1.324 3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.781 1.297 5.240 1.00 0.00 H new ATOM 245 N ARG A 19 1.620 4.303 8.886 1.00 0.00 N ATOM 246 CA ARG A 19 1.084 5.314 9.804 1.00 0.00 C ATOM 247 C ARG A 19 2.126 6.337 10.260 1.00 0.00 C ATOM 248 O ARG A 19 1.776 7.401 10.771 1.00 0.00 O ATOM 249 CB ARG A 19 0.476 4.624 11.035 1.00 0.00 C ATOM 250 CG ARG A 19 1.467 3.685 11.764 1.00 0.00 C ATOM 251 CD ARG A 19 1.677 4.026 13.236 1.00 0.00 C ATOM 252 NE ARG A 19 0.413 4.008 13.974 1.00 0.00 N ATOM 253 CZ ARG A 19 0.264 4.267 15.270 1.00 0.00 C ATOM 254 NH1 ARG A 19 1.323 4.399 16.060 1.00 0.00 N ATOM 255 NH2 ARG A 19 -0.961 4.411 15.748 1.00 0.00 N ATOM 0 H ARG A 19 1.534 3.352 9.244 1.00 0.00 H new ATOM 0 HA ARG A 19 0.323 5.863 9.250 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.127 5.385 11.733 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.397 4.050 10.726 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.104 2.660 11.687 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.429 3.721 11.253 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.370 3.312 13.681 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.136 5.011 13.321 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.429 3.776 13.447 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.262 4.302 15.674 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.197 4.598 17.053 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.765 4.323 15.126 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.102 4.610 16.738 1.00 0.00 H new ATOM 269 N ASN A 20 3.412 6.002 10.134 1.00 0.00 N ATOM 270 CA ASN A 20 4.490 6.902 10.510 1.00 0.00 C ATOM 271 C ASN A 20 4.651 8.020 9.479 1.00 0.00 C ATOM 272 O ASN A 20 5.263 9.049 9.769 1.00 0.00 O ATOM 273 CB ASN A 20 5.806 6.117 10.603 1.00 0.00 C ATOM 274 CG ASN A 20 6.670 6.568 11.764 1.00 0.00 C ATOM 275 OD1 ASN A 20 6.879 7.751 12.014 1.00 0.00 O ATOM 276 ND2 ASN A 20 7.176 5.626 12.533 1.00 0.00 N ATOM 0 H ASN A 20 3.728 5.103 9.770 1.00 0.00 H new ATOM 0 HA ASN A 20 4.245 7.344 11.476 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.585 5.055 10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.362 6.235 9.673 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.745 5.878 13.341 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.999 4.644 12.320 1.00 0.00 H new ATOM 283 N LEU A 21 4.173 7.793 8.252 1.00 0.00 N ATOM 284 CA LEU A 21 4.394 8.694 7.141 1.00 0.00 C ATOM 285 C LEU A 21 3.572 9.958 7.369 1.00 0.00 C ATOM 286 O LEU A 21 2.386 9.897 7.709 1.00 0.00 O ATOM 287 CB LEU A 21 4.052 8.019 5.800 1.00 0.00 C ATOM 288 CG LEU A 21 4.835 6.730 5.435 1.00 0.00 C ATOM 289 CD1 LEU A 21 4.862 6.608 3.913 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.280 6.746 5.944 1.00 0.00 C ATOM 0 H LEU A 21 3.620 6.971 8.011 1.00 0.00 H new ATOM 0 HA LEU A 21 5.449 8.962 7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.989 7.779 5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.211 8.747 5.005 1.00 0.00 H new ATOM 0 HG LEU A 21 4.331 5.888 5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.408 5.708 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.842 6.548 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.356 7.481 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.777 5.819 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.811 7.592 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.282 6.839 7.030 1.00 0.00 H new ATOM 302 N ASN A 22 4.217 11.112 7.182 1.00 0.00 N ATOM 303 CA ASN A 22 3.576 12.408 7.377 1.00 0.00 C ATOM 304 C ASN A 22 2.399 12.535 6.415 1.00 0.00 C ATOM 305 O ASN A 22 2.411 11.972 5.316 1.00 0.00 O ATOM 306 CB ASN A 22 4.586 13.540 7.121 1.00 0.00 C ATOM 307 CG ASN A 22 4.215 14.897 7.698 1.00 0.00 C ATOM 308 OD1 ASN A 22 3.237 15.053 8.430 1.00 0.00 O ATOM 309 ND2 ASN A 22 4.994 15.908 7.352 1.00 0.00 N ATOM 0 H ASN A 22 5.193 11.171 6.893 1.00 0.00 H new ATOM 0 HA ASN A 22 3.218 12.484 8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.550 13.242 7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.719 13.647 6.044 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.792 16.848 7.693 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.797 15.748 6.744 1.00 0.00 H new ATOM 316 N VAL A 23 1.417 13.346 6.782 1.00 0.00 N ATOM 317 CA VAL A 23 0.223 13.610 6.000 1.00 0.00 C ATOM 318 C VAL A 23 0.563 14.062 4.574 1.00 0.00 C ATOM 319 O VAL A 23 -0.102 13.629 3.640 1.00 0.00 O ATOM 320 CB VAL A 23 -0.615 14.619 6.800 1.00 0.00 C ATOM 321 CG1 VAL A 23 0.060 15.993 6.932 1.00 0.00 C ATOM 322 CG2 VAL A 23 -2.011 14.765 6.211 1.00 0.00 C ATOM 0 H VAL A 23 1.433 13.856 7.665 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.364 12.704 5.847 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.698 14.210 7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.582 16.660 7.507 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.017 15.881 7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.225 16.414 5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.580 15.485 6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.937 15.114 5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.517 13.800 6.231 1.00 0.00 H new ATOM 332 N GLY A 24 1.622 14.849 4.361 1.00 0.00 N ATOM 333 CA GLY A 24 2.054 15.246 3.026 1.00 0.00 C ATOM 334 C GLY A 24 2.461 14.053 2.161 1.00 0.00 C ATOM 335 O GLY A 24 2.188 14.041 0.960 1.00 0.00 O ATOM 0 H GLY A 24 2.201 15.226 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.247 15.789 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.896 15.933 3.110 1.00 0.00 H new ATOM 339 N ILE A 25 3.090 13.035 2.751 1.00 0.00 N ATOM 340 CA ILE A 25 3.511 11.830 2.048 1.00 0.00 C ATOM 341 C ILE A 25 2.266 10.991 1.738 1.00 0.00 C ATOM 342 O ILE A 25 2.146 10.386 0.675 1.00 0.00 O ATOM 343 CB ILE A 25 4.527 11.038 2.873 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.618 11.928 3.486 1.00 0.00 C ATOM 345 CG2 ILE A 25 5.183 9.951 2.005 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.312 12.962 2.595 1.00 0.00 C ATOM 0 H ILE A 25 3.323 13.028 3.744 1.00 0.00 H new ATOM 0 HA ILE A 25 4.008 12.101 1.116 1.00 0.00 H new ATOM 0 HB ILE A 25 3.975 10.582 3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.175 12.461 4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.388 11.273 3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.904 9.394 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.417 9.270 1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.694 10.417 1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.054 13.506 3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.804 12.455 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.572 13.662 2.206 1.00 0.00 H new ATOM 358 N LEU A 26 1.332 10.914 2.690 1.00 0.00 N ATOM 359 CA LEU A 26 0.035 10.257 2.531 1.00 0.00 C ATOM 360 C LEU A 26 -0.770 10.922 1.414 1.00 0.00 C ATOM 361 O LEU A 26 -1.384 10.230 0.605 1.00 0.00 O ATOM 362 CB LEU A 26 -0.687 10.241 3.894 1.00 0.00 C ATOM 363 CG LEU A 26 -0.265 9.046 4.777 1.00 0.00 C ATOM 364 CD1 LEU A 26 -0.808 9.213 6.195 1.00 0.00 C ATOM 365 CD2 LEU A 26 -0.759 7.698 4.242 1.00 0.00 C ATOM 0 H LEU A 26 1.462 11.318 3.617 1.00 0.00 H new ATOM 0 HA LEU A 26 0.163 9.220 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.477 11.171 4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.764 10.204 3.730 1.00 0.00 H new ATOM 0 HG LEU A 26 0.825 9.042 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.502 8.363 6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.414 10.132 6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.896 9.264 6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.429 6.900 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.848 7.703 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.352 7.531 3.245 1.00 0.00 H new ATOM 377 N ARG A 27 -0.724 12.247 1.307 1.00 0.00 N ATOM 378 CA ARG A 27 -1.318 13.018 0.220 1.00 0.00 C ATOM 379 C ARG A 27 -0.649 12.734 -1.118 1.00 0.00 C ATOM 380 O ARG A 27 -1.351 12.548 -2.106 1.00 0.00 O ATOM 381 CB ARG A 27 -1.286 14.494 0.564 1.00 0.00 C ATOM 382 CG ARG A 27 -2.481 14.784 1.485 1.00 0.00 C ATOM 383 CD ARG A 27 -2.145 16.029 2.264 1.00 0.00 C ATOM 384 NE ARG A 27 -3.331 16.684 2.829 1.00 0.00 N ATOM 385 CZ ARG A 27 -3.294 17.694 3.700 1.00 0.00 C ATOM 386 NH1 ARG A 27 -2.147 18.060 4.262 1.00 0.00 N ATOM 387 NH2 ARG A 27 -4.398 18.349 4.012 1.00 0.00 N ATOM 0 H ARG A 27 -0.256 12.833 1.998 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.357 12.708 0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.350 14.751 1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.345 15.099 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.391 14.928 0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.662 13.945 2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.458 15.773 3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.624 16.730 1.612 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.247 16.343 2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.285 17.568 4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.129 18.833 4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.286 18.084 3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.362 19.120 4.679 1.00 0.00 H new ATOM 401 N LYS A 28 0.685 12.668 -1.170 1.00 0.00 N ATOM 402 CA LYS A 28 1.410 12.286 -2.385 1.00 0.00 C ATOM 403 C LYS A 28 0.975 10.923 -2.876 1.00 0.00 C ATOM 404 O LYS A 28 0.617 10.768 -4.033 1.00 0.00 O ATOM 405 CB LYS A 28 2.917 12.282 -2.139 1.00 0.00 C ATOM 406 CG LYS A 28 3.486 13.675 -2.350 1.00 0.00 C ATOM 407 CD LYS A 28 3.487 14.102 -3.830 1.00 0.00 C ATOM 408 CE LYS A 28 4.535 15.172 -4.153 1.00 0.00 C ATOM 409 NZ LYS A 28 4.044 16.547 -3.935 1.00 0.00 N ATOM 0 H LYS A 28 1.290 12.877 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 28 1.175 13.026 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.126 11.946 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.401 11.577 -2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.904 14.392 -1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.506 13.708 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.668 13.226 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.499 14.481 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.418 15.006 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.847 15.064 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.796 17.226 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.218 16.721 -4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.771 16.664 -2.938 1.00 0.00 H new ATOM 423 N LEU A 29 0.991 9.934 -1.990 1.00 0.00 N ATOM 424 CA LEU A 29 0.464 8.614 -2.316 1.00 0.00 C ATOM 425 C LEU A 29 -0.977 8.704 -2.810 1.00 0.00 C ATOM 426 O LEU A 29 -1.297 8.101 -3.831 1.00 0.00 O ATOM 427 CB LEU A 29 0.598 7.677 -1.110 1.00 0.00 C ATOM 428 CG LEU A 29 1.886 6.833 -1.133 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.728 5.641 -2.081 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.169 7.608 -1.473 1.00 0.00 C ATOM 0 H LEU A 29 1.362 10.020 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 29 1.053 8.195 -3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.576 8.269 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.264 7.011 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 29 2.016 6.492 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.647 5.055 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.901 5.016 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.523 6.002 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.019 6.926 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.073 8.055 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.326 8.394 -0.734 1.00 0.00 H new ATOM 442 N SER A 30 -1.835 9.472 -2.134 1.00 0.00 N ATOM 443 CA SER A 30 -3.214 9.674 -2.572 1.00 0.00 C ATOM 444 C SER A 30 -3.275 10.231 -3.995 1.00 0.00 C ATOM 445 O SER A 30 -4.150 9.825 -4.744 1.00 0.00 O ATOM 446 CB SER A 30 -3.989 10.551 -1.584 1.00 0.00 C ATOM 447 OG SER A 30 -3.904 10.061 -0.250 1.00 0.00 O ATOM 0 H SER A 30 -1.594 9.967 -1.275 1.00 0.00 H new ATOM 0 HA SER A 30 -3.700 8.699 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.600 11.569 -1.621 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.035 10.599 -1.886 1.00 0.00 H new ATOM 0 HG SER A 30 -3.051 10.336 0.146 1.00 0.00 H new ATOM 453 N ASP A 31 -2.321 11.066 -4.400 1.00 0.00 N ATOM 454 CA ASP A 31 -2.257 11.676 -5.725 1.00 0.00 C ATOM 455 C ASP A 31 -2.166 10.635 -6.845 1.00 0.00 C ATOM 456 O ASP A 31 -2.581 10.922 -7.963 1.00 0.00 O ATOM 457 CB ASP A 31 -1.044 12.621 -5.784 1.00 0.00 C ATOM 458 CG ASP A 31 -1.305 13.875 -6.609 1.00 0.00 C ATOM 459 OD1 ASP A 31 -2.010 14.765 -6.076 1.00 0.00 O ATOM 460 OD2 ASP A 31 -0.747 14.035 -7.719 1.00 0.00 O ATOM 0 H ASP A 31 -1.548 11.345 -3.796 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.181 12.232 -5.884 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.767 12.911 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.194 12.086 -6.206 1.00 0.00 H new ATOM 465 N PHE A 32 -1.597 9.451 -6.567 1.00 0.00 N ATOM 466 CA PHE A 32 -1.400 8.382 -7.551 1.00 0.00 C ATOM 467 C PHE A 32 -2.342 7.188 -7.335 1.00 0.00 C ATOM 468 O PHE A 32 -2.572 6.420 -8.271 1.00 0.00 O ATOM 469 CB PHE A 32 0.077 7.931 -7.553 1.00 0.00 C ATOM 470 CG PHE A 32 1.123 9.037 -7.555 1.00 0.00 C ATOM 471 CD1 PHE A 32 0.884 10.288 -8.159 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.355 8.816 -6.911 1.00 0.00 C ATOM 473 CE1 PHE A 32 1.832 11.318 -8.047 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.301 9.844 -6.801 1.00 0.00 C ATOM 475 CZ PHE A 32 3.029 11.104 -7.350 1.00 0.00 C ATOM 0 H PHE A 32 -1.257 9.209 -5.636 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.652 8.793 -8.529 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.244 7.305 -6.677 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.241 7.304 -8.429 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.030 10.455 -8.709 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.574 7.843 -6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.638 12.279 -8.500 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.238 9.665 -6.294 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.740 11.909 -7.236 1.00 0.00 H new ATOM 485 N ILE A 33 -2.813 6.988 -6.098 1.00 0.00 N ATOM 486 CA ILE A 33 -3.554 5.807 -5.642 1.00 0.00 C ATOM 487 C ILE A 33 -5.071 6.074 -5.575 1.00 0.00 C ATOM 488 O ILE A 33 -5.849 5.124 -5.643 1.00 0.00 O ATOM 489 CB ILE A 33 -2.934 5.362 -4.289 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.441 4.968 -4.405 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.642 4.227 -3.542 1.00 0.00 C ATOM 492 CD1 ILE A 33 -1.173 3.717 -5.249 1.00 0.00 C ATOM 0 H ILE A 33 -2.682 7.675 -5.356 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.460 4.989 -6.356 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.066 6.271 -3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.891 5.805 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.043 4.806 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.109 4.014 -2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.665 4.525 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.656 3.334 -4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.102 3.518 -5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.691 2.864 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.536 3.878 -6.264 1.00 0.00 H new ATOM 504 N ASP A 34 -5.498 7.333 -5.410 1.00 0.00 N ATOM 505 CA ASP A 34 -6.897 7.733 -5.591 1.00 0.00 C ATOM 506 C ASP A 34 -7.368 7.499 -7.033 1.00 0.00 C ATOM 507 O ASP A 34 -8.362 6.785 -7.207 1.00 0.00 O ATOM 508 CB ASP A 34 -7.102 9.188 -5.168 1.00 0.00 C ATOM 509 CG ASP A 34 -8.486 9.701 -5.527 1.00 0.00 C ATOM 510 OD1 ASP A 34 -9.389 9.594 -4.674 1.00 0.00 O ATOM 511 OD2 ASP A 34 -8.642 10.322 -6.604 1.00 0.00 O ATOM 0 H ASP A 34 -4.882 8.102 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.511 7.104 -4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.952 9.276 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.349 9.813 -5.648 1.00 0.00 H new ATOM 516 N PRO A 35 -6.679 8.023 -8.071 1.00 0.00 N ATOM 517 CA PRO A 35 -6.983 7.662 -9.449 1.00 0.00 C ATOM 518 C PRO A 35 -6.645 6.189 -9.699 1.00 0.00 C ATOM 519 O PRO A 35 -6.120 5.492 -8.823 1.00 0.00 O ATOM 520 CB PRO A 35 -6.147 8.608 -10.319 1.00 0.00 C ATOM 521 CG PRO A 35 -4.958 8.962 -9.437 1.00 0.00 C ATOM 522 CD PRO A 35 -5.566 8.969 -8.044 1.00 0.00 C ATOM 0 HA PRO A 35 -8.042 7.767 -9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.829 8.125 -11.243 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.713 9.496 -10.602 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.156 8.229 -9.525 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.534 9.931 -9.699 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.827 8.678 -7.297 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.912 9.967 -7.777 1.00 0.00 H new ATOM 530 N GLN A 36 -6.937 5.714 -10.917 1.00 0.00 N ATOM 531 CA GLN A 36 -6.678 4.361 -11.420 1.00 0.00 C ATOM 532 C GLN A 36 -7.140 3.228 -10.486 1.00 0.00 C ATOM 533 O GLN A 36 -6.702 2.087 -10.643 1.00 0.00 O ATOM 534 CB GLN A 36 -5.240 4.236 -11.964 1.00 0.00 C ATOM 535 CG GLN A 36 -4.167 4.255 -10.879 1.00 0.00 C ATOM 536 CD GLN A 36 -2.754 4.249 -11.448 1.00 0.00 C ATOM 537 OE1 GLN A 36 -2.348 3.320 -12.149 1.00 0.00 O ATOM 538 NE2 GLN A 36 -1.969 5.267 -11.127 1.00 0.00 N ATOM 0 H GLN A 36 -7.388 6.301 -11.619 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.333 4.209 -12.278 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.155 3.308 -12.530 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.053 5.053 -12.661 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.300 5.141 -10.258 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.297 3.388 -10.231 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.328 6.024 -10.545 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.006 5.293 -11.461 1.00 0.00 H new ATOM 547 N GLU A 37 -8.011 3.535 -9.516 1.00 0.00 N ATOM 548 CA GLU A 37 -8.373 2.718 -8.363 1.00 0.00 C ATOM 549 C GLU A 37 -7.160 1.982 -7.776 1.00 0.00 C ATOM 550 O GLU A 37 -7.260 0.828 -7.348 1.00 0.00 O ATOM 551 CB GLU A 37 -9.586 1.843 -8.733 1.00 0.00 C ATOM 552 CG GLU A 37 -10.886 2.640 -8.538 1.00 0.00 C ATOM 553 CD GLU A 37 -11.934 2.342 -9.606 1.00 0.00 C ATOM 554 OE1 GLU A 37 -12.448 1.200 -9.630 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.240 3.263 -10.407 1.00 0.00 O ATOM 0 H GLU A 37 -8.513 4.423 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.695 3.344 -7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.504 1.512 -9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.602 0.947 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.301 2.413 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.657 3.706 -8.549 1.00 0.00 H new ATOM 562 N GLY A 38 -6.010 2.667 -7.715 1.00 0.00 N ATOM 563 CA GLY A 38 -4.795 2.130 -7.119 1.00 0.00 C ATOM 564 C GLY A 38 -5.053 1.668 -5.688 1.00 0.00 C ATOM 565 O GLY A 38 -4.519 0.643 -5.267 1.00 0.00 O ATOM 0 H GLY A 38 -5.904 3.613 -8.081 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.430 1.294 -7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.014 2.891 -7.125 1.00 0.00 H new ATOM 569 N TRP A 39 -5.902 2.385 -4.946 1.00 0.00 N ATOM 570 CA TRP A 39 -6.301 2.039 -3.596 1.00 0.00 C ATOM 571 C TRP A 39 -6.963 0.667 -3.580 1.00 0.00 C ATOM 572 O TRP A 39 -6.619 -0.169 -2.753 1.00 0.00 O ATOM 573 CB TRP A 39 -7.249 3.107 -3.034 1.00 0.00 C ATOM 574 CG TRP A 39 -8.609 3.199 -3.657 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.980 3.984 -4.694 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.789 2.431 -3.290 1.00 0.00 C ATOM 577 NE1 TRP A 39 -10.298 3.725 -5.015 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.839 2.759 -4.191 1.00 0.00 C ATOM 579 CE3 TRP A 39 -10.047 1.428 -2.330 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -12.090 2.128 -4.105 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.306 0.805 -2.240 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.338 1.180 -3.105 1.00 0.00 C ATOM 0 H TRP A 39 -6.337 3.243 -5.285 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.414 2.000 -2.963 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.376 2.921 -1.967 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.764 4.078 -3.133 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.345 4.701 -5.193 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.808 4.189 -5.767 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.261 1.133 -1.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.866 2.375 -4.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.475 0.036 -1.501 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.320 0.742 -3.003 1.00 0.00 H new ATOM 593 N LYS A 40 -7.896 0.423 -4.506 1.00 0.00 N ATOM 594 CA LYS A 40 -8.698 -0.788 -4.550 1.00 0.00 C ATOM 595 C LYS A 40 -7.787 -1.979 -4.810 1.00 0.00 C ATOM 596 O LYS A 40 -7.989 -3.052 -4.248 1.00 0.00 O ATOM 597 CB LYS A 40 -9.808 -0.612 -5.616 1.00 0.00 C ATOM 598 CG LYS A 40 -11.116 -1.234 -5.115 1.00 0.00 C ATOM 599 CD LYS A 40 -12.368 -1.192 -5.999 1.00 0.00 C ATOM 600 CE LYS A 40 -12.846 0.216 -6.368 1.00 0.00 C ATOM 601 NZ LYS A 40 -13.816 0.273 -7.481 1.00 0.00 N ATOM 0 H LYS A 40 -8.113 1.079 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.196 -0.977 -3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.956 0.447 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.505 -1.084 -6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.913 -2.281 -4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.367 -0.748 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.166 -1.744 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.176 -1.712 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.298 0.672 -5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.978 0.821 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.435 1.100 -7.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.305 0.352 -8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.392 -0.593 -7.484 1.00 0.00 H new ATOM 615 N LYS A 41 -6.750 -1.771 -5.621 1.00 0.00 N ATOM 616 CA LYS A 41 -5.786 -2.786 -5.996 1.00 0.00 C ATOM 617 C LYS A 41 -4.864 -3.068 -4.821 1.00 0.00 C ATOM 618 O LYS A 41 -4.633 -4.231 -4.505 1.00 0.00 O ATOM 619 CB LYS A 41 -5.016 -2.296 -7.220 1.00 0.00 C ATOM 620 CG LYS A 41 -5.849 -2.364 -8.501 1.00 0.00 C ATOM 621 CD LYS A 41 -5.350 -1.277 -9.458 1.00 0.00 C ATOM 622 CE LYS A 41 -6.040 -1.402 -10.811 1.00 0.00 C ATOM 623 NZ LYS A 41 -5.705 -0.275 -11.700 1.00 0.00 N ATOM 0 H LYS A 41 -6.559 -0.863 -6.044 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.284 -3.721 -6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.693 -1.268 -7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.115 -2.897 -7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.757 -3.347 -8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.905 -2.216 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.545 -0.292 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.271 -1.362 -9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.746 -2.339 -11.284 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.120 -1.443 -10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.257 -0.349 -12.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.931 0.622 -11.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.690 -0.301 -11.926 1.00 0.00 H new ATOM 637 N LEU A 42 -4.334 -2.028 -4.168 1.00 0.00 N ATOM 638 CA LEU A 42 -3.475 -2.140 -3.005 1.00 0.00 C ATOM 639 C LEU A 42 -4.211 -2.854 -1.878 1.00 0.00 C ATOM 640 O LEU A 42 -3.706 -3.841 -1.359 1.00 0.00 O ATOM 641 CB LEU A 42 -3.037 -0.716 -2.634 1.00 0.00 C ATOM 642 CG LEU A 42 -1.939 -0.570 -1.572 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.520 -0.188 -0.211 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.950 -1.739 -1.468 1.00 0.00 C ATOM 0 H LEU A 42 -4.501 -1.062 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.589 -2.742 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.695 -0.221 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.916 -0.173 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.325 0.255 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.713 -0.094 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.047 0.763 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.215 -0.960 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.219 -1.529 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.491 -2.653 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.436 -1.867 -2.421 1.00 0.00 H new ATOM 656 N ALA A 43 -5.421 -2.405 -1.541 1.00 0.00 N ATOM 657 CA ALA A 43 -6.272 -3.040 -0.552 1.00 0.00 C ATOM 658 C ALA A 43 -6.385 -4.535 -0.816 1.00 0.00 C ATOM 659 O ALA A 43 -5.983 -5.336 0.017 1.00 0.00 O ATOM 660 CB ALA A 43 -7.639 -2.354 -0.513 1.00 0.00 C ATOM 0 H ALA A 43 -5.838 -1.574 -1.960 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.819 -2.926 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.269 -2.839 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.512 -1.303 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.112 -2.430 -1.492 1.00 0.00 H new ATOM 666 N VAL A 44 -6.892 -4.934 -1.976 1.00 0.00 N ATOM 667 CA VAL A 44 -7.163 -6.323 -2.254 1.00 0.00 C ATOM 668 C VAL A 44 -5.863 -7.143 -2.427 1.00 0.00 C ATOM 669 O VAL A 44 -5.888 -8.373 -2.302 1.00 0.00 O ATOM 670 CB VAL A 44 -8.154 -6.305 -3.434 1.00 0.00 C ATOM 671 CG1 VAL A 44 -7.498 -6.197 -4.812 1.00 0.00 C ATOM 672 CG2 VAL A 44 -9.117 -7.466 -3.312 1.00 0.00 C ATOM 0 H VAL A 44 -7.123 -4.301 -2.742 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.628 -6.860 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.724 -5.378 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.269 -6.191 -5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.921 -5.274 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.836 -7.049 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.816 -7.449 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.560 -8.403 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.670 -7.383 -2.376 1.00 0.00 H new ATOM 682 N ALA A 45 -4.712 -6.491 -2.645 1.00 0.00 N ATOM 683 CA ALA A 45 -3.400 -7.112 -2.669 1.00 0.00 C ATOM 684 C ALA A 45 -2.954 -7.493 -1.266 1.00 0.00 C ATOM 685 O ALA A 45 -2.360 -8.553 -1.093 1.00 0.00 O ATOM 686 CB ALA A 45 -2.389 -6.163 -3.326 1.00 0.00 C ATOM 0 H ALA A 45 -4.678 -5.486 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.456 -8.028 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.406 -6.633 -3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.704 -5.946 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.338 -5.235 -2.757 1.00 0.00 H new ATOM 692 N ILE A 46 -3.238 -6.654 -0.274 1.00 0.00 N ATOM 693 CA ILE A 46 -2.856 -6.876 1.109 1.00 0.00 C ATOM 694 C ILE A 46 -3.633 -8.083 1.633 1.00 0.00 C ATOM 695 O ILE A 46 -4.851 -8.024 1.816 1.00 0.00 O ATOM 696 CB ILE A 46 -3.108 -5.596 1.931 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.188 -4.444 1.474 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.844 -5.850 3.419 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.756 -3.063 1.803 1.00 0.00 C ATOM 0 H ILE A 46 -3.751 -5.784 -0.417 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.792 -7.096 1.196 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.150 -5.317 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.214 -4.553 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.028 -4.519 0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.027 -4.935 3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.509 -6.636 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.808 -6.160 3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.065 -2.294 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.718 -2.937 1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.891 -2.972 2.881 1.00 0.00 H new ATOM 711 N LYS A 47 -2.926 -9.174 1.916 1.00 0.00 N ATOM 712 CA LYS A 47 -3.469 -10.312 2.649 1.00 0.00 C ATOM 713 C LYS A 47 -2.920 -10.288 4.073 1.00 0.00 C ATOM 714 O LYS A 47 -2.031 -9.502 4.412 1.00 0.00 O ATOM 715 CB LYS A 47 -3.154 -11.620 1.898 1.00 0.00 C ATOM 716 CG LYS A 47 -4.315 -12.067 0.990 1.00 0.00 C ATOM 717 CD LYS A 47 -4.613 -11.202 -0.247 1.00 0.00 C ATOM 718 CE LYS A 47 -3.537 -11.323 -1.336 1.00 0.00 C ATOM 719 NZ LYS A 47 -4.016 -10.797 -2.632 1.00 0.00 N ATOM 0 H LYS A 47 -1.951 -9.293 1.640 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.555 -10.251 2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.256 -11.483 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.936 -12.407 2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.107 -13.082 0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.220 -12.113 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.578 -11.493 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.698 -10.159 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.644 -10.778 -1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.249 -12.368 -1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.203 -10.497 -3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.541 -11.540 -3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.642 -9.983 -2.466 1.00 0.00 H new ATOM 733 N LYS A 48 -3.513 -11.083 4.958 1.00 0.00 N ATOM 734 CA LYS A 48 -3.013 -11.314 6.306 1.00 0.00 C ATOM 735 C LYS A 48 -1.757 -12.174 6.213 1.00 0.00 C ATOM 736 O LYS A 48 -1.554 -12.826 5.188 1.00 0.00 O ATOM 737 CB LYS A 48 -4.104 -11.999 7.149 1.00 0.00 C ATOM 738 CG LYS A 48 -5.194 -10.984 7.484 1.00 0.00 C ATOM 739 CD LYS A 48 -6.136 -11.385 8.617 1.00 0.00 C ATOM 740 CE LYS A 48 -7.078 -10.210 8.885 1.00 0.00 C ATOM 741 NZ LYS A 48 -7.767 -10.319 10.182 1.00 0.00 N ATOM 0 H LYS A 48 -4.371 -11.594 4.753 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.760 -10.372 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.530 -12.839 6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.672 -12.402 8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.719 -10.039 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.787 -10.804 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.704 -12.274 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.569 -11.632 9.515 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.510 -9.280 8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.819 -10.155 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.392 -9.498 10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.332 -11.192 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.064 -10.344 10.948 1.00 0.00 H new ATOM 755 N PRO A 49 -0.959 -12.261 7.290 1.00 0.00 N ATOM 756 CA PRO A 49 0.263 -13.054 7.310 1.00 0.00 C ATOM 757 C PRO A 49 0.044 -14.494 6.837 1.00 0.00 C ATOM 758 O PRO A 49 0.939 -15.075 6.219 1.00 0.00 O ATOM 759 CB PRO A 49 0.751 -12.993 8.763 1.00 0.00 C ATOM 760 CG PRO A 49 0.221 -11.644 9.243 1.00 0.00 C ATOM 761 CD PRO A 49 -1.150 -11.617 8.579 1.00 0.00 C ATOM 0 HA PRO A 49 1.002 -12.657 6.614 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.356 -13.817 9.357 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.838 -13.046 8.827 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.154 -11.590 10.330 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.851 -10.815 8.921 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.889 -12.148 9.179 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.510 -10.595 8.460 1.00 0.00 H new ATOM 769 N SER A 50 -1.133 -15.061 7.099 1.00 0.00 N ATOM 770 CA SER A 50 -1.449 -16.452 6.821 1.00 0.00 C ATOM 771 C SER A 50 -2.304 -16.629 5.555 1.00 0.00 C ATOM 772 O SER A 50 -2.541 -17.770 5.169 1.00 0.00 O ATOM 773 CB SER A 50 -2.113 -17.047 8.071 1.00 0.00 C ATOM 774 OG SER A 50 -1.428 -16.599 9.233 1.00 0.00 O ATOM 0 H SER A 50 -1.908 -14.549 7.520 1.00 0.00 H new ATOM 0 HA SER A 50 -0.529 -16.994 6.604 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.160 -16.748 8.116 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.094 -18.136 8.022 1.00 0.00 H new ATOM 0 HG SER A 50 -1.854 -16.978 10.030 1.00 0.00 H new ATOM 780 N GLY A 51 -2.722 -15.549 4.878 1.00 0.00 N ATOM 781 CA GLY A 51 -3.399 -15.597 3.578 1.00 0.00 C ATOM 782 C GLY A 51 -4.854 -15.118 3.574 1.00 0.00 C ATOM 783 O GLY A 51 -5.433 -14.989 2.498 1.00 0.00 O ATOM 0 H GLY A 51 -2.595 -14.599 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.833 -14.991 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.372 -16.623 3.211 1.00 0.00 H new ATOM 787 N ASP A 52 -5.453 -14.822 4.731 1.00 0.00 N ATOM 788 CA ASP A 52 -6.800 -14.236 4.829 1.00 0.00 C ATOM 789 C ASP A 52 -6.855 -12.902 4.069 1.00 0.00 C ATOM 790 O ASP A 52 -5.911 -12.114 4.144 1.00 0.00 O ATOM 791 CB ASP A 52 -7.163 -13.976 6.298 1.00 0.00 C ATOM 792 CG ASP A 52 -8.247 -14.892 6.850 1.00 0.00 C ATOM 793 OD1 ASP A 52 -9.414 -14.812 6.417 1.00 0.00 O ATOM 794 OD2 ASP A 52 -7.971 -15.581 7.858 1.00 0.00 O ATOM 0 H ASP A 52 -5.015 -14.983 5.638 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.508 -14.941 4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.266 -14.088 6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.491 -12.942 6.401 1.00 0.00 H new ATOM 799 N ASP A 53 -7.957 -12.600 3.382 1.00 0.00 N ATOM 800 CA ASP A 53 -8.166 -11.316 2.704 1.00 0.00 C ATOM 801 C ASP A 53 -8.329 -10.206 3.752 1.00 0.00 C ATOM 802 O ASP A 53 -9.334 -10.184 4.467 1.00 0.00 O ATOM 803 CB ASP A 53 -9.420 -11.357 1.808 1.00 0.00 C ATOM 804 CG ASP A 53 -9.237 -12.056 0.456 1.00 0.00 C ATOM 805 OD1 ASP A 53 -8.129 -12.019 -0.132 1.00 0.00 O ATOM 806 OD2 ASP A 53 -10.249 -12.567 -0.079 1.00 0.00 O ATOM 0 H ASP A 53 -8.740 -13.246 3.278 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.299 -11.116 2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.219 -11.859 2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.751 -10.334 1.628 1.00 0.00 H new ATOM 811 N ARG A 54 -7.373 -9.268 3.880 1.00 0.00 N ATOM 812 CA ARG A 54 -7.523 -8.161 4.846 1.00 0.00 C ATOM 813 C ARG A 54 -8.692 -7.239 4.516 1.00 0.00 C ATOM 814 O ARG A 54 -9.205 -6.565 5.415 1.00 0.00 O ATOM 815 CB ARG A 54 -6.257 -7.289 4.975 1.00 0.00 C ATOM 816 CG ARG A 54 -5.206 -7.929 5.883 1.00 0.00 C ATOM 817 CD ARG A 54 -4.323 -6.897 6.595 1.00 0.00 C ATOM 818 NE ARG A 54 -3.383 -7.534 7.528 1.00 0.00 N ATOM 819 CZ ARG A 54 -3.621 -7.839 8.812 1.00 0.00 C ATOM 820 NH1 ARG A 54 -4.818 -7.645 9.365 1.00 0.00 N ATOM 821 NH2 ARG A 54 -2.645 -8.332 9.555 1.00 0.00 N ATOM 0 H ARG A 54 -6.507 -9.251 3.341 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.710 -8.667 5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.829 -7.124 3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.530 -6.311 5.371 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.706 -8.548 6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.576 -8.591 5.290 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.767 -6.322 5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.953 -6.193 7.138 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.459 -7.767 7.163 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.580 -7.256 8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.973 -7.886 10.344 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.720 -8.478 9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.817 -8.567 10.533 1.00 0.00 H new ATOM 835 N TYR A 55 -9.091 -7.157 3.247 1.00 0.00 N ATOM 836 CA TYR A 55 -10.104 -6.214 2.811 1.00 0.00 C ATOM 837 C TYR A 55 -11.082 -6.915 1.878 1.00 0.00 C ATOM 838 O TYR A 55 -11.026 -6.782 0.652 1.00 0.00 O ATOM 839 CB TYR A 55 -9.451 -4.949 2.235 1.00 0.00 C ATOM 840 CG TYR A 55 -8.487 -4.262 3.196 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.963 -3.563 4.324 1.00 0.00 C ATOM 842 CD2 TYR A 55 -7.099 -4.386 3.003 1.00 0.00 C ATOM 843 CE1 TYR A 55 -8.060 -2.954 5.216 1.00 0.00 C ATOM 844 CE2 TYR A 55 -6.189 -3.766 3.875 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.669 -3.040 4.985 1.00 0.00 C ATOM 846 OH TYR A 55 -5.799 -2.446 5.844 1.00 0.00 O ATOM 0 H TYR A 55 -8.719 -7.743 2.500 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.695 -5.862 3.656 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.915 -5.211 1.323 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.233 -4.244 1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.026 -3.494 4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.727 -4.967 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.431 -2.420 6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.127 -3.845 3.696 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.881 -2.602 5.540 1.00 0.00 H new ATOM 856 N ASN A 56 -12.026 -7.631 2.489 1.00 0.00 N ATOM 857 CA ASN A 56 -13.240 -8.113 1.843 1.00 0.00 C ATOM 858 C ASN A 56 -14.015 -6.921 1.295 1.00 0.00 C ATOM 859 O ASN A 56 -13.798 -5.778 1.714 1.00 0.00 O ATOM 860 CB ASN A 56 -14.136 -8.829 2.871 1.00 0.00 C ATOM 861 CG ASN A 56 -13.888 -10.330 2.929 1.00 0.00 C ATOM 862 OD1 ASN A 56 -13.492 -10.861 3.962 1.00 0.00 O ATOM 863 ND2 ASN A 56 -14.125 -11.062 1.855 1.00 0.00 N ATOM 0 H ASN A 56 -11.963 -7.897 3.472 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.966 -8.802 1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.964 -8.399 3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -15.182 -8.648 2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.979 -12.071 1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.454 -10.618 0.998 1.00 0.00 H new ATOM 870 N GLN A 57 -14.995 -7.173 0.424 1.00 0.00 N ATOM 871 CA GLN A 57 -15.772 -6.081 -0.140 1.00 0.00 C ATOM 872 C GLN A 57 -16.593 -5.344 0.912 1.00 0.00 C ATOM 873 O GLN A 57 -16.842 -4.150 0.759 1.00 0.00 O ATOM 874 CB GLN A 57 -16.652 -6.540 -1.296 1.00 0.00 C ATOM 875 CG GLN A 57 -15.797 -6.803 -2.547 1.00 0.00 C ATOM 876 CD GLN A 57 -16.629 -7.005 -3.810 1.00 0.00 C ATOM 877 OE1 GLN A 57 -17.794 -6.626 -3.888 1.00 0.00 O ATOM 878 NE2 GLN A 57 -16.061 -7.636 -4.820 1.00 0.00 N ATOM 0 H GLN A 57 -15.261 -8.104 0.103 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.046 -5.372 -0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.188 -7.447 -1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.403 -5.781 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.117 -5.965 -2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.181 -7.687 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.092 -7.948 -4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.590 -7.812 -5.674 1.00 0.00 H new ATOM 887 N PHE A 58 -16.895 -6.009 2.025 1.00 0.00 N ATOM 888 CA PHE A 58 -17.457 -5.414 3.225 1.00 0.00 C ATOM 889 C PHE A 58 -16.651 -4.201 3.706 1.00 0.00 C ATOM 890 O PHE A 58 -17.213 -3.294 4.322 1.00 0.00 O ATOM 891 CB PHE A 58 -17.515 -6.509 4.299 1.00 0.00 C ATOM 892 CG PHE A 58 -18.315 -6.132 5.538 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.675 -5.781 5.431 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.703 -6.120 6.806 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.409 -5.423 6.575 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.435 -5.761 7.951 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.791 -5.416 7.836 1.00 0.00 C ATOM 0 H PHE A 58 -16.748 -7.014 2.114 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.456 -5.035 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.949 -7.408 3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.498 -6.760 4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.157 -5.787 4.464 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.661 -6.389 6.900 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.451 -5.153 6.484 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.955 -5.751 8.918 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.357 -5.146 8.715 1.00 0.00 H new ATOM 907 N HIS A 59 -15.341 -4.169 3.448 1.00 0.00 N ATOM 908 CA HIS A 59 -14.461 -3.052 3.747 1.00 0.00 C ATOM 909 C HIS A 59 -14.291 -2.173 2.513 1.00 0.00 C ATOM 910 O HIS A 59 -14.355 -0.959 2.644 1.00 0.00 O ATOM 911 CB HIS A 59 -13.121 -3.577 4.280 1.00 0.00 C ATOM 912 CG HIS A 59 -13.275 -4.485 5.480 1.00 0.00 C ATOM 913 ND1 HIS A 59 -12.422 -5.505 5.848 1.00 0.00 N ATOM 914 CD2 HIS A 59 -14.342 -4.504 6.346 1.00 0.00 C ATOM 915 CE1 HIS A 59 -12.995 -6.135 6.881 1.00 0.00 C ATOM 916 NE2 HIS A 59 -14.179 -5.591 7.201 1.00 0.00 N ATOM 0 H HIS A 59 -14.854 -4.951 3.010 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.903 -2.430 4.525 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.608 -4.119 3.485 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.488 -2.732 4.550 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.161 -3.801 6.361 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.557 -6.978 7.394 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.827 -5.908 7.922 1.00 0.00 H new ATOM 924 N ILE A 60 -14.120 -2.746 1.313 1.00 0.00 N ATOM 925 CA ILE A 60 -13.967 -1.968 0.076 1.00 0.00 C ATOM 926 C ILE A 60 -15.134 -0.997 -0.084 1.00 0.00 C ATOM 927 O ILE A 60 -14.885 0.183 -0.287 1.00 0.00 O ATOM 928 CB ILE A 60 -13.777 -2.892 -1.151 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.524 -3.785 -0.992 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.722 -2.170 -2.511 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.194 -3.037 -0.810 1.00 0.00 C ATOM 0 H ILE A 60 -14.084 -3.756 1.173 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.058 -1.370 0.144 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.680 -3.502 -1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.673 -4.439 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.443 -4.426 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.587 -2.903 -3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.653 -1.627 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.887 -1.469 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.382 -3.757 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.011 -2.404 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.244 -2.418 0.086 1.00 0.00 H new ATOM 943 N ARG A 61 -16.382 -1.444 0.066 1.00 0.00 N ATOM 944 CA ARG A 61 -17.562 -0.581 -0.040 1.00 0.00 C ATOM 945 C ARG A 61 -17.574 0.514 1.026 1.00 0.00 C ATOM 946 O ARG A 61 -18.025 1.632 0.772 1.00 0.00 O ATOM 947 CB ARG A 61 -18.822 -1.447 0.068 1.00 0.00 C ATOM 948 CG ARG A 61 -19.071 -2.254 -1.221 1.00 0.00 C ATOM 949 CD ARG A 61 -19.749 -1.436 -2.337 1.00 0.00 C ATOM 950 NE ARG A 61 -21.199 -1.692 -2.402 1.00 0.00 N ATOM 951 CZ ARG A 61 -22.140 -0.875 -2.887 1.00 0.00 C ATOM 952 NH1 ARG A 61 -21.828 0.331 -3.357 1.00 0.00 N ATOM 953 NH2 ARG A 61 -23.406 -1.270 -2.877 1.00 0.00 N ATOM 0 H ARG A 61 -16.605 -2.419 0.265 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.533 -0.078 -1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.723 -2.130 0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.684 -0.812 0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.120 -2.638 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.693 -3.117 -0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -19.575 -0.374 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.293 -1.683 -3.296 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.519 -2.589 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.858 0.645 -3.351 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -22.559 0.941 -3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.651 -2.187 -2.503 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -24.134 -0.657 -3.244 1.00 0.00 H new ATOM 967 N ARG A 62 -17.083 0.205 2.225 1.00 0.00 N ATOM 968 CA ARG A 62 -16.852 1.173 3.291 1.00 0.00 C ATOM 969 C ARG A 62 -15.877 2.257 2.815 1.00 0.00 C ATOM 970 O ARG A 62 -16.243 3.429 2.825 1.00 0.00 O ATOM 971 CB ARG A 62 -16.393 0.454 4.557 1.00 0.00 C ATOM 972 CG ARG A 62 -17.058 1.074 5.794 1.00 0.00 C ATOM 973 CD ARG A 62 -16.532 0.282 6.976 1.00 0.00 C ATOM 974 NE ARG A 62 -16.991 0.791 8.280 1.00 0.00 N ATOM 975 CZ ARG A 62 -17.736 0.143 9.189 1.00 0.00 C ATOM 976 NH1 ARG A 62 -18.252 -1.059 8.942 1.00 0.00 N ATOM 977 NH2 ARG A 62 -17.977 0.704 10.368 1.00 0.00 N ATOM 0 H ARG A 62 -16.830 -0.748 2.486 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.781 1.684 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.644 -0.605 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.309 0.520 4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.807 2.131 5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.144 1.009 5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -16.842 -0.758 6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.442 0.294 6.954 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.711 1.742 8.519 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -18.085 -1.511 8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -18.815 -1.528 9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.596 1.626 10.582 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.543 0.213 11.060 1.00 0.00 H new ATOM 991 N PHE A 63 -14.699 1.875 2.308 1.00 0.00 N ATOM 992 CA PHE A 63 -13.716 2.810 1.772 1.00 0.00 C ATOM 993 C PHE A 63 -14.265 3.578 0.562 1.00 0.00 C ATOM 994 O PHE A 63 -14.044 4.780 0.486 1.00 0.00 O ATOM 995 CB PHE A 63 -12.416 2.076 1.413 1.00 0.00 C ATOM 996 CG PHE A 63 -11.564 1.585 2.570 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.797 2.498 3.317 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.417 0.208 2.818 1.00 0.00 C ATOM 999 CE1 PHE A 63 -9.888 2.039 4.283 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.479 -0.251 3.759 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.697 0.663 4.483 1.00 0.00 C ATOM 0 H PHE A 63 -14.404 0.900 2.260 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.497 3.543 2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.671 1.218 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.807 2.743 0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.908 3.559 3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -12.029 -0.502 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.332 2.750 4.876 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.359 -1.311 3.926 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.957 0.311 5.186 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.015 2.956 -0.355 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.647 3.636 -1.483 1.00 0.00 C ATOM 1013 C GLU A 64 -16.442 4.841 -0.977 1.00 0.00 C ATOM 1014 O GLU A 64 -16.337 5.918 -1.541 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.548 2.681 -2.292 1.00 0.00 C ATOM 1016 CG GLU A 64 -15.755 1.720 -3.169 1.00 0.00 C ATOM 1017 CD GLU A 64 -16.592 0.732 -3.982 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -17.027 -0.307 -3.430 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -16.686 0.895 -5.222 1.00 0.00 O ATOM 0 H GLU A 64 -15.200 1.953 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.864 3.982 -2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.171 2.108 -1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.220 3.267 -2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.143 2.303 -3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.072 1.155 -2.535 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.154 4.706 0.141 1.00 0.00 N ATOM 1027 CA ALA A 65 -17.934 5.790 0.733 1.00 0.00 C ATOM 1028 C ALA A 65 -17.122 7.050 1.069 1.00 0.00 C ATOM 1029 O ALA A 65 -17.724 8.083 1.362 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.629 5.273 1.988 1.00 0.00 C ATOM 0 H ALA A 65 -17.206 3.833 0.666 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.655 6.100 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.214 6.076 2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.289 4.447 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.881 4.926 2.701 1.00 0.00 H new ATOM 1036 N LEU A 66 -15.790 6.954 1.079 1.00 0.00 N ATOM 1037 CA LEU A 66 -14.833 8.030 1.260 1.00 0.00 C ATOM 1038 C LEU A 66 -14.628 8.740 -0.079 1.00 0.00 C ATOM 1039 O LEU A 66 -14.891 9.936 -0.190 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.509 7.449 1.789 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.653 6.572 3.044 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.304 5.926 3.327 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -14.097 7.393 4.253 1.00 0.00 C ATOM 0 H LEU A 66 -15.327 6.054 0.951 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.203 8.754 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.045 6.858 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.829 8.272 2.012 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.416 5.815 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.380 5.298 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.007 5.315 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.557 6.702 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.188 6.741 5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.359 8.168 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.061 7.856 4.044 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.201 8.012 -1.120 1.00 0.00 N ATOM 1056 CA LEU A 67 -13.975 8.586 -2.445 1.00 0.00 C ATOM 1057 C LEU A 67 -15.252 9.174 -3.030 1.00 0.00 C ATOM 1058 O LEU A 67 -15.196 10.120 -3.812 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.320 7.546 -3.371 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.216 6.537 -4.127 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -14.816 7.055 -5.440 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.376 5.310 -4.474 1.00 0.00 C ATOM 0 H LEU A 67 -14.004 7.013 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.281 9.421 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.738 8.090 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.613 6.972 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.049 6.327 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.427 6.275 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.435 7.929 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.013 7.330 -6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -13.992 4.587 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.538 5.609 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.997 4.857 -3.558 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.407 8.632 -2.645 1.00 0.00 N ATOM 1075 CA GLN A 68 -17.701 9.109 -3.092 1.00 0.00 C ATOM 1076 C GLN A 68 -17.976 10.523 -2.569 1.00 0.00 C ATOM 1077 O GLN A 68 -18.723 11.250 -3.227 1.00 0.00 O ATOM 1078 CB GLN A 68 -18.784 8.112 -2.653 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.564 6.684 -3.203 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.469 6.304 -4.359 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -20.476 5.619 -4.172 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -19.155 6.736 -5.566 1.00 0.00 N ATOM 0 H GLN A 68 -16.463 7.839 -2.006 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.710 9.173 -4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.812 8.074 -1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.757 8.475 -2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.527 6.589 -3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.713 5.970 -2.393 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.318 7.302 -5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.750 6.504 -6.362 1.00 0.00 H new ATOM 1091 N THR A 69 -17.370 10.946 -1.450 1.00 0.00 N ATOM 1092 CA THR A 69 -17.614 12.248 -0.829 1.00 0.00 C ATOM 1093 C THR A 69 -16.435 13.216 -1.017 1.00 0.00 C ATOM 1094 O THR A 69 -16.673 14.425 -1.122 1.00 0.00 O ATOM 1095 CB THR A 69 -17.932 12.052 0.669 1.00 0.00 C ATOM 1096 OG1 THR A 69 -16.862 11.398 1.319 1.00 0.00 O ATOM 1097 CG2 THR A 69 -19.208 11.232 0.860 1.00 0.00 C ATOM 0 H THR A 69 -16.686 10.381 -0.946 1.00 0.00 H new ATOM 0 HA THR A 69 -18.470 12.703 -1.327 1.00 0.00 H new ATOM 0 HB THR A 69 -18.078 13.040 1.105 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.212 11.092 0.652 1.00 0.00 H new ATOM 0 HG21 THR A 69 -19.406 11.110 1.925 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.046 11.748 0.391 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.083 10.252 0.400 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.197 12.712 -1.123 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.980 13.499 -1.318 1.00 0.00 C ATOM 1107 C GLY A 70 -12.856 13.143 -0.346 1.00 0.00 C ATOM 1108 O GLY A 70 -11.708 13.551 -0.544 1.00 0.00 O ATOM 0 H GLY A 70 -15.014 11.710 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.625 13.356 -2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.221 14.557 -1.210 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.147 12.378 0.711 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.119 11.770 1.540 1.00 0.00 C ATOM 1114 C LYS A 71 -11.259 10.839 0.696 1.00 0.00 C ATOM 1115 O LYS A 71 -11.791 9.942 0.048 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.799 10.960 2.645 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.318 11.830 3.786 1.00 0.00 C ATOM 1118 CD LYS A 71 -12.146 12.248 4.672 1.00 0.00 C ATOM 1119 CE LYS A 71 -12.695 12.895 5.930 1.00 0.00 C ATOM 1120 NZ LYS A 71 -11.618 13.128 6.918 1.00 0.00 N ATOM 0 H LYS A 71 -14.099 12.168 1.009 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.488 12.547 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.629 10.397 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.092 10.232 3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.821 12.711 3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.055 11.281 4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.537 11.381 4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.499 12.945 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.173 13.841 5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.463 12.256 6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.018 13.571 7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.179 12.220 7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.899 13.756 6.506 1.00 0.00 H new ATOM 1134 N SER A 72 -9.936 10.967 0.784 1.00 0.00 N ATOM 1135 CA SER A 72 -9.046 9.944 0.257 1.00 0.00 C ATOM 1136 C SER A 72 -9.313 8.631 0.979 1.00 0.00 C ATOM 1137 O SER A 72 -9.034 8.561 2.184 1.00 0.00 O ATOM 1138 CB SER A 72 -7.569 10.304 0.451 1.00 0.00 C ATOM 1139 OG SER A 72 -7.156 11.321 -0.420 1.00 0.00 O ATOM 0 H SER A 72 -9.464 11.763 1.212 1.00 0.00 H new ATOM 0 HA SER A 72 -9.242 9.860 -0.812 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.406 10.621 1.481 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.956 9.417 0.289 1.00 0.00 H new ATOM 0 HG SER A 72 -6.210 11.522 -0.263 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.738 7.578 0.262 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.639 6.241 0.799 1.00 0.00 C ATOM 1147 C PRO A 73 -8.176 5.864 0.944 1.00 0.00 C ATOM 1148 O PRO A 73 -7.851 5.175 1.898 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.342 5.354 -0.211 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.059 6.057 -1.539 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.116 7.525 -1.151 1.00 0.00 C ATOM 0 HA PRO A 73 -10.091 6.144 1.786 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.948 4.338 -0.200 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.411 5.283 -0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.085 5.782 -1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.802 5.808 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.434 8.118 -1.761 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.116 7.932 -1.304 1.00 0.00 H new ATOM 1159 N THR A 74 -7.285 6.358 0.072 1.00 0.00 N ATOM 1160 CA THR A 74 -5.866 6.108 0.171 1.00 0.00 C ATOM 1161 C THR A 74 -5.363 6.471 1.561 1.00 0.00 C ATOM 1162 O THR A 74 -4.699 5.641 2.172 1.00 0.00 O ATOM 1163 CB THR A 74 -5.135 6.888 -0.924 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.705 6.541 -2.170 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.641 6.564 -0.837 1.00 0.00 C ATOM 0 H THR A 74 -7.545 6.944 -0.721 1.00 0.00 H new ATOM 0 HA THR A 74 -5.665 5.047 0.022 1.00 0.00 H new ATOM 0 HB THR A 74 -5.241 7.966 -0.802 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.251 7.033 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.104 7.112 -1.611 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.262 6.855 0.143 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.492 5.494 -0.980 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.655 7.685 2.053 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.190 8.052 3.387 1.00 0.00 C ATOM 1175 C CYS A 75 -5.689 7.049 4.429 1.00 0.00 C ATOM 1176 O CYS A 75 -4.862 6.464 5.117 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.626 9.488 3.708 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.804 10.118 5.203 1.00 0.00 S ATOM 0 H CYS A 75 -6.191 8.402 1.564 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.101 8.018 3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.394 10.137 2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.707 9.519 3.846 1.00 0.00 H new ATOM 0 HG CYS A 75 -5.200 11.334 5.436 1.00 0.00 H new ATOM 1184 N GLU A 76 -7.003 6.842 4.533 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.605 5.987 5.555 1.00 0.00 C ATOM 1186 C GLU A 76 -7.084 4.547 5.482 1.00 0.00 C ATOM 1187 O GLU A 76 -6.846 3.925 6.516 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.127 5.965 5.339 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.866 7.219 5.833 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.873 7.417 7.353 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -10.437 6.565 8.076 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -9.504 8.530 7.805 1.00 0.00 O ATOM 0 H GLU A 76 -7.684 7.267 3.904 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.342 6.393 6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.327 5.838 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.539 5.093 5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.411 8.095 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.898 7.174 5.484 1.00 0.00 H new ATOM 1199 N LEU A 77 -6.946 4.010 4.268 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.506 2.652 3.985 1.00 0.00 C ATOM 1201 C LEU A 77 -5.083 2.483 4.486 1.00 0.00 C ATOM 1202 O LEU A 77 -4.789 1.558 5.236 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.589 2.402 2.464 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.877 1.144 1.926 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.513 -0.171 2.373 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.841 1.225 0.393 1.00 0.00 C ATOM 0 H LEU A 77 -7.149 4.539 3.420 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.144 1.928 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.641 2.341 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.174 3.271 1.954 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.871 1.135 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.954 -1.007 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.495 -0.233 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.545 -0.213 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.341 0.343 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.859 1.270 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.297 2.119 0.089 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.194 3.368 4.039 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.791 3.367 4.394 1.00 0.00 C ATOM 1220 C LEU A 78 -2.616 3.560 5.906 1.00 0.00 C ATOM 1221 O LEU A 78 -1.733 2.948 6.497 1.00 0.00 O ATOM 1222 CB LEU A 78 -2.098 4.482 3.590 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.916 4.172 2.086 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -1.228 5.360 1.408 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -1.108 2.907 1.777 1.00 0.00 C ATOM 0 H LEU A 78 -4.445 4.124 3.402 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.334 2.408 4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.678 5.399 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.119 4.674 4.029 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.921 3.995 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.097 5.147 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.843 6.252 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.254 5.527 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.036 2.776 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.107 3.002 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.605 2.042 2.215 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.442 4.392 6.542 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.386 4.689 7.971 1.00 0.00 C ATOM 1239 C PHE A 79 -3.716 3.434 8.789 1.00 0.00 C ATOM 1240 O PHE A 79 -2.923 3.018 9.636 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.355 5.849 8.255 1.00 0.00 C ATOM 1242 CG PHE A 79 -4.068 6.714 9.463 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -4.077 6.180 10.763 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -3.891 8.098 9.276 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -3.889 7.028 11.869 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -3.671 8.942 10.378 1.00 0.00 C ATOM 1247 CZ PHE A 79 -3.670 8.402 11.674 1.00 0.00 C ATOM 0 H PHE A 79 -4.190 4.892 6.061 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.382 4.993 8.267 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.376 6.493 7.376 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.356 5.432 8.369 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.228 5.121 10.912 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.924 8.514 8.280 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.913 6.622 12.870 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.504 9.999 10.229 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.500 9.046 12.525 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.870 2.826 8.510 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.385 1.602 9.129 1.00 0.00 C ATOM 1259 C ASP A 80 -4.413 0.449 8.893 1.00 0.00 C ATOM 1260 O ASP A 80 -4.029 -0.285 9.806 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.756 1.328 8.498 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.522 0.090 8.972 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.038 -0.689 9.820 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -8.661 -0.063 8.463 1.00 0.00 O ATOM 0 H ASP A 80 -5.508 3.196 7.805 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.488 1.710 10.209 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.386 2.200 8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.619 1.245 7.420 1.00 0.00 H new ATOM 1269 N TRP A 81 -3.909 0.319 7.668 1.00 0.00 N ATOM 1270 CA TRP A 81 -2.909 -0.685 7.372 1.00 0.00 C ATOM 1271 C TRP A 81 -1.600 -0.423 8.137 1.00 0.00 C ATOM 1272 O TRP A 81 -0.918 -1.357 8.562 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.694 -0.750 5.869 1.00 0.00 C ATOM 1274 CG TRP A 81 -1.865 -1.901 5.428 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -1.844 -3.147 5.958 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.874 -1.887 4.376 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -0.887 -3.899 5.312 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.241 -3.160 4.348 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.456 -0.912 3.447 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.807 -3.441 3.473 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.568 -1.208 2.534 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.205 -2.460 2.560 1.00 0.00 C ATOM 0 H TRP A 81 -4.180 0.897 6.872 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.266 -1.657 7.712 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.664 -0.804 5.375 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.219 0.174 5.540 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.477 -3.496 6.760 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.684 -4.876 5.521 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.923 0.062 3.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.303 -4.400 3.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 0.868 -0.468 1.807 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.009 -2.666 1.869 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.278 0.840 8.410 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.216 1.231 9.315 1.00 0.00 C ATOM 1295 C GLY A 82 -0.434 0.658 10.712 1.00 0.00 C ATOM 1296 O GLY A 82 0.467 0.014 11.252 1.00 0.00 O ATOM 0 H GLY A 82 -1.765 1.634 7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.742 0.887 8.925 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.165 2.318 9.370 1.00 0.00 H new ATOM 1300 N THR A 83 -1.619 0.863 11.293 1.00 0.00 N ATOM 1301 CA THR A 83 -1.992 0.311 12.598 1.00 0.00 C ATOM 1302 C THR A 83 -2.114 -1.228 12.557 1.00 0.00 C ATOM 1303 O THR A 83 -2.330 -1.890 13.577 1.00 0.00 O ATOM 1304 CB THR A 83 -3.242 1.054 13.129 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.021 1.418 14.475 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.570 0.292 13.070 1.00 0.00 C ATOM 0 H THR A 83 -2.356 1.424 10.865 1.00 0.00 H new ATOM 0 HA THR A 83 -1.196 0.487 13.321 1.00 0.00 H new ATOM 0 HB THR A 83 -3.357 1.903 12.454 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.807 1.891 14.819 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.367 0.919 13.470 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.796 0.034 12.035 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.493 -0.620 13.663 1.00 0.00 H new ATOM 1314 N THR A 84 -1.959 -1.852 11.394 1.00 0.00 N ATOM 1315 CA THR A 84 -1.977 -3.275 11.179 1.00 0.00 C ATOM 1316 C THR A 84 -0.542 -3.830 11.045 1.00 0.00 C ATOM 1317 O THR A 84 -0.370 -5.040 10.898 1.00 0.00 O ATOM 1318 CB THR A 84 -2.943 -3.440 10.000 1.00 0.00 C ATOM 1319 OG1 THR A 84 -4.226 -2.961 10.377 1.00 0.00 O ATOM 1320 CG2 THR A 84 -3.103 -4.861 9.548 1.00 0.00 C ATOM 0 H THR A 84 -1.809 -1.335 10.528 1.00 0.00 H new ATOM 0 HA THR A 84 -2.341 -3.885 12.005 1.00 0.00 H new ATOM 0 HB THR A 84 -2.515 -2.873 9.173 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.249 -1.985 10.292 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.801 -4.900 8.711 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.136 -5.254 9.233 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.489 -5.463 10.371 1.00 0.00 H new ATOM 1328 N ASN A 85 0.483 -2.987 11.250 1.00 0.00 N ATOM 1329 CA ASN A 85 1.898 -3.343 11.384 1.00 0.00 C ATOM 1330 C ASN A 85 2.435 -3.895 10.067 1.00 0.00 C ATOM 1331 O ASN A 85 2.873 -5.042 9.984 1.00 0.00 O ATOM 1332 CB ASN A 85 2.180 -4.283 12.578 1.00 0.00 C ATOM 1333 CG ASN A 85 1.811 -3.668 13.916 1.00 0.00 C ATOM 1334 OD1 ASN A 85 0.640 -3.588 14.284 1.00 0.00 O ATOM 1335 ND2 ASN A 85 2.776 -3.199 14.685 1.00 0.00 N ATOM 0 H ASN A 85 0.334 -1.981 11.331 1.00 0.00 H new ATOM 0 HA ASN A 85 2.442 -2.427 11.614 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.622 -5.210 12.444 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.238 -4.546 12.584 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.550 -2.771 15.583 1.00 0.00 H new ATOM 0 HD22 ASN A 85 3.748 -3.265 14.381 1.00 0.00 H new ATOM 1342 N CYS A 86 2.411 -3.062 9.027 1.00 0.00 N ATOM 1343 CA CYS A 86 3.118 -3.275 7.769 1.00 0.00 C ATOM 1344 C CYS A 86 3.838 -1.972 7.398 1.00 0.00 C ATOM 1345 O CYS A 86 3.616 -0.932 8.035 1.00 0.00 O ATOM 1346 CB CYS A 86 2.129 -3.727 6.689 1.00 0.00 C ATOM 1347 SG CYS A 86 1.420 -5.346 7.125 1.00 0.00 S ATOM 0 H CYS A 86 1.880 -2.191 9.040 1.00 0.00 H new ATOM 0 HA CYS A 86 3.863 -4.065 7.864 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.333 -2.990 6.583 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.635 -3.791 5.726 1.00 0.00 H new ATOM 0 HG CYS A 86 1.901 -5.737 8.268 1.00 0.00 H new ATOM 1353 N THR A 87 4.717 -2.017 6.397 1.00 0.00 N ATOM 1354 CA THR A 87 5.736 -0.995 6.199 1.00 0.00 C ATOM 1355 C THR A 87 5.757 -0.451 4.773 1.00 0.00 C ATOM 1356 O THR A 87 5.150 -1.007 3.861 1.00 0.00 O ATOM 1357 CB THR A 87 7.109 -1.599 6.553 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.326 -2.731 5.731 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.246 -2.029 8.011 1.00 0.00 C ATOM 0 H THR A 87 4.740 -2.764 5.703 1.00 0.00 H new ATOM 0 HA THR A 87 5.501 -0.152 6.849 1.00 0.00 H new ATOM 0 HB THR A 87 7.847 -0.814 6.388 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.173 -2.628 5.249 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.241 -2.443 8.176 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.100 -1.166 8.660 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.496 -2.786 8.239 1.00 0.00 H new ATOM 1367 N VAL A 88 6.514 0.626 4.572 1.00 0.00 N ATOM 1368 CA VAL A 88 6.784 1.244 3.285 1.00 0.00 C ATOM 1369 C VAL A 88 7.284 0.202 2.279 1.00 0.00 C ATOM 1370 O VAL A 88 6.942 0.296 1.106 1.00 0.00 O ATOM 1371 CB VAL A 88 7.842 2.346 3.501 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.541 2.800 2.211 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.202 3.574 4.150 1.00 0.00 C ATOM 0 H VAL A 88 6.975 1.111 5.342 1.00 0.00 H new ATOM 0 HA VAL A 88 5.871 1.676 2.877 1.00 0.00 H new ATOM 0 HB VAL A 88 8.597 1.899 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.270 3.576 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.049 1.951 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.801 3.196 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.959 4.344 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.414 3.959 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.776 3.296 5.114 1.00 0.00 H new ATOM 1383 N GLY A 89 8.125 -0.741 2.711 1.00 0.00 N ATOM 1384 CA GLY A 89 8.692 -1.741 1.826 1.00 0.00 C ATOM 1385 C GLY A 89 7.624 -2.733 1.409 1.00 0.00 C ATOM 1386 O GLY A 89 7.610 -3.119 0.246 1.00 0.00 O ATOM 0 H GLY A 89 8.426 -0.826 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.116 -1.260 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.507 -2.262 2.328 1.00 0.00 H new ATOM 1390 N ASP A 90 6.728 -3.093 2.333 1.00 0.00 N ATOM 1391 CA ASP A 90 5.572 -3.949 2.057 1.00 0.00 C ATOM 1392 C ASP A 90 4.697 -3.240 1.018 1.00 0.00 C ATOM 1393 O ASP A 90 4.343 -3.816 -0.007 1.00 0.00 O ATOM 1394 CB ASP A 90 4.797 -4.236 3.362 1.00 0.00 C ATOM 1395 CG ASP A 90 4.281 -5.675 3.460 1.00 0.00 C ATOM 1396 OD1 ASP A 90 5.007 -6.531 4.021 1.00 0.00 O ATOM 1397 OD2 ASP A 90 3.106 -5.930 3.112 1.00 0.00 O ATOM 0 H ASP A 90 6.787 -2.794 3.306 1.00 0.00 H new ATOM 0 HA ASP A 90 5.889 -4.913 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.446 -4.032 4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.953 -3.550 3.433 1.00 0.00 H new ATOM 1402 N LEU A 91 4.410 -1.949 1.253 1.00 0.00 N ATOM 1403 CA LEU A 91 3.636 -1.082 0.368 1.00 0.00 C ATOM 1404 C LEU A 91 4.236 -1.078 -1.025 1.00 0.00 C ATOM 1405 O LEU A 91 3.530 -1.405 -1.967 1.00 0.00 O ATOM 1406 CB LEU A 91 3.515 0.337 0.956 1.00 0.00 C ATOM 1407 CG LEU A 91 2.914 1.388 0.002 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.508 1.051 -0.508 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.837 2.737 0.722 1.00 0.00 C ATOM 0 H LEU A 91 4.725 -1.469 2.096 1.00 0.00 H new ATOM 0 HA LEU A 91 2.623 -1.477 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.900 0.290 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.505 0.672 1.264 1.00 0.00 H new ATOM 0 HG LEU A 91 3.575 1.412 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.162 1.843 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.535 0.107 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.826 0.963 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.412 3.484 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.206 2.642 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.838 3.047 1.023 1.00 0.00 H new ATOM 1421 N VAL A 92 5.501 -0.689 -1.166 1.00 0.00 N ATOM 1422 CA VAL A 92 6.229 -0.698 -2.427 1.00 0.00 C ATOM 1423 C VAL A 92 6.048 -2.047 -3.112 1.00 0.00 C ATOM 1424 O VAL A 92 5.706 -2.073 -4.286 1.00 0.00 O ATOM 1425 CB VAL A 92 7.703 -0.381 -2.124 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.708 -0.917 -3.148 1.00 0.00 C ATOM 1427 CG2 VAL A 92 7.900 1.120 -1.889 1.00 0.00 C ATOM 0 H VAL A 92 6.061 -0.350 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 92 5.848 0.057 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 92 7.927 -0.926 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.718 -0.641 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.629 -2.003 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.493 -0.489 -4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.950 1.320 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.599 1.670 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.291 1.439 -1.043 1.00 0.00 H new ATOM 1437 N ASP A 93 6.276 -3.146 -2.400 1.00 0.00 N ATOM 1438 CA ASP A 93 6.264 -4.483 -2.985 1.00 0.00 C ATOM 1439 C ASP A 93 4.912 -4.780 -3.626 1.00 0.00 C ATOM 1440 O ASP A 93 4.828 -5.175 -4.792 1.00 0.00 O ATOM 1441 CB ASP A 93 6.593 -5.536 -1.919 1.00 0.00 C ATOM 1442 CG ASP A 93 7.871 -6.307 -2.259 1.00 0.00 C ATOM 1443 OD1 ASP A 93 8.918 -5.669 -2.542 1.00 0.00 O ATOM 1444 OD2 ASP A 93 7.832 -7.555 -2.277 1.00 0.00 O ATOM 0 H ASP A 93 6.475 -3.135 -1.400 1.00 0.00 H new ATOM 0 HA ASP A 93 7.027 -4.523 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.709 -5.049 -0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.761 -6.234 -1.828 1.00 0.00 H new ATOM 1449 N LEU A 94 3.843 -4.551 -2.865 1.00 0.00 N ATOM 1450 CA LEU A 94 2.469 -4.736 -3.298 1.00 0.00 C ATOM 1451 C LEU A 94 2.136 -3.790 -4.443 1.00 0.00 C ATOM 1452 O LEU A 94 1.509 -4.205 -5.417 1.00 0.00 O ATOM 1453 CB LEU A 94 1.542 -4.474 -2.107 1.00 0.00 C ATOM 1454 CG LEU A 94 1.605 -5.627 -1.090 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.262 -5.103 0.295 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.628 -6.720 -1.504 1.00 0.00 C ATOM 0 H LEU A 94 3.917 -4.222 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 94 2.334 -5.756 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.825 -3.540 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.518 -4.352 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 94 2.612 -6.044 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.307 -5.920 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.976 -4.330 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.257 -4.682 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.671 -7.538 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.383 -6.313 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.896 -7.092 -2.493 1.00 0.00 H new ATOM 1468 N LEU A 95 2.549 -2.524 -4.342 1.00 0.00 N ATOM 1469 CA LEU A 95 2.381 -1.520 -5.389 1.00 0.00 C ATOM 1470 C LEU A 95 3.011 -2.014 -6.689 1.00 0.00 C ATOM 1471 O LEU A 95 2.380 -1.942 -7.737 1.00 0.00 O ATOM 1472 CB LEU A 95 2.988 -0.165 -4.995 1.00 0.00 C ATOM 1473 CG LEU A 95 2.216 0.656 -3.956 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.046 1.910 -3.646 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.806 1.033 -4.410 1.00 0.00 C ATOM 0 H LEU A 95 3.019 -2.164 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 95 1.311 -1.370 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.993 -0.340 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.091 0.438 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 95 2.075 0.047 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.524 2.519 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.018 1.615 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.186 2.488 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.315 1.613 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.864 1.628 -5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.232 0.127 -4.605 1.00 0.00 H new ATOM 1487 N VAL A 96 4.233 -2.532 -6.651 1.00 0.00 N ATOM 1488 CA VAL A 96 4.904 -3.068 -7.826 1.00 0.00 C ATOM 1489 C VAL A 96 4.139 -4.285 -8.374 1.00 0.00 C ATOM 1490 O VAL A 96 4.100 -4.467 -9.595 1.00 0.00 O ATOM 1491 CB VAL A 96 6.379 -3.352 -7.466 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.132 -4.069 -8.587 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.129 -2.039 -7.197 1.00 0.00 C ATOM 0 H VAL A 96 4.789 -2.592 -5.798 1.00 0.00 H new ATOM 0 HA VAL A 96 4.908 -2.345 -8.642 1.00 0.00 H new ATOM 0 HB VAL A 96 6.350 -3.989 -6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.163 -4.243 -8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.650 -5.024 -8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.121 -3.452 -9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.167 -2.258 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.097 -1.412 -8.088 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.657 -1.514 -6.367 1.00 0.00 H new ATOM 1503 N GLN A 97 3.476 -5.080 -7.528 1.00 0.00 N ATOM 1504 CA GLN A 97 2.697 -6.235 -7.968 1.00 0.00 C ATOM 1505 C GLN A 97 1.505 -5.763 -8.812 1.00 0.00 C ATOM 1506 O GLN A 97 1.235 -6.302 -9.887 1.00 0.00 O ATOM 1507 CB GLN A 97 2.344 -7.144 -6.762 1.00 0.00 C ATOM 1508 CG GLN A 97 0.850 -7.390 -6.465 1.00 0.00 C ATOM 1509 CD GLN A 97 0.620 -8.586 -5.530 1.00 0.00 C ATOM 1510 OE1 GLN A 97 1.380 -9.548 -5.505 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -0.481 -8.636 -4.805 1.00 0.00 N ATOM 0 H GLN A 97 3.466 -4.938 -6.518 1.00 0.00 H new ATOM 0 HA GLN A 97 3.284 -6.874 -8.628 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.819 -8.112 -6.921 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.797 -6.710 -5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.421 -6.495 -6.015 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.321 -7.560 -7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.130 -7.849 -4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.683 -9.462 -4.241 1.00 0.00 H new ATOM 1520 N ILE A 98 0.819 -4.711 -8.361 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.325 -4.125 -9.060 1.00 0.00 C ATOM 1522 C ILE A 98 0.119 -3.163 -10.189 1.00 0.00 C ATOM 1523 O ILE A 98 -0.725 -2.446 -10.729 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.314 -3.489 -8.054 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.654 -2.327 -7.309 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.860 -4.509 -7.032 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.636 -1.457 -6.539 1.00 0.00 C ATOM 0 H ILE A 98 1.046 -4.236 -7.487 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.868 -4.924 -9.564 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.156 -3.122 -8.640 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.086 -2.726 -6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.117 -1.706 -8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.549 -4.009 -6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.385 -5.306 -7.558 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.032 -4.933 -6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.095 -0.655 -6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.362 -1.028 -7.230 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.156 -2.064 -5.797 1.00 0.00 H new ATOM 1539 N GLU A 99 1.409 -3.135 -10.562 1.00 0.00 N ATOM 1540 CA GLU A 99 2.016 -2.290 -11.605 1.00 0.00 C ATOM 1541 C GLU A 99 1.980 -0.784 -11.280 1.00 0.00 C ATOM 1542 O GLU A 99 2.160 0.080 -12.152 1.00 0.00 O ATOM 1543 CB GLU A 99 1.459 -2.648 -12.999 1.00 0.00 C ATOM 1544 CG GLU A 99 2.175 -3.872 -13.590 1.00 0.00 C ATOM 1545 CD GLU A 99 1.313 -4.615 -14.611 1.00 0.00 C ATOM 1546 OE1 GLU A 99 0.867 -3.995 -15.607 1.00 0.00 O ATOM 1547 OE2 GLU A 99 1.077 -5.834 -14.426 1.00 0.00 O ATOM 0 H GLU A 99 2.099 -3.739 -10.116 1.00 0.00 H new ATOM 0 HA GLU A 99 3.081 -2.520 -11.626 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.390 -2.850 -12.925 1.00 0.00 H new ATOM 0 HB3 GLU A 99 1.577 -1.797 -13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.102 -3.553 -14.065 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.448 -4.554 -12.785 1.00 0.00 H new ATOM 1554 N LEU A 100 1.804 -0.444 -10.002 1.00 0.00 N ATOM 1555 CA LEU A 100 1.813 0.925 -9.496 1.00 0.00 C ATOM 1556 C LEU A 100 3.249 1.351 -9.191 1.00 0.00 C ATOM 1557 O LEU A 100 3.628 1.733 -8.079 1.00 0.00 O ATOM 1558 CB LEU A 100 0.873 1.094 -8.291 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.529 1.631 -8.625 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.424 3.066 -9.145 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.314 0.786 -9.636 1.00 0.00 C ATOM 0 H LEU A 100 1.647 -1.137 -9.270 1.00 0.00 H new ATOM 0 HA LEU A 100 1.423 1.590 -10.267 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.767 0.129 -7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.343 1.770 -7.576 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.089 1.586 -7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.420 3.442 -9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.031 3.697 -8.382 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.192 3.083 -10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.289 1.240 -9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.763 0.738 -10.575 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.448 -0.221 -9.242 1.00 0.00 H new ATOM 1573 N PHE A 101 4.067 1.313 -10.231 1.00 0.00 N ATOM 1574 CA PHE A 101 5.475 1.629 -10.140 1.00 0.00 C ATOM 1575 C PHE A 101 5.692 3.092 -9.754 1.00 0.00 C ATOM 1576 O PHE A 101 6.657 3.382 -9.060 1.00 0.00 O ATOM 1577 CB PHE A 101 6.185 1.313 -11.466 1.00 0.00 C ATOM 1578 CG PHE A 101 5.947 -0.072 -12.051 1.00 0.00 C ATOM 1579 CD1 PHE A 101 6.038 -1.229 -11.250 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.631 -0.201 -13.417 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.801 -2.496 -11.812 1.00 0.00 C ATOM 1582 CE2 PHE A 101 5.398 -1.469 -13.977 1.00 0.00 C ATOM 1583 CZ PHE A 101 5.492 -2.617 -13.174 1.00 0.00 C ATOM 0 H PHE A 101 3.764 1.058 -11.171 1.00 0.00 H new ATOM 0 HA PHE A 101 5.906 1.008 -9.355 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.875 2.053 -12.204 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.257 1.441 -11.318 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.290 -1.142 -10.203 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.567 0.680 -14.038 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.857 -3.379 -11.192 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.147 -1.560 -15.023 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.326 -3.593 -13.606 1.00 0.00 H new ATOM 1593 N ALA A 102 4.806 4.015 -10.155 1.00 0.00 N ATOM 1594 CA ALA A 102 4.931 5.438 -9.828 1.00 0.00 C ATOM 1595 C ALA A 102 5.043 5.688 -8.307 1.00 0.00 C ATOM 1596 O ALA A 102 6.088 6.176 -7.866 1.00 0.00 O ATOM 1597 CB ALA A 102 3.809 6.249 -10.491 1.00 0.00 C ATOM 0 H ALA A 102 3.983 3.793 -10.715 1.00 0.00 H new ATOM 0 HA ALA A 102 5.873 5.794 -10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.921 7.302 -10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.865 6.131 -11.573 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.843 5.890 -10.137 1.00 0.00 H new ATOM 1603 N PRO A 103 4.032 5.363 -7.477 1.00 0.00 N ATOM 1604 CA PRO A 103 4.114 5.559 -6.031 1.00 0.00 C ATOM 1605 C PRO A 103 5.205 4.707 -5.368 1.00 0.00 C ATOM 1606 O PRO A 103 5.847 5.198 -4.440 1.00 0.00 O ATOM 1607 CB PRO A 103 2.731 5.245 -5.462 1.00 0.00 C ATOM 1608 CG PRO A 103 2.032 4.477 -6.570 1.00 0.00 C ATOM 1609 CD PRO A 103 2.704 4.923 -7.855 1.00 0.00 C ATOM 0 HA PRO A 103 4.402 6.588 -5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.802 4.651 -4.551 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.190 6.156 -5.208 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.133 3.401 -6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.965 4.697 -6.588 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.753 4.105 -8.574 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.145 5.730 -8.328 1.00 0.00 H new ATOM 1617 N ALA A 104 5.444 3.478 -5.850 1.00 0.00 N ATOM 1618 CA ALA A 104 6.553 2.635 -5.402 1.00 0.00 C ATOM 1619 C ALA A 104 7.867 3.413 -5.560 1.00 0.00 C ATOM 1620 O ALA A 104 8.599 3.555 -4.588 1.00 0.00 O ATOM 1621 CB ALA A 104 6.560 1.335 -6.213 1.00 0.00 C ATOM 0 H ALA A 104 4.866 3.041 -6.568 1.00 0.00 H new ATOM 0 HA ALA A 104 6.438 2.372 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.385 0.704 -5.882 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.618 0.808 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.682 1.567 -7.271 1.00 0.00 H new ATOM 1627 N THR A 105 8.118 4.001 -6.734 1.00 0.00 N ATOM 1628 CA THR A 105 9.356 4.695 -7.059 1.00 0.00 C ATOM 1629 C THR A 105 9.531 5.933 -6.171 1.00 0.00 C ATOM 1630 O THR A 105 10.660 6.301 -5.834 1.00 0.00 O ATOM 1631 CB THR A 105 9.308 5.142 -8.533 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.181 4.065 -9.430 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.510 5.952 -9.005 1.00 0.00 C ATOM 0 H THR A 105 7.445 4.004 -7.500 1.00 0.00 H new ATOM 0 HA THR A 105 10.193 4.018 -6.891 1.00 0.00 H new ATOM 0 HB THR A 105 8.423 5.778 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.232 3.896 -9.606 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.380 6.218 -10.054 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.594 6.860 -8.408 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.417 5.358 -8.891 1.00 0.00 H new ATOM 1641 N LEU A 106 8.434 6.625 -5.827 1.00 0.00 N ATOM 1642 CA LEU A 106 8.513 7.831 -5.018 1.00 0.00 C ATOM 1643 C LEU A 106 9.086 7.485 -3.643 1.00 0.00 C ATOM 1644 O LEU A 106 9.913 8.229 -3.111 1.00 0.00 O ATOM 1645 CB LEU A 106 7.112 8.457 -4.919 1.00 0.00 C ATOM 1646 CG LEU A 106 7.056 9.639 -3.927 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.879 10.849 -4.389 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.608 10.077 -3.719 1.00 0.00 C ATOM 0 H LEU A 106 7.487 6.363 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 106 9.179 8.562 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.802 8.801 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.399 7.694 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 106 7.490 9.281 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.800 11.646 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.924 10.558 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.499 11.203 -5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.577 10.911 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.182 10.389 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.030 9.244 -3.318 1.00 0.00 H new ATOM 1660 N LEU A 107 8.634 6.368 -3.071 1.00 0.00 N ATOM 1661 CA LEU A 107 9.107 5.856 -1.790 1.00 0.00 C ATOM 1662 C LEU A 107 10.523 5.307 -1.960 1.00 0.00 C ATOM 1663 O LEU A 107 11.434 5.690 -1.227 1.00 0.00 O ATOM 1664 CB LEU A 107 8.142 4.772 -1.284 1.00 0.00 C ATOM 1665 CG LEU A 107 6.749 5.322 -0.917 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.726 4.184 -0.878 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.756 6.065 0.429 1.00 0.00 C ATOM 0 H LEU A 107 7.914 5.784 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 107 9.136 6.656 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.032 4.006 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.576 4.288 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 107 6.470 6.040 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.746 4.584 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.675 3.707 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.028 3.449 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.754 6.435 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.070 5.383 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.449 6.905 0.377 1.00 0.00 H new ATOM 1679 N LEU A 108 10.706 4.423 -2.937 1.00 0.00 N ATOM 1680 CA LEU A 108 11.912 3.648 -3.170 1.00 0.00 C ATOM 1681 C LEU A 108 12.102 3.492 -4.676 1.00 0.00 C ATOM 1682 O LEU A 108 11.528 2.585 -5.282 1.00 0.00 O ATOM 1683 CB LEU A 108 11.774 2.280 -2.506 1.00 0.00 C ATOM 1684 CG LEU A 108 12.568 2.182 -1.208 1.00 0.00 C ATOM 1685 CD1 LEU A 108 11.984 1.072 -0.342 1.00 0.00 C ATOM 1686 CD2 LEU A 108 14.051 1.927 -1.501 1.00 0.00 C ATOM 0 H LEU A 108 9.977 4.221 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 108 12.779 4.154 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.722 2.083 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.114 1.508 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 108 12.496 3.126 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.550 0.999 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.942 1.297 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.042 0.124 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.601 1.860 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.158 0.992 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.450 2.747 -2.098 1.00 0.00 H new ATOM 1698 N PRO A 109 12.913 4.354 -5.298 1.00 0.00 N ATOM 1699 CA PRO A 109 13.132 4.299 -6.728 1.00 0.00 C ATOM 1700 C PRO A 109 13.920 3.046 -7.086 1.00 0.00 C ATOM 1701 O PRO A 109 13.667 2.444 -8.118 1.00 0.00 O ATOM 1702 CB PRO A 109 13.873 5.584 -7.079 1.00 0.00 C ATOM 1703 CG PRO A 109 14.517 6.054 -5.772 1.00 0.00 C ATOM 1704 CD PRO A 109 13.680 5.409 -4.667 1.00 0.00 C ATOM 0 HA PRO A 109 12.204 4.236 -7.297 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.627 5.406 -7.846 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.189 6.336 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.560 5.742 -5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.504 7.141 -5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.319 5.008 -3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 109 13.022 6.142 -4.200 1.00 0.00 H new ATOM 1712 N ASP A 110 14.849 2.635 -6.220 1.00 0.00 N ATOM 1713 CA ASP A 110 15.726 1.497 -6.462 1.00 0.00 C ATOM 1714 C ASP A 110 15.076 0.163 -6.098 1.00 0.00 C ATOM 1715 O ASP A 110 15.619 -0.871 -6.479 1.00 0.00 O ATOM 1716 CB ASP A 110 17.045 1.668 -5.690 1.00 0.00 C ATOM 1717 CG ASP A 110 18.091 2.535 -6.396 1.00 0.00 C ATOM 1718 OD1 ASP A 110 17.883 3.040 -7.527 1.00 0.00 O ATOM 1719 OD2 ASP A 110 19.172 2.720 -5.797 1.00 0.00 O ATOM 0 H ASP A 110 15.012 3.091 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 110 15.927 1.474 -7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.826 2.107 -4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 110 17.473 0.683 -5.507 1.00 0.00 H new ATOM 1724 N ALA A 111 13.957 0.130 -5.360 1.00 0.00 N ATOM 1725 CA ALA A 111 13.296 -1.144 -5.073 1.00 0.00 C ATOM 1726 C ALA A 111 12.689 -1.741 -6.341 1.00 0.00 C ATOM 1727 O ALA A 111 12.873 -2.928 -6.623 1.00 0.00 O ATOM 1728 CB ALA A 111 12.191 -0.970 -4.033 1.00 0.00 C ATOM 0 H ALA A 111 13.502 0.951 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 111 14.057 -1.819 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.718 -1.933 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.619 -0.584 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.446 -0.268 -4.408 1.00 0.00 H new ATOM 1734 N VAL A 112 11.892 -0.944 -7.048 1.00 0.00 N ATOM 1735 CA VAL A 112 11.166 -1.370 -8.228 1.00 0.00 C ATOM 1736 C VAL A 112 12.188 -1.791 -9.303 1.00 0.00 C ATOM 1737 O VAL A 112 13.202 -1.112 -9.477 1.00 0.00 O ATOM 1738 CB VAL A 112 10.198 -0.242 -8.641 1.00 0.00 C ATOM 1739 CG1 VAL A 112 10.889 1.093 -8.925 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.311 -0.664 -9.816 1.00 0.00 C ATOM 0 H VAL A 112 11.734 0.034 -6.807 1.00 0.00 H new ATOM 0 HA VAL A 112 10.541 -2.246 -8.052 1.00 0.00 H new ATOM 0 HB VAL A 112 9.563 -0.072 -7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.143 1.836 -9.209 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.413 1.429 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.604 0.967 -9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.642 0.155 -10.080 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.937 -0.912 -10.673 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.722 -1.536 -9.532 1.00 0.00 H new ATOM 1750 N PRO A 113 11.960 -2.891 -10.044 1.00 0.00 N ATOM 1751 CA PRO A 113 12.945 -3.439 -10.977 1.00 0.00 C ATOM 1752 C PRO A 113 13.270 -2.553 -12.193 1.00 0.00 C ATOM 1753 O PRO A 113 14.021 -2.997 -13.066 1.00 0.00 O ATOM 1754 CB PRO A 113 12.422 -4.828 -11.374 1.00 0.00 C ATOM 1755 CG PRO A 113 10.938 -4.800 -11.032 1.00 0.00 C ATOM 1756 CD PRO A 113 10.868 -3.833 -9.857 1.00 0.00 C ATOM 0 HA PRO A 113 13.914 -3.495 -10.481 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.579 -5.021 -12.435 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.939 -5.616 -10.827 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.338 -4.455 -11.874 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.569 -5.789 -10.762 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.908 -3.317 -9.834 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.968 -4.363 -8.910 1.00 0.00 H new