USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 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 24 HIS : no HD1:sc= -0.185 X(o=-0.19,f=-0.017) USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.553 K(o=0.55,f=-0.18) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -1.52 K(o=-1.5,f=-10!) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= -0.0201 (180deg=-0.145) USER MOD Single : A 31 ASN : amide:sc= -3.17! K(o=-3.2!,f=-0.14) USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= 1.22 (180deg=1) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 40 SER OG : rot 180:sc= -0.909 USER MOD Single : A 44 ASN : amide:sc= -0.062 K(o=-0.062,f=-3.5!) USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= -1.65! (180deg=-3.71!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -137:sc= 0.101 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -26:sc= 0.545 USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= 1.16 (180deg=0.98) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -153:sc= -1.2! USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.265 X(o=0.27,f=-0.04) USER MOD Single : A 98 LYS NZ :NH3+ 152:sc= 1.26 (180deg=0.799) USER MOD Single : A 102 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0601) USER MOD ----------------------------------------------------------------- ATOM 135 N GLY A 9 12.621 -1.503 -15.182 1.00 42.32 N ATOM 136 CA GLY A 9 12.157 -1.187 -13.845 1.00 63.02 C ATOM 137 C GLY A 9 11.856 0.289 -13.682 1.00 35.41 C ATOM 138 O GLY A 9 12.054 1.074 -14.614 1.00 70.41 O ATOM 0 HA2 GLY A 9 11.260 -1.766 -13.626 1.00 63.02 H new ATOM 0 HA3 GLY A 9 12.913 -1.485 -13.119 1.00 63.02 H new ATOM 142 N GLU A 10 11.383 0.665 -12.499 1.00 61.31 N ATOM 143 CA GLU A 10 11.063 2.055 -12.193 1.00 22.23 C ATOM 144 C GLU A 10 11.145 2.281 -10.684 1.00 3.22 C ATOM 145 O GLU A 10 12.119 2.852 -10.184 1.00 52.14 O ATOM 146 CB GLU A 10 9.668 2.424 -12.724 1.00 62.21 C ATOM 147 CG GLU A 10 9.296 3.886 -12.507 1.00 31.34 C ATOM 148 CD GLU A 10 7.918 4.230 -13.048 1.00 61.15 C ATOM 149 OE1 GLU A 10 7.786 4.424 -14.276 1.00 31.20 O ATOM 150 OE2 GLU A 10 6.959 4.306 -12.252 1.00 11.31 O ATOM 0 H GLU A 10 11.211 0.019 -11.729 1.00 61.31 H new ATOM 0 HA GLU A 10 11.788 2.701 -12.688 1.00 22.23 H new ATOM 0 HB2 GLU A 10 9.624 2.202 -13.790 1.00 62.21 H new ATOM 0 HB3 GLU A 10 8.925 1.793 -12.236 1.00 62.21 H new ATOM 0 HG2 GLU A 10 9.329 4.110 -11.441 1.00 31.34 H new ATOM 0 HG3 GLU A 10 10.039 4.521 -12.989 1.00 31.34 H new ATOM 157 N ILE A 11 10.130 1.815 -9.961 1.00 53.23 N ATOM 158 CA ILE A 11 10.113 1.892 -8.502 1.00 44.33 C ATOM 159 C ILE A 11 9.711 0.535 -7.921 1.00 5.31 C ATOM 160 O ILE A 11 8.527 0.221 -7.789 1.00 53.41 O ATOM 161 CB ILE A 11 9.146 2.997 -7.988 1.00 33.32 C ATOM 162 CG1 ILE A 11 9.519 4.365 -8.587 1.00 63.45 C ATOM 163 CG2 ILE A 11 9.167 3.055 -6.457 1.00 21.20 C ATOM 164 CD1 ILE A 11 8.583 5.488 -8.191 1.00 5.32 C ATOM 0 H ILE A 11 9.302 1.377 -10.365 1.00 53.23 H new ATOM 0 HA ILE A 11 11.117 2.156 -8.170 1.00 44.33 H new ATOM 0 HB ILE A 11 8.135 2.748 -8.310 1.00 33.32 H new ATOM 0 HG12 ILE A 11 10.531 4.623 -8.275 1.00 63.45 H new ATOM 0 HG13 ILE A 11 9.532 4.283 -9.674 1.00 63.45 H new ATOM 0 HG21 ILE A 11 8.485 3.833 -6.113 1.00 21.20 H new ATOM 0 HG22 ILE A 11 8.853 2.093 -6.052 1.00 21.20 H new ATOM 0 HG23 ILE A 11 10.177 3.281 -6.115 1.00 21.20 H new ATOM 0 HD11 ILE A 11 8.914 6.418 -8.654 1.00 5.32 H new ATOM 0 HD12 ILE A 11 7.573 5.255 -8.527 1.00 5.32 H new ATOM 0 HD13 ILE A 11 8.588 5.600 -7.107 1.00 5.32 H new ATOM 176 N MET A 12 10.719 -0.272 -7.614 1.00 5.01 N ATOM 177 CA MET A 12 10.519 -1.608 -7.060 1.00 11.12 C ATOM 178 C MET A 12 10.799 -1.598 -5.558 1.00 14.41 C ATOM 179 O MET A 12 11.911 -1.279 -5.123 1.00 1.21 O ATOM 180 CB MET A 12 11.427 -2.628 -7.773 1.00 21.44 C ATOM 181 CG MET A 12 12.902 -2.240 -7.778 1.00 11.04 C ATOM 182 SD MET A 12 13.203 -0.711 -8.691 1.00 22.40 S ATOM 183 CE MET A 12 14.890 -0.345 -8.219 1.00 32.23 C ATOM 0 H MET A 12 11.699 -0.020 -7.742 1.00 5.01 H new ATOM 0 HA MET A 12 9.482 -1.904 -7.220 1.00 11.12 H new ATOM 0 HB2 MET A 12 11.318 -3.599 -7.289 1.00 21.44 H new ATOM 0 HB3 MET A 12 11.088 -2.745 -8.802 1.00 21.44 H new ATOM 0 HG2 MET A 12 13.248 -2.122 -6.751 1.00 11.04 H new ATOM 0 HG3 MET A 12 13.486 -3.046 -8.221 1.00 11.04 H new ATOM 0 HE1 MET A 12 15.213 0.574 -8.707 1.00 32.23 H new ATOM 0 HE2 MET A 12 14.946 -0.221 -7.138 1.00 32.23 H new ATOM 0 HE3 MET A 12 15.539 -1.165 -8.524 1.00 32.23 H new ATOM 193 N ILE A 13 9.787 -1.930 -4.771 1.00 31.33 N ATOM 194 CA ILE A 13 9.901 -1.913 -3.318 1.00 50.40 C ATOM 195 C ILE A 13 10.133 -3.327 -2.796 1.00 52.41 C ATOM 196 O ILE A 13 9.270 -4.189 -2.936 1.00 3.23 O ATOM 197 CB ILE A 13 8.624 -1.330 -2.661 1.00 3.42 C ATOM 198 CG1 ILE A 13 8.182 -0.048 -3.387 1.00 54.32 C ATOM 199 CG2 ILE A 13 8.854 -1.060 -1.169 1.00 24.42 C ATOM 200 CD1 ILE A 13 9.247 1.029 -3.448 1.00 52.04 C ATOM 0 H ILE A 13 8.871 -2.217 -5.116 1.00 31.33 H new ATOM 0 HA ILE A 13 10.748 -1.278 -3.058 1.00 50.40 H new ATOM 0 HB ILE A 13 7.826 -2.067 -2.751 1.00 3.42 H new ATOM 0 HG12 ILE A 13 7.881 -0.304 -4.403 1.00 54.32 H new ATOM 0 HG13 ILE A 13 7.302 0.355 -2.886 1.00 54.32 H new ATOM 0 HG21 ILE A 13 7.944 -0.651 -0.729 1.00 24.42 H new ATOM 0 HG22 ILE A 13 9.113 -1.992 -0.666 1.00 24.42 H new ATOM 0 HG23 ILE A 13 9.668 -0.345 -1.050 1.00 24.42 H new ATOM 0 HD11 ILE A 13 8.855 1.899 -3.976 1.00 52.04 H new ATOM 0 HD12 ILE A 13 9.532 1.317 -2.436 1.00 52.04 H new ATOM 0 HD13 ILE A 13 10.121 0.647 -3.976 1.00 52.04 H new ATOM 212 N LEU A 14 11.306 -3.568 -2.225 1.00 65.32 N ATOM 213 CA LEU A 14 11.630 -4.875 -1.660 1.00 4.45 C ATOM 214 C LEU A 14 11.659 -4.792 -0.138 1.00 12.13 C ATOM 215 O LEU A 14 12.528 -4.137 0.443 1.00 34.21 O ATOM 216 CB LEU A 14 12.976 -5.395 -2.201 1.00 15.05 C ATOM 217 CG LEU A 14 12.943 -5.978 -3.633 1.00 1.14 C ATOM 218 CD1 LEU A 14 12.577 -4.919 -4.668 1.00 74.30 C ATOM 219 CD2 LEU A 14 14.283 -6.627 -3.977 1.00 43.12 C ATOM 0 H LEU A 14 12.051 -2.876 -2.140 1.00 65.32 H new ATOM 0 HA LEU A 14 10.856 -5.581 -1.960 1.00 4.45 H new ATOM 0 HB2 LEU A 14 13.696 -4.577 -2.178 1.00 15.05 H new ATOM 0 HB3 LEU A 14 13.346 -6.165 -1.524 1.00 15.05 H new ATOM 0 HG LEU A 14 12.166 -6.742 -3.659 1.00 1.14 H new ATOM 0 HD11 LEU A 14 12.565 -5.369 -5.661 1.00 74.30 H new ATOM 0 HD12 LEU A 14 11.591 -4.514 -4.441 1.00 74.30 H new ATOM 0 HD13 LEU A 14 13.314 -4.116 -4.643 1.00 74.30 H new ATOM 0 HD21 LEU A 14 14.242 -7.032 -4.988 1.00 43.12 H new ATOM 0 HD22 LEU A 14 15.075 -5.880 -3.917 1.00 43.12 H new ATOM 0 HD23 LEU A 14 14.489 -7.432 -3.272 1.00 43.12 H new ATOM 231 N ILE A 15 10.690 -5.444 0.493 1.00 45.51 N ATOM 232 CA ILE A 15 10.585 -5.488 1.948 1.00 64.23 C ATOM 233 C ILE A 15 10.035 -6.847 2.377 1.00 13.33 C ATOM 234 O ILE A 15 9.193 -7.419 1.685 1.00 21.15 O ATOM 235 CB ILE A 15 9.673 -4.352 2.489 1.00 63.31 C ATOM 236 CG1 ILE A 15 9.557 -4.428 4.024 1.00 54.42 C ATOM 237 CG2 ILE A 15 8.291 -4.402 1.836 1.00 64.25 C ATOM 238 CD1 ILE A 15 8.669 -3.360 4.631 1.00 61.31 C ATOM 0 H ILE A 15 9.953 -5.958 0.010 1.00 45.51 H new ATOM 0 HA ILE A 15 11.581 -5.342 2.367 1.00 64.23 H new ATOM 0 HB ILE A 15 10.133 -3.398 2.230 1.00 63.31 H new ATOM 0 HG12 ILE A 15 9.169 -5.408 4.300 1.00 54.42 H new ATOM 0 HG13 ILE A 15 10.554 -4.346 4.457 1.00 54.42 H new ATOM 0 HG21 ILE A 15 7.672 -3.597 2.232 1.00 64.25 H new ATOM 0 HG22 ILE A 15 8.394 -4.284 0.757 1.00 64.25 H new ATOM 0 HG23 ILE A 15 7.821 -5.361 2.053 1.00 64.25 H new ATOM 0 HD11 ILE A 15 8.640 -3.483 5.714 1.00 61.31 H new ATOM 0 HD12 ILE A 15 9.067 -2.375 4.388 1.00 61.31 H new ATOM 0 HD13 ILE A 15 7.660 -3.453 4.228 1.00 61.31 H new ATOM 250 N GLN A 16 10.537 -7.376 3.498 1.00 34.45 N ATOM 251 CA GLN A 16 10.127 -8.695 3.995 1.00 22.35 C ATOM 252 C GLN A 16 10.408 -9.774 2.944 1.00 21.01 C ATOM 253 O GLN A 16 9.795 -10.845 2.960 1.00 44.42 O ATOM 254 CB GLN A 16 8.631 -8.701 4.368 1.00 63.43 C ATOM 255 CG GLN A 16 8.277 -7.824 5.566 1.00 32.35 C ATOM 256 CD GLN A 16 8.946 -8.285 6.848 1.00 2.45 C ATOM 257 OE1 GLN A 16 10.043 -7.843 7.187 1.00 10.40 O ATOM 258 NE2 GLN A 16 8.292 -9.188 7.566 1.00 1.10 N ATOM 0 H GLN A 16 11.231 -6.909 4.081 1.00 34.45 H new ATOM 0 HA GLN A 16 10.708 -8.913 4.891 1.00 22.35 H new ATOM 0 HB2 GLN A 16 8.053 -8.368 3.506 1.00 63.43 H new ATOM 0 HB3 GLN A 16 8.326 -9.726 4.580 1.00 63.43 H new ATOM 0 HG2 GLN A 16 8.571 -6.795 5.357 1.00 32.35 H new ATOM 0 HG3 GLN A 16 7.196 -7.825 5.705 1.00 32.35 H new ATOM 0 HE21 GLN A 16 7.384 -9.530 7.251 1.00 1.10 H new ATOM 0 HE22 GLN A 16 8.697 -9.541 8.433 1.00 1.10 H new ATOM 267 N ASN A 17 11.355 -9.483 2.045 1.00 41.13 N ATOM 268 CA ASN A 17 11.673 -10.370 0.922 1.00 1.02 C ATOM 269 C ASN A 17 10.463 -10.526 -0.003 1.00 62.31 C ATOM 270 O ASN A 17 10.216 -11.598 -0.560 1.00 32.14 O ATOM 271 CB ASN A 17 12.169 -11.742 1.417 1.00 42.45 C ATOM 272 CG ASN A 17 13.619 -11.714 1.876 1.00 14.32 C ATOM 273 OD1 ASN A 17 13.916 -11.436 3.041 1.00 73.11 O ATOM 274 ND2 ASN A 17 14.536 -12.007 0.966 1.00 10.34 N ATOM 0 H ASN A 17 11.918 -8.633 2.075 1.00 41.13 H new ATOM 0 HA ASN A 17 12.482 -9.913 0.352 1.00 1.02 H new ATOM 0 HB2 ASN A 17 11.538 -12.076 2.241 1.00 42.45 H new ATOM 0 HB3 ASN A 17 12.060 -12.473 0.616 1.00 42.45 H new ATOM 0 HD21 ASN A 17 15.524 -12.008 1.219 1.00 10.34 H new ATOM 0 HD22 ASN A 17 14.254 -12.232 0.012 1.00 10.34 H new ATOM 281 N ALA A 18 9.718 -9.437 -0.162 1.00 42.13 N ATOM 282 CA ALA A 18 8.615 -9.370 -1.111 1.00 25.24 C ATOM 283 C ALA A 18 8.844 -8.198 -2.063 1.00 62.10 C ATOM 284 O ALA A 18 9.308 -7.136 -1.640 1.00 64.31 O ATOM 285 CB ALA A 18 7.283 -9.230 -0.379 1.00 44.51 C ATOM 0 H ALA A 18 9.863 -8.576 0.365 1.00 42.13 H new ATOM 0 HA ALA A 18 8.576 -10.294 -1.688 1.00 25.24 H new ATOM 0 HB1 ALA A 18 6.472 -9.182 -1.106 1.00 44.51 H new ATOM 0 HB2 ALA A 18 7.134 -10.090 0.274 1.00 44.51 H new ATOM 0 HB3 ALA A 18 7.290 -8.318 0.218 1.00 44.51 H new ATOM 291 N GLU A 19 8.538 -8.401 -3.343 1.00 52.42 N ATOM 292 CA GLU A 19 8.804 -7.401 -4.376 1.00 72.33 C ATOM 293 C GLU A 19 7.506 -6.700 -4.788 1.00 44.12 C ATOM 294 O GLU A 19 6.527 -7.354 -5.163 1.00 52.02 O ATOM 295 CB GLU A 19 9.461 -8.086 -5.587 1.00 75.45 C ATOM 296 CG GLU A 19 10.130 -7.136 -6.574 1.00 73.34 C ATOM 297 CD GLU A 19 10.894 -7.883 -7.657 1.00 15.52 C ATOM 298 OE1 GLU A 19 11.974 -8.433 -7.354 1.00 72.42 O ATOM 299 OE2 GLU A 19 10.424 -7.925 -8.815 1.00 3.00 O ATOM 0 H GLU A 19 8.103 -9.255 -3.692 1.00 52.42 H new ATOM 0 HA GLU A 19 9.483 -6.644 -3.982 1.00 72.33 H new ATOM 0 HB2 GLU A 19 10.206 -8.795 -5.226 1.00 75.45 H new ATOM 0 HB3 GLU A 19 8.702 -8.662 -6.116 1.00 75.45 H new ATOM 0 HG2 GLU A 19 9.373 -6.502 -7.036 1.00 73.34 H new ATOM 0 HG3 GLU A 19 10.813 -6.478 -6.037 1.00 73.34 H new ATOM 306 N PHE A 20 7.500 -5.370 -4.701 1.00 75.42 N ATOM 307 CA PHE A 20 6.325 -4.560 -5.034 1.00 73.34 C ATOM 308 C PHE A 20 6.667 -3.557 -6.134 1.00 70.02 C ATOM 309 O PHE A 20 7.836 -3.229 -6.341 1.00 62.13 O ATOM 310 CB PHE A 20 5.836 -3.778 -3.802 1.00 13.04 C ATOM 311 CG PHE A 20 5.522 -4.622 -2.593 1.00 42.35 C ATOM 312 CD1 PHE A 20 6.534 -5.061 -1.751 1.00 4.55 C ATOM 313 CD2 PHE A 20 4.213 -4.958 -2.287 1.00 24.33 C ATOM 314 CE1 PHE A 20 6.247 -5.825 -0.638 1.00 20.14 C ATOM 315 CE2 PHE A 20 3.922 -5.721 -1.173 1.00 43.14 C ATOM 316 CZ PHE A 20 4.939 -6.153 -0.348 1.00 33.53 C ATOM 0 H PHE A 20 8.306 -4.824 -4.399 1.00 75.42 H new ATOM 0 HA PHE A 20 5.542 -5.237 -5.374 1.00 73.34 H new ATOM 0 HB2 PHE A 20 6.598 -3.048 -3.528 1.00 13.04 H new ATOM 0 HB3 PHE A 20 4.942 -3.218 -4.077 1.00 13.04 H new ATOM 0 HD1 PHE A 20 7.559 -4.801 -1.969 1.00 4.55 H new ATOM 0 HD2 PHE A 20 3.411 -4.620 -2.927 1.00 24.33 H new ATOM 0 HE1 PHE A 20 7.045 -6.165 0.005 1.00 20.14 H new ATOM 0 HE2 PHE A 20 2.898 -5.979 -0.948 1.00 43.14 H new ATOM 0 HZ PHE A 20 4.712 -6.748 0.524 1.00 33.53 H new ATOM 326 N GLU A 21 5.641 -3.069 -6.825 1.00 43.31 N ATOM 327 CA GLU A 21 5.795 -1.986 -7.792 1.00 21.13 C ATOM 328 C GLU A 21 4.833 -0.852 -7.436 1.00 34.35 C ATOM 329 O GLU A 21 3.688 -1.101 -7.043 1.00 4.41 O ATOM 330 CB GLU A 21 5.531 -2.491 -9.224 1.00 54.41 C ATOM 331 CG GLU A 21 4.111 -3.004 -9.454 1.00 33.42 C ATOM 332 CD GLU A 21 3.887 -3.535 -10.863 1.00 24.23 C ATOM 333 OE1 GLU A 21 4.070 -2.767 -11.828 1.00 23.30 O ATOM 334 OE2 GLU A 21 3.520 -4.720 -11.012 1.00 11.11 O ATOM 0 H GLU A 21 4.684 -3.411 -6.732 1.00 43.31 H new ATOM 0 HA GLU A 21 6.819 -1.615 -7.754 1.00 21.13 H new ATOM 0 HB2 GLU A 21 5.731 -1.681 -9.926 1.00 54.41 H new ATOM 0 HB3 GLU A 21 6.236 -3.291 -9.451 1.00 54.41 H new ATOM 0 HG2 GLU A 21 3.897 -3.795 -8.736 1.00 33.42 H new ATOM 0 HG3 GLU A 21 3.404 -2.197 -9.260 1.00 33.42 H new ATOM 341 N LEU A 22 5.300 0.391 -7.540 1.00 51.44 N ATOM 342 CA LEU A 22 4.461 1.547 -7.233 1.00 12.43 C ATOM 343 C LEU A 22 3.564 1.873 -8.426 1.00 53.25 C ATOM 344 O LEU A 22 4.003 2.490 -9.401 1.00 15.41 O ATOM 345 CB LEU A 22 5.328 2.760 -6.857 1.00 5.23 C ATOM 346 CG LEU A 22 4.552 4.030 -6.449 1.00 65.22 C ATOM 347 CD1 LEU A 22 3.678 3.769 -5.223 1.00 55.13 C ATOM 348 CD2 LEU A 22 5.511 5.190 -6.188 1.00 13.13 C ATOM 0 H LEU A 22 6.249 0.622 -7.833 1.00 51.44 H new ATOM 0 HA LEU A 22 3.830 1.305 -6.378 1.00 12.43 H new ATOM 0 HB2 LEU A 22 5.983 2.475 -6.034 1.00 5.23 H new ATOM 0 HB3 LEU A 22 5.969 3.003 -7.705 1.00 5.23 H new ATOM 0 HG LEU A 22 3.899 4.304 -7.278 1.00 65.22 H new ATOM 0 HD11 LEU A 22 3.142 4.680 -4.957 1.00 55.13 H new ATOM 0 HD12 LEU A 22 2.961 2.980 -5.449 1.00 55.13 H new ATOM 0 HD13 LEU A 22 4.306 3.461 -4.387 1.00 55.13 H new ATOM 0 HD21 LEU A 22 4.942 6.075 -5.902 1.00 13.13 H new ATOM 0 HD22 LEU A 22 6.195 4.922 -5.383 1.00 13.13 H new ATOM 0 HD23 LEU A 22 6.081 5.402 -7.093 1.00 13.13 H new ATOM 360 N VAL A 23 2.307 1.446 -8.345 1.00 40.33 N ATOM 361 CA VAL A 23 1.365 1.624 -9.450 1.00 73.54 C ATOM 362 C VAL A 23 0.626 2.955 -9.350 1.00 52.53 C ATOM 363 O VAL A 23 0.001 3.391 -10.320 1.00 60.34 O ATOM 364 CB VAL A 23 0.340 0.465 -9.535 1.00 45.35 C ATOM 365 CG1 VAL A 23 1.046 -0.849 -9.852 1.00 25.21 C ATOM 366 CG2 VAL A 23 -0.468 0.349 -8.246 1.00 31.34 C ATOM 0 H VAL A 23 1.916 0.975 -7.529 1.00 40.33 H new ATOM 0 HA VAL A 23 1.962 1.621 -10.362 1.00 73.54 H new ATOM 0 HB VAL A 23 -0.356 0.687 -10.344 1.00 45.35 H new ATOM 0 HG11 VAL A 23 0.311 -1.652 -9.908 1.00 25.21 H new ATOM 0 HG12 VAL A 23 1.563 -0.763 -10.808 1.00 25.21 H new ATOM 0 HG13 VAL A 23 1.769 -1.072 -9.067 1.00 25.21 H new ATOM 0 HG21 VAL A 23 -1.179 -0.472 -8.335 1.00 31.34 H new ATOM 0 HG22 VAL A 23 0.205 0.157 -7.411 1.00 31.34 H new ATOM 0 HG23 VAL A 23 -1.008 1.279 -8.070 1.00 31.34 H new ATOM 376 N HIS A 24 0.687 3.602 -8.183 1.00 43.51 N ATOM 377 CA HIS A 24 0.080 4.920 -8.019 1.00 32.33 C ATOM 378 C HIS A 24 0.604 5.629 -6.775 1.00 32.15 C ATOM 379 O HIS A 24 0.667 5.044 -5.692 1.00 3.11 O ATOM 380 CB HIS A 24 -1.449 4.810 -7.940 1.00 73.42 C ATOM 381 CG HIS A 24 -2.148 6.141 -7.919 1.00 73.50 C ATOM 382 ND1 HIS A 24 -1.840 7.169 -8.784 1.00 21.24 N ATOM 383 CD2 HIS A 24 -3.140 6.613 -7.124 1.00 12.11 C ATOM 384 CE1 HIS A 24 -2.606 8.211 -8.523 1.00 3.04 C ATOM 385 NE2 HIS A 24 -3.405 7.900 -7.520 1.00 12.01 N ATOM 0 H HIS A 24 1.146 3.238 -7.348 1.00 43.51 H new ATOM 0 HA HIS A 24 0.354 5.510 -8.894 1.00 32.33 H new ATOM 0 HB2 HIS A 24 -1.808 4.234 -8.793 1.00 73.42 H new ATOM 0 HB3 HIS A 24 -1.719 4.253 -7.043 1.00 73.42 H new ATOM 0 HD2 HIS A 24 -3.631 6.075 -6.326 1.00 12.11 H new ATOM 0 HE1 HIS A 24 -2.583 9.158 -9.042 1.00 3.04 H new ATOM 0 HE2 HIS A 24 -4.105 8.516 -7.106 1.00 12.01 H new ATOM 394 N ASN A 25 0.970 6.892 -6.947 1.00 41.23 N ATOM 395 CA ASN A 25 1.356 7.759 -5.835 1.00 24.42 C ATOM 396 C ASN A 25 0.455 8.988 -5.856 1.00 65.04 C ATOM 397 O ASN A 25 0.245 9.584 -6.917 1.00 61.23 O ATOM 398 CB ASN A 25 2.830 8.178 -5.960 1.00 24.43 C ATOM 399 CG ASN A 25 3.383 8.819 -4.690 1.00 30.24 C ATOM 400 OD1 ASN A 25 2.645 9.377 -3.876 1.00 35.34 O ATOM 401 ND2 ASN A 25 4.696 8.755 -4.521 1.00 42.13 N ATOM 0 H ASN A 25 1.009 7.347 -7.859 1.00 41.23 H new ATOM 0 HA ASN A 25 1.242 7.224 -4.892 1.00 24.42 H new ATOM 0 HB2 ASN A 25 3.430 7.303 -6.208 1.00 24.43 H new ATOM 0 HB3 ASN A 25 2.933 8.880 -6.788 1.00 24.43 H new ATOM 0 HD21 ASN A 25 5.125 9.176 -3.697 1.00 42.13 H new ATOM 0 HD22 ASN A 25 5.277 8.285 -5.215 1.00 42.13 H new ATOM 408 N PHE A 26 -0.091 9.353 -4.706 1.00 51.11 N ATOM 409 CA PHE A 26 -1.052 10.449 -4.622 1.00 60.44 C ATOM 410 C PHE A 26 -0.551 11.508 -3.646 1.00 4.52 C ATOM 411 O PHE A 26 -0.487 11.261 -2.442 1.00 53.41 O ATOM 412 CB PHE A 26 -2.415 9.896 -4.178 1.00 4.10 C ATOM 413 CG PHE A 26 -3.541 10.902 -4.187 1.00 54.32 C ATOM 414 CD1 PHE A 26 -4.159 11.256 -5.377 1.00 3.11 C ATOM 415 CD2 PHE A 26 -3.996 11.475 -3.007 1.00 72.30 C ATOM 416 CE1 PHE A 26 -5.202 12.162 -5.391 1.00 62.13 C ATOM 417 CE2 PHE A 26 -5.044 12.378 -3.016 1.00 5.54 C ATOM 418 CZ PHE A 26 -5.647 12.721 -4.209 1.00 31.35 C ATOM 0 H PHE A 26 0.114 8.906 -3.813 1.00 51.11 H new ATOM 0 HA PHE A 26 -1.164 10.916 -5.600 1.00 60.44 H new ATOM 0 HB2 PHE A 26 -2.684 9.065 -4.830 1.00 4.10 H new ATOM 0 HB3 PHE A 26 -2.316 9.491 -3.171 1.00 4.10 H new ATOM 0 HD1 PHE A 26 -3.821 10.818 -6.304 1.00 3.11 H new ATOM 0 HD2 PHE A 26 -3.526 11.213 -2.071 1.00 72.30 H new ATOM 0 HE1 PHE A 26 -5.669 12.433 -6.326 1.00 62.13 H new ATOM 0 HE2 PHE A 26 -5.390 12.814 -2.090 1.00 5.54 H new ATOM 0 HZ PHE A 26 -6.466 13.425 -4.218 1.00 31.35 H new ATOM 428 N LYS A 27 -0.170 12.668 -4.184 1.00 60.30 N ATOM 429 CA LYS A 27 0.288 13.806 -3.382 1.00 52.45 C ATOM 430 C LYS A 27 1.449 13.411 -2.471 1.00 74.53 C ATOM 431 O LYS A 27 1.399 13.632 -1.258 1.00 10.23 O ATOM 432 CB LYS A 27 -0.867 14.398 -2.545 1.00 30.55 C ATOM 433 CG LYS A 27 -1.845 15.267 -3.335 1.00 54.52 C ATOM 434 CD LYS A 27 -2.506 14.496 -4.472 1.00 61.13 C ATOM 435 CE LYS A 27 -3.528 15.343 -5.220 1.00 11.23 C ATOM 436 NZ LYS A 27 -2.924 16.573 -5.798 1.00 3.20 N ATOM 0 H LYS A 27 -0.170 12.846 -5.188 1.00 60.30 H new ATOM 0 HA LYS A 27 0.640 14.570 -4.075 1.00 52.45 H new ATOM 0 HB2 LYS A 27 -1.420 13.580 -2.083 1.00 30.55 H new ATOM 0 HB3 LYS A 27 -0.444 14.994 -1.736 1.00 30.55 H new ATOM 0 HG2 LYS A 27 -2.613 15.651 -2.663 1.00 54.52 H new ATOM 0 HG3 LYS A 27 -1.317 16.130 -3.741 1.00 54.52 H new ATOM 0 HD2 LYS A 27 -1.742 14.152 -5.169 1.00 61.13 H new ATOM 0 HD3 LYS A 27 -2.995 13.608 -4.071 1.00 61.13 H new ATOM 0 HE2 LYS A 27 -3.974 14.750 -6.018 1.00 11.23 H new ATOM 0 HE3 LYS A 27 -4.334 15.621 -4.541 1.00 11.23 H new ATOM 0 HZ1 LYS A 27 -3.614 17.038 -6.422 1.00 3.20 H new ATOM 0 HZ2 LYS A 27 -2.658 17.223 -5.031 1.00 3.20 H new ATOM 0 HZ3 LYS A 27 -2.077 16.319 -6.346 1.00 3.20 H new ATOM 450 N ASP A 28 2.492 12.822 -3.062 1.00 22.20 N ATOM 451 CA ASP A 28 3.687 12.420 -2.311 1.00 73.03 C ATOM 452 C ASP A 28 3.317 11.439 -1.202 1.00 55.52 C ATOM 453 O ASP A 28 4.002 11.349 -0.179 1.00 43.15 O ATOM 454 CB ASP A 28 4.387 13.650 -1.703 1.00 4.30 C ATOM 455 CG ASP A 28 4.954 14.598 -2.747 1.00 60.45 C ATOM 456 OD1 ASP A 28 4.180 15.397 -3.322 1.00 64.54 O ATOM 457 OD2 ASP A 28 6.178 14.559 -2.987 1.00 34.45 O ATOM 0 H ASP A 28 2.534 12.612 -4.059 1.00 22.20 H new ATOM 0 HA ASP A 28 4.372 11.931 -3.004 1.00 73.03 H new ATOM 0 HB2 ASP A 28 3.677 14.192 -1.079 1.00 4.30 H new ATOM 0 HB3 ASP A 28 5.194 13.315 -1.051 1.00 4.30 H new ATOM 462 N GLY A 29 2.232 10.704 -1.420 1.00 40.44 N ATOM 463 CA GLY A 29 1.728 9.783 -0.421 1.00 2.35 C ATOM 464 C GLY A 29 2.704 8.668 -0.108 1.00 53.11 C ATOM 465 O GLY A 29 2.849 8.266 1.048 1.00 13.24 O ATOM 0 H GLY A 29 1.688 10.732 -2.282 1.00 40.44 H new ATOM 0 HA2 GLY A 29 1.505 10.332 0.494 1.00 2.35 H new ATOM 0 HA3 GLY A 29 0.790 9.352 -0.771 1.00 2.35 H new ATOM 469 N PHE A 30 3.384 8.168 -1.132 1.00 75.23 N ATOM 470 CA PHE A 30 4.299 7.051 -0.948 1.00 61.21 C ATOM 471 C PHE A 30 5.580 7.488 -0.245 1.00 24.22 C ATOM 472 O PHE A 30 6.510 7.997 -0.871 1.00 52.13 O ATOM 473 CB PHE A 30 4.637 6.364 -2.277 1.00 63.40 C ATOM 474 CG PHE A 30 5.590 5.210 -2.099 1.00 10.10 C ATOM 475 CD1 PHE A 30 5.211 4.095 -1.362 1.00 31.31 C ATOM 476 CD2 PHE A 30 6.869 5.249 -2.637 1.00 22.24 C ATOM 477 CE1 PHE A 30 6.084 3.045 -1.169 1.00 74.44 C ATOM 478 CE2 PHE A 30 7.747 4.202 -2.442 1.00 53.14 C ATOM 479 CZ PHE A 30 7.353 3.098 -1.708 1.00 42.12 C ATOM 0 H PHE A 30 3.320 8.515 -2.089 1.00 75.23 H new ATOM 0 HA PHE A 30 3.785 6.329 -0.314 1.00 61.21 H new ATOM 0 HB2 PHE A 30 3.719 6.005 -2.742 1.00 63.40 H new ATOM 0 HB3 PHE A 30 5.076 7.093 -2.959 1.00 63.40 H new ATOM 0 HD1 PHE A 30 4.220 4.050 -0.935 1.00 31.31 H new ATOM 0 HD2 PHE A 30 7.180 6.107 -3.214 1.00 22.24 H new ATOM 0 HE1 PHE A 30 5.775 2.183 -0.597 1.00 74.44 H new ATOM 0 HE2 PHE A 30 8.741 4.245 -2.862 1.00 53.14 H new ATOM 0 HZ PHE A 30 8.039 2.277 -1.557 1.00 42.12 H new ATOM 489 N ASN A 31 5.598 7.323 1.070 1.00 31.44 N ATOM 490 CA ASN A 31 6.815 7.475 1.864 1.00 35.54 C ATOM 491 C ASN A 31 7.249 6.098 2.347 1.00 3.45 C ATOM 492 O ASN A 31 6.544 5.477 3.147 1.00 32.55 O ATOM 493 CB ASN A 31 6.593 8.398 3.079 1.00 41.45 C ATOM 494 CG ASN A 31 6.347 9.859 2.717 1.00 61.52 C ATOM 495 OD1 ASN A 31 6.774 10.764 3.434 1.00 21.10 O ATOM 496 ND2 ASN A 31 5.627 10.104 1.632 1.00 31.42 N ATOM 0 H ASN A 31 4.773 7.080 1.618 1.00 31.44 H new ATOM 0 HA ASN A 31 7.584 7.930 1.240 1.00 35.54 H new ATOM 0 HB2 ASN A 31 5.742 8.029 3.651 1.00 41.45 H new ATOM 0 HB3 ASN A 31 7.465 8.339 3.731 1.00 41.45 H new ATOM 0 HD21 ASN A 31 5.411 11.066 1.369 1.00 31.42 H new ATOM 0 HD22 ASN A 31 5.288 9.331 1.059 1.00 31.42 H new ATOM 503 N GLU A 32 8.390 5.612 1.858 1.00 23.41 N ATOM 504 CA GLU A 32 8.869 4.277 2.221 1.00 45.42 C ATOM 505 C GLU A 32 9.020 4.172 3.733 1.00 74.05 C ATOM 506 O GLU A 32 8.647 3.168 4.335 1.00 54.34 O ATOM 507 CB GLU A 32 10.215 3.960 1.549 1.00 12.52 C ATOM 508 CG GLU A 32 10.683 2.524 1.791 1.00 71.33 C ATOM 509 CD GLU A 32 12.146 2.297 1.439 1.00 70.42 C ATOM 510 OE1 GLU A 32 12.487 2.324 0.239 1.00 64.15 O ATOM 511 OE2 GLU A 32 12.960 2.085 2.363 1.00 10.44 O ATOM 0 H GLU A 32 8.997 6.119 1.213 1.00 23.41 H new ATOM 0 HA GLU A 32 8.133 3.553 1.871 1.00 45.42 H new ATOM 0 HB2 GLU A 32 10.128 4.131 0.476 1.00 12.52 H new ATOM 0 HB3 GLU A 32 10.972 4.650 1.922 1.00 12.52 H new ATOM 0 HG2 GLU A 32 10.526 2.270 2.839 1.00 71.33 H new ATOM 0 HG3 GLU A 32 10.066 1.845 1.203 1.00 71.33 H new ATOM 518 N GLU A 33 9.554 5.238 4.329 1.00 71.21 N ATOM 519 CA GLU A 33 9.781 5.311 5.772 1.00 44.13 C ATOM 520 C GLU A 33 8.507 4.975 6.551 1.00 23.34 C ATOM 521 O GLU A 33 8.540 4.210 7.517 1.00 23.54 O ATOM 522 CB GLU A 33 10.280 6.717 6.139 1.00 25.44 C ATOM 523 CG GLU A 33 9.359 7.842 5.668 1.00 61.12 C ATOM 524 CD GLU A 33 9.923 9.224 5.948 1.00 74.32 C ATOM 525 OE1 GLU A 33 10.650 9.761 5.083 1.00 13.44 O ATOM 526 OE2 GLU A 33 9.640 9.783 7.025 1.00 64.33 O ATOM 0 H GLU A 33 9.842 6.076 3.824 1.00 71.21 H new ATOM 0 HA GLU A 33 10.537 4.575 6.044 1.00 44.13 H new ATOM 0 HB2 GLU A 33 10.392 6.781 7.221 1.00 25.44 H new ATOM 0 HB3 GLU A 33 11.270 6.865 5.707 1.00 25.44 H new ATOM 0 HG2 GLU A 33 9.184 7.737 4.597 1.00 61.12 H new ATOM 0 HG3 GLU A 33 8.392 7.743 6.161 1.00 61.12 H new ATOM 533 N ALA A 34 7.386 5.527 6.107 1.00 21.51 N ATOM 534 CA ALA A 34 6.107 5.306 6.763 1.00 5.11 C ATOM 535 C ALA A 34 5.540 3.939 6.383 1.00 4.13 C ATOM 536 O ALA A 34 4.975 3.233 7.220 1.00 24.41 O ATOM 537 CB ALA A 34 5.135 6.420 6.397 1.00 42.42 C ATOM 0 H ALA A 34 7.338 6.135 5.289 1.00 21.51 H new ATOM 0 HA ALA A 34 6.256 5.319 7.843 1.00 5.11 H new ATOM 0 HB1 ALA A 34 4.180 6.247 6.892 1.00 42.42 H new ATOM 0 HB2 ALA A 34 5.542 7.378 6.719 1.00 42.42 H new ATOM 0 HB3 ALA A 34 4.987 6.433 5.317 1.00 42.42 H new ATOM 543 N PHE A 35 5.719 3.568 5.118 1.00 74.12 N ATOM 544 CA PHE A 35 5.240 2.289 4.599 1.00 23.22 C ATOM 545 C PHE A 35 5.830 1.124 5.391 1.00 41.51 C ATOM 546 O PHE A 35 5.102 0.335 5.989 1.00 14.24 O ATOM 547 CB PHE A 35 5.599 2.156 3.108 1.00 4.34 C ATOM 548 CG PHE A 35 5.356 0.778 2.535 1.00 54.31 C ATOM 549 CD1 PHE A 35 4.066 0.327 2.294 1.00 34.04 C ATOM 550 CD2 PHE A 35 6.421 -0.064 2.240 1.00 64.14 C ATOM 551 CE1 PHE A 35 3.844 -0.933 1.772 1.00 41.22 C ATOM 552 CE2 PHE A 35 6.203 -1.324 1.718 1.00 25.11 C ATOM 553 CZ PHE A 35 4.912 -1.760 1.485 1.00 52.22 C ATOM 0 H PHE A 35 6.199 4.143 4.425 1.00 74.12 H new ATOM 0 HA PHE A 35 4.156 2.259 4.707 1.00 23.22 H new ATOM 0 HB2 PHE A 35 5.018 2.882 2.539 1.00 4.34 H new ATOM 0 HB3 PHE A 35 6.650 2.413 2.974 1.00 4.34 H new ATOM 0 HD1 PHE A 35 3.226 0.968 2.517 1.00 34.04 H new ATOM 0 HD2 PHE A 35 7.432 0.271 2.421 1.00 64.14 H new ATOM 0 HE1 PHE A 35 2.835 -1.271 1.588 1.00 41.22 H new ATOM 0 HE2 PHE A 35 7.040 -1.968 1.492 1.00 25.11 H new ATOM 0 HZ PHE A 35 4.739 -2.746 1.079 1.00 52.22 H new ATOM 563 N LYS A 36 7.155 1.044 5.408 1.00 33.13 N ATOM 564 CA LYS A 36 7.866 -0.057 6.053 1.00 41.11 C ATOM 565 C LYS A 36 7.610 -0.078 7.562 1.00 5.14 C ATOM 566 O LYS A 36 7.715 -1.128 8.204 1.00 64.13 O ATOM 567 CB LYS A 36 9.372 0.050 5.754 1.00 65.34 C ATOM 568 CG LYS A 36 10.037 1.308 6.313 1.00 32.43 C ATOM 569 CD LYS A 36 11.324 1.657 5.565 1.00 70.23 C ATOM 570 CE LYS A 36 12.356 0.538 5.625 1.00 10.04 C ATOM 571 NZ LYS A 36 13.553 0.850 4.800 1.00 31.31 N ATOM 0 H LYS A 36 7.767 1.737 4.977 1.00 33.13 H new ATOM 0 HA LYS A 36 7.490 -0.996 5.647 1.00 41.11 H new ATOM 0 HB2 LYS A 36 9.875 -0.826 6.164 1.00 65.34 H new ATOM 0 HB3 LYS A 36 9.519 0.025 4.674 1.00 65.34 H new ATOM 0 HG2 LYS A 36 9.342 2.145 6.248 1.00 32.43 H new ATOM 0 HG3 LYS A 36 10.260 1.161 7.370 1.00 32.43 H new ATOM 0 HD2 LYS A 36 11.088 1.873 4.523 1.00 70.23 H new ATOM 0 HD3 LYS A 36 11.752 2.565 5.990 1.00 70.23 H new ATOM 0 HE2 LYS A 36 12.659 0.377 6.660 1.00 10.04 H new ATOM 0 HE3 LYS A 36 11.906 -0.391 5.276 1.00 10.04 H new ATOM 0 HZ1 LYS A 36 14.065 -0.029 4.585 1.00 31.31 H new ATOM 0 HZ2 LYS A 36 13.255 1.303 3.913 1.00 31.31 H new ATOM 0 HZ3 LYS A 36 14.178 1.495 5.325 1.00 31.31 H new ATOM 585 N ALA A 37 7.257 1.079 8.117 1.00 73.12 N ATOM 586 CA ALA A 37 6.982 1.200 9.546 1.00 31.23 C ATOM 587 C ALA A 37 5.563 0.731 9.878 1.00 34.22 C ATOM 588 O ALA A 37 5.290 0.295 10.997 1.00 15.42 O ATOM 589 CB ALA A 37 7.190 2.641 10.002 1.00 10.23 C ATOM 0 H ALA A 37 7.154 1.950 7.596 1.00 73.12 H new ATOM 0 HA ALA A 37 7.680 0.557 10.082 1.00 31.23 H new ATOM 0 HB1 ALA A 37 6.982 2.719 11.069 1.00 10.23 H new ATOM 0 HB2 ALA A 37 8.221 2.938 9.811 1.00 10.23 H new ATOM 0 HB3 ALA A 37 6.516 3.298 9.452 1.00 10.23 H new ATOM 595 N ARG A 38 4.663 0.829 8.899 1.00 21.24 N ATOM 596 CA ARG A 38 3.264 0.436 9.091 1.00 52.13 C ATOM 597 C ARG A 38 3.001 -0.963 8.528 1.00 44.13 C ATOM 598 O ARG A 38 2.034 -1.623 8.913 1.00 62.23 O ATOM 599 CB ARG A 38 2.321 1.436 8.399 1.00 52.22 C ATOM 600 CG ARG A 38 2.380 2.862 8.941 1.00 3.22 C ATOM 601 CD ARG A 38 1.920 2.947 10.391 1.00 21.13 C ATOM 602 NE ARG A 38 1.744 4.337 10.828 1.00 33.41 N ATOM 603 CZ ARG A 38 2.067 4.793 12.042 1.00 4.34 C ATOM 604 NH1 ARG A 38 2.637 3.987 12.932 1.00 11.23 N ATOM 605 NH2 ARG A 38 1.844 6.065 12.358 1.00 14.31 N ATOM 0 H ARG A 38 4.877 1.177 7.964 1.00 21.24 H new ATOM 0 HA ARG A 38 3.072 0.431 10.164 1.00 52.13 H new ATOM 0 HB2 ARG A 38 2.557 1.458 7.335 1.00 52.22 H new ATOM 0 HB3 ARG A 38 1.298 1.071 8.491 1.00 52.22 H new ATOM 0 HG2 ARG A 38 3.401 3.236 8.863 1.00 3.22 H new ATOM 0 HG3 ARG A 38 1.755 3.509 8.325 1.00 3.22 H new ATOM 0 HD2 ARG A 38 0.979 2.408 10.506 1.00 21.13 H new ATOM 0 HD3 ARG A 38 2.650 2.454 11.033 1.00 21.13 H new ATOM 0 HE ARG A 38 1.349 4.999 10.161 1.00 33.41 H new ATOM 0 HH11 ARG A 38 2.830 3.015 12.690 1.00 11.23 H new ATOM 0 HH12 ARG A 38 2.881 4.340 13.857 1.00 11.23 H new ATOM 0 HH21 ARG A 38 1.426 6.695 11.673 1.00 14.31 H new ATOM 0 HH22 ARG A 38 2.091 6.411 13.285 1.00 14.31 H new ATOM 619 N TYR A 39 3.859 -1.402 7.610 1.00 4.51 N ATOM 620 CA TYR A 39 3.636 -2.642 6.870 1.00 20.24 C ATOM 621 C TYR A 39 3.642 -3.866 7.785 1.00 71.04 C ATOM 622 O TYR A 39 4.545 -4.042 8.608 1.00 23.04 O ATOM 623 CB TYR A 39 4.688 -2.808 5.763 1.00 73.53 C ATOM 624 CG TYR A 39 4.452 -4.026 4.883 1.00 64.01 C ATOM 625 CD1 TYR A 39 3.387 -4.058 3.986 1.00 21.20 C ATOM 626 CD2 TYR A 39 5.284 -5.141 4.952 1.00 43.02 C ATOM 627 CE1 TYR A 39 3.161 -5.163 3.187 1.00 32.40 C ATOM 628 CE2 TYR A 39 5.062 -6.248 4.155 1.00 41.11 C ATOM 629 CZ TYR A 39 4.001 -6.253 3.274 1.00 64.13 C ATOM 630 OH TYR A 39 3.774 -7.352 2.480 1.00 34.15 O ATOM 0 H TYR A 39 4.719 -0.915 7.360 1.00 4.51 H new ATOM 0 HA TYR A 39 2.647 -2.571 6.418 1.00 20.24 H new ATOM 0 HB2 TYR A 39 4.693 -1.914 5.139 1.00 73.53 H new ATOM 0 HB3 TYR A 39 5.675 -2.884 6.219 1.00 73.53 H new ATOM 0 HD1 TYR A 39 2.727 -3.206 3.914 1.00 21.20 H new ATOM 0 HD2 TYR A 39 6.117 -5.140 5.640 1.00 43.02 H new ATOM 0 HE1 TYR A 39 2.330 -5.173 2.497 1.00 32.40 H new ATOM 0 HE2 TYR A 39 5.716 -7.105 4.222 1.00 41.11 H new ATOM 0 HH TYR A 39 4.455 -8.033 2.661 1.00 34.15 H new ATOM 640 N SER A 40 2.627 -4.708 7.617 1.00 41.13 N ATOM 641 CA SER A 40 2.499 -5.955 8.363 1.00 63.25 C ATOM 642 C SER A 40 2.370 -7.132 7.398 1.00 62.51 C ATOM 643 O SER A 40 1.950 -6.961 6.249 1.00 2.50 O ATOM 644 CB SER A 40 1.279 -5.894 9.291 1.00 51.10 C ATOM 645 OG SER A 40 1.037 -7.151 9.902 1.00 72.41 O ATOM 0 H SER A 40 1.867 -4.544 6.957 1.00 41.13 H new ATOM 0 HA SER A 40 3.393 -6.095 8.971 1.00 63.25 H new ATOM 0 HB2 SER A 40 1.441 -5.138 10.059 1.00 51.10 H new ATOM 0 HB3 SER A 40 0.401 -5.588 8.722 1.00 51.10 H new ATOM 0 HG SER A 40 0.255 -7.084 10.489 1.00 72.41 H new ATOM 651 N ASP A 41 2.717 -8.324 7.874 1.00 31.15 N ATOM 652 CA ASP A 41 2.696 -9.532 7.046 1.00 51.53 C ATOM 653 C ASP A 41 1.261 -9.973 6.750 1.00 5.02 C ATOM 654 O ASP A 41 1.023 -10.757 5.830 1.00 10.03 O ATOM 655 CB ASP A 41 3.461 -10.673 7.729 1.00 45.11 C ATOM 656 CG ASP A 41 4.929 -10.343 7.958 1.00 52.52 C ATOM 657 OD1 ASP A 41 5.757 -10.603 7.059 1.00 33.53 O ATOM 658 OD2 ASP A 41 5.262 -9.824 9.047 1.00 41.05 O ATOM 0 H ASP A 41 3.019 -8.483 8.835 1.00 31.15 H new ATOM 0 HA ASP A 41 3.187 -9.293 6.103 1.00 51.53 H new ATOM 0 HB2 ASP A 41 2.990 -10.899 8.686 1.00 45.11 H new ATOM 0 HB3 ASP A 41 3.386 -11.572 7.117 1.00 45.11 H new ATOM 663 N ILE A 42 0.308 -9.461 7.529 1.00 51.52 N ATOM 664 CA ILE A 42 -1.111 -9.761 7.315 1.00 43.15 C ATOM 665 C ILE A 42 -1.545 -9.323 5.912 1.00 41.12 C ATOM 666 O ILE A 42 -2.439 -9.915 5.306 1.00 31.01 O ATOM 667 CB ILE A 42 -2.003 -9.063 8.380 1.00 71.41 C ATOM 668 CG1 ILE A 42 -3.496 -9.400 8.177 1.00 32.21 C ATOM 669 CG2 ILE A 42 -1.793 -7.550 8.365 1.00 14.25 C ATOM 670 CD1 ILE A 42 -3.831 -10.868 8.341 1.00 75.01 C ATOM 0 H ILE A 42 0.491 -8.836 8.314 1.00 51.52 H new ATOM 0 HA ILE A 42 -1.238 -10.839 7.412 1.00 43.15 H new ATOM 0 HB ILE A 42 -1.701 -9.445 9.355 1.00 71.41 H new ATOM 0 HG12 ILE A 42 -4.087 -8.823 8.888 1.00 32.21 H new ATOM 0 HG13 ILE A 42 -3.796 -9.080 7.179 1.00 32.21 H new ATOM 0 HG21 ILE A 42 -2.429 -7.087 9.119 1.00 14.25 H new ATOM 0 HG22 ILE A 42 -0.749 -7.325 8.583 1.00 14.25 H new ATOM 0 HG23 ILE A 42 -2.051 -7.157 7.382 1.00 14.25 H new ATOM 0 HD11 ILE A 42 -4.899 -11.017 8.182 1.00 75.01 H new ATOM 0 HD12 ILE A 42 -3.270 -11.453 7.612 1.00 75.01 H new ATOM 0 HD13 ILE A 42 -3.565 -11.192 9.347 1.00 75.01 H new ATOM 682 N LEU A 43 -0.872 -8.298 5.396 1.00 20.22 N ATOM 683 CA LEU A 43 -1.217 -7.706 4.108 1.00 21.35 C ATOM 684 C LEU A 43 -0.628 -8.513 2.946 1.00 42.21 C ATOM 685 O LEU A 43 -1.033 -8.347 1.795 1.00 22.22 O ATOM 686 CB LEU A 43 -0.716 -6.256 4.055 1.00 30.40 C ATOM 687 CG LEU A 43 -1.202 -5.350 5.197 1.00 33.05 C ATOM 688 CD1 LEU A 43 -0.580 -3.962 5.082 1.00 65.15 C ATOM 689 CD2 LEU A 43 -2.729 -5.264 5.210 1.00 51.43 C ATOM 0 H LEU A 43 -0.076 -7.857 5.857 1.00 20.22 H new ATOM 0 HA LEU A 43 -2.302 -7.720 4.005 1.00 21.35 H new ATOM 0 HB2 LEU A 43 0.374 -6.265 4.060 1.00 30.40 H new ATOM 0 HB3 LEU A 43 -1.027 -5.816 3.107 1.00 30.40 H new ATOM 0 HG LEU A 43 -0.882 -5.789 6.142 1.00 33.05 H new ATOM 0 HD11 LEU A 43 -0.936 -3.335 5.899 1.00 65.15 H new ATOM 0 HD12 LEU A 43 0.506 -4.044 5.134 1.00 65.15 H new ATOM 0 HD13 LEU A 43 -0.864 -3.514 4.130 1.00 65.15 H new ATOM 0 HD21 LEU A 43 -3.050 -4.617 6.027 1.00 51.43 H new ATOM 0 HD22 LEU A 43 -3.078 -4.853 4.263 1.00 51.43 H new ATOM 0 HD23 LEU A 43 -3.148 -6.260 5.350 1.00 51.43 H new ATOM 701 N ASN A 44 0.305 -9.406 3.266 1.00 13.41 N ATOM 702 CA ASN A 44 1.032 -10.186 2.258 1.00 64.03 C ATOM 703 C ASN A 44 0.079 -11.044 1.418 1.00 21.10 C ATOM 704 O ASN A 44 0.296 -11.246 0.224 1.00 25.31 O ATOM 705 CB ASN A 44 2.074 -11.083 2.943 1.00 75.22 C ATOM 706 CG ASN A 44 2.929 -11.882 1.965 1.00 54.52 C ATOM 707 OD1 ASN A 44 3.222 -11.432 0.859 1.00 61.12 O ATOM 708 ND2 ASN A 44 3.337 -13.073 2.374 1.00 55.24 N ATOM 0 H ASN A 44 0.580 -9.612 4.226 1.00 13.41 H new ATOM 0 HA ASN A 44 1.534 -9.486 1.589 1.00 64.03 H new ATOM 0 HB2 ASN A 44 2.725 -10.464 3.560 1.00 75.22 H new ATOM 0 HB3 ASN A 44 1.562 -11.774 3.613 1.00 75.22 H new ATOM 0 HD21 ASN A 44 3.915 -13.651 1.764 1.00 55.24 H new ATOM 0 HD22 ASN A 44 3.073 -13.412 3.299 1.00 55.24 H new ATOM 715 N LYS A 45 -0.992 -11.523 2.048 1.00 20.44 N ATOM 716 CA LYS A 45 -1.931 -12.444 1.394 1.00 2.23 C ATOM 717 C LYS A 45 -2.824 -11.726 0.378 1.00 14.04 C ATOM 718 O LYS A 45 -3.537 -12.376 -0.394 1.00 23.10 O ATOM 719 CB LYS A 45 -2.814 -13.135 2.442 1.00 21.33 C ATOM 720 CG LYS A 45 -3.786 -12.194 3.149 1.00 31.30 C ATOM 721 CD LYS A 45 -4.725 -12.928 4.106 1.00 42.54 C ATOM 722 CE LYS A 45 -4.042 -13.331 5.414 1.00 44.42 C ATOM 723 NZ LYS A 45 -2.959 -14.336 5.227 1.00 40.50 N ATOM 0 H LYS A 45 -1.235 -11.291 3.011 1.00 20.44 H new ATOM 0 HA LYS A 45 -1.335 -13.185 0.861 1.00 2.23 H new ATOM 0 HB2 LYS A 45 -3.381 -13.930 1.958 1.00 21.33 H new ATOM 0 HB3 LYS A 45 -2.174 -13.608 3.187 1.00 21.33 H new ATOM 0 HG2 LYS A 45 -3.221 -11.444 3.704 1.00 31.30 H new ATOM 0 HG3 LYS A 45 -4.377 -11.661 2.404 1.00 31.30 H new ATOM 0 HD2 LYS A 45 -5.580 -12.290 4.330 1.00 42.54 H new ATOM 0 HD3 LYS A 45 -5.113 -13.820 3.614 1.00 42.54 H new ATOM 0 HE2 LYS A 45 -3.625 -12.442 5.887 1.00 44.42 H new ATOM 0 HE3 LYS A 45 -4.789 -13.735 6.097 1.00 44.42 H new ATOM 0 HZ1 LYS A 45 -2.919 -14.962 6.057 1.00 40.50 H new ATOM 0 HZ2 LYS A 45 -3.153 -14.902 4.376 1.00 40.50 H new ATOM 0 HZ3 LYS A 45 -2.047 -13.848 5.117 1.00 40.50 H new ATOM 737 N TYR A 46 -2.805 -10.395 0.398 1.00 52.43 N ATOM 738 CA TYR A 46 -3.658 -9.599 -0.487 1.00 45.31 C ATOM 739 C TYR A 46 -2.959 -9.313 -1.815 1.00 53.34 C ATOM 740 O TYR A 46 -3.613 -9.183 -2.849 1.00 15.34 O ATOM 741 CB TYR A 46 -4.048 -8.282 0.195 1.00 64.31 C ATOM 742 CG TYR A 46 -4.890 -8.462 1.449 1.00 34.41 C ATOM 743 CD1 TYR A 46 -6.279 -8.510 1.382 1.00 2.11 C ATOM 744 CD2 TYR A 46 -4.293 -8.577 2.700 1.00 23.22 C ATOM 745 CE1 TYR A 46 -7.046 -8.666 2.523 1.00 12.43 C ATOM 746 CE2 TYR A 46 -5.052 -8.735 3.844 1.00 54.20 C ATOM 747 CZ TYR A 46 -6.427 -8.779 3.751 1.00 72.42 C ATOM 748 OH TYR A 46 -7.183 -8.932 4.891 1.00 70.43 O ATOM 0 H TYR A 46 -2.210 -9.844 1.016 1.00 52.43 H new ATOM 0 HA TYR A 46 -4.560 -10.176 -0.693 1.00 45.31 H new ATOM 0 HB2 TYR A 46 -3.141 -7.736 0.454 1.00 64.31 H new ATOM 0 HB3 TYR A 46 -4.599 -7.666 -0.515 1.00 64.31 H new ATOM 0 HD1 TYR A 46 -6.767 -8.424 0.422 1.00 2.11 H new ATOM 0 HD2 TYR A 46 -3.216 -8.542 2.779 1.00 23.22 H new ATOM 0 HE1 TYR A 46 -8.123 -8.699 2.453 1.00 12.43 H new ATOM 0 HE2 TYR A 46 -4.570 -8.824 4.807 1.00 54.20 H new ATOM 0 HH TYR A 46 -6.591 -8.998 5.670 1.00 70.43 H new ATOM 758 N ASP A 47 -1.629 -9.206 -1.764 1.00 42.44 N ATOM 759 CA ASP A 47 -0.799 -8.917 -2.945 1.00 45.43 C ATOM 760 C ASP A 47 -1.007 -7.485 -3.458 1.00 63.43 C ATOM 761 O ASP A 47 -0.398 -7.077 -4.451 1.00 3.13 O ATOM 762 CB ASP A 47 -1.050 -9.941 -4.074 1.00 2.43 C ATOM 763 CG ASP A 47 -0.447 -11.308 -3.780 1.00 10.40 C ATOM 764 OD1 ASP A 47 0.759 -11.495 -4.037 1.00 41.14 O ATOM 765 OD2 ASP A 47 -1.168 -12.207 -3.299 1.00 34.10 O ATOM 0 H ASP A 47 -1.093 -9.317 -0.903 1.00 42.44 H new ATOM 0 HA ASP A 47 0.240 -9.006 -2.628 1.00 45.43 H new ATOM 0 HB2 ASP A 47 -2.124 -10.049 -4.228 1.00 2.43 H new ATOM 0 HB3 ASP A 47 -0.632 -9.558 -5.005 1.00 2.43 H new ATOM 770 N TYR A 48 -1.853 -6.722 -2.772 1.00 2.03 N ATOM 771 CA TYR A 48 -2.063 -5.307 -3.076 1.00 64.23 C ATOM 772 C TYR A 48 -2.057 -4.510 -1.777 1.00 65.21 C ATOM 773 O TYR A 48 -2.928 -4.696 -0.924 1.00 23.00 O ATOM 774 CB TYR A 48 -3.389 -5.092 -3.824 1.00 51.21 C ATOM 775 CG TYR A 48 -3.437 -5.743 -5.193 1.00 43.02 C ATOM 776 CD1 TYR A 48 -2.959 -5.077 -6.319 1.00 42.34 C ATOM 777 CD2 TYR A 48 -3.954 -7.026 -5.360 1.00 20.23 C ATOM 778 CE1 TYR A 48 -2.998 -5.670 -7.568 1.00 73.34 C ATOM 779 CE2 TYR A 48 -3.995 -7.621 -6.606 1.00 2.51 C ATOM 780 CZ TYR A 48 -3.515 -6.942 -7.705 1.00 62.54 C ATOM 781 OH TYR A 48 -3.554 -7.538 -8.949 1.00 43.22 O ATOM 0 H TYR A 48 -2.412 -7.065 -1.991 1.00 2.03 H new ATOM 0 HA TYR A 48 -1.256 -4.963 -3.723 1.00 64.23 H new ATOM 0 HB2 TYR A 48 -4.205 -5.485 -3.217 1.00 51.21 H new ATOM 0 HB3 TYR A 48 -3.562 -4.022 -3.936 1.00 51.21 H new ATOM 0 HD1 TYR A 48 -2.552 -4.082 -6.215 1.00 42.34 H new ATOM 0 HD2 TYR A 48 -4.329 -7.564 -4.502 1.00 20.23 H new ATOM 0 HE1 TYR A 48 -2.626 -5.140 -8.432 1.00 73.34 H new ATOM 0 HE2 TYR A 48 -4.402 -8.615 -6.719 1.00 2.51 H new ATOM 0 HH TYR A 48 -3.947 -8.433 -8.871 1.00 43.22 H new ATOM 791 N ILE A 49 -1.070 -3.634 -1.626 1.00 71.12 N ATOM 792 CA ILE A 49 -0.891 -2.884 -0.387 1.00 52.21 C ATOM 793 C ILE A 49 -1.170 -1.408 -0.618 1.00 5.54 C ATOM 794 O ILE A 49 -0.449 -0.744 -1.365 1.00 20.11 O ATOM 795 CB ILE A 49 0.550 -3.026 0.167 1.00 73.21 C ATOM 796 CG1 ILE A 49 1.043 -4.478 0.052 1.00 41.41 C ATOM 797 CG2 ILE A 49 0.612 -2.545 1.619 1.00 72.43 C ATOM 798 CD1 ILE A 49 0.210 -5.483 0.819 1.00 24.34 C ATOM 0 H ILE A 49 -0.380 -3.425 -2.347 1.00 71.12 H new ATOM 0 HA ILE A 49 -1.593 -3.296 0.338 1.00 52.21 H new ATOM 0 HB ILE A 49 1.211 -2.400 -0.433 1.00 73.21 H new ATOM 0 HG12 ILE A 49 1.056 -4.762 -1.000 1.00 41.41 H new ATOM 0 HG13 ILE A 49 2.072 -4.529 0.409 1.00 41.41 H new ATOM 0 HG21 ILE A 49 1.630 -2.651 1.994 1.00 72.43 H new ATOM 0 HG22 ILE A 49 0.314 -1.498 1.668 1.00 72.43 H new ATOM 0 HG23 ILE A 49 -0.064 -3.144 2.230 1.00 72.43 H new ATOM 0 HD11 ILE A 49 0.627 -6.481 0.683 1.00 24.34 H new ATOM 0 HD12 ILE A 49 0.217 -5.228 1.879 1.00 24.34 H new ATOM 0 HD13 ILE A 49 -0.815 -5.465 0.448 1.00 24.34 H new ATOM 810 N VAL A 50 -2.217 -0.898 0.008 1.00 3.12 N ATOM 811 CA VAL A 50 -2.542 0.518 -0.073 1.00 44.14 C ATOM 812 C VAL A 50 -2.372 1.160 1.298 1.00 74.01 C ATOM 813 O VAL A 50 -2.562 0.503 2.318 1.00 63.42 O ATOM 814 CB VAL A 50 -3.992 0.740 -0.567 1.00 70.13 C ATOM 815 CG1 VAL A 50 -4.310 2.232 -0.680 1.00 1.45 C ATOM 816 CG2 VAL A 50 -4.215 0.031 -1.902 1.00 41.33 C ATOM 0 H VAL A 50 -2.860 -1.445 0.581 1.00 3.12 H new ATOM 0 HA VAL A 50 -1.863 0.978 -0.791 1.00 44.14 H new ATOM 0 HB VAL A 50 -4.673 0.310 0.167 1.00 70.13 H new ATOM 0 HG11 VAL A 50 -5.335 2.360 -1.029 1.00 1.45 H new ATOM 0 HG12 VAL A 50 -4.198 2.703 0.297 1.00 1.45 H new ATOM 0 HG13 VAL A 50 -3.625 2.697 -1.388 1.00 1.45 H new ATOM 0 HG21 VAL A 50 -5.239 0.197 -2.235 1.00 41.33 H new ATOM 0 HG22 VAL A 50 -3.523 0.428 -2.645 1.00 41.33 H new ATOM 0 HG23 VAL A 50 -4.042 -1.038 -1.779 1.00 41.33 H new ATOM 826 N GLY A 51 -1.992 2.427 1.315 1.00 4.51 N ATOM 827 CA GLY A 51 -1.870 3.157 2.562 1.00 43.12 C ATOM 828 C GLY A 51 -2.409 4.563 2.431 1.00 61.25 C ATOM 829 O GLY A 51 -1.940 5.327 1.582 1.00 21.40 O ATOM 0 H GLY A 51 -1.764 2.968 0.481 1.00 4.51 H new ATOM 0 HA2 GLY A 51 -2.410 2.630 3.349 1.00 43.12 H new ATOM 0 HA3 GLY A 51 -0.823 3.193 2.864 1.00 43.12 H new ATOM 833 N ASP A 52 -3.400 4.902 3.251 1.00 54.24 N ATOM 834 CA ASP A 52 -4.005 6.231 3.232 1.00 50.35 C ATOM 835 C ASP A 52 -3.506 7.048 4.418 1.00 2.52 C ATOM 836 O ASP A 52 -3.353 6.528 5.520 1.00 22.14 O ATOM 837 CB ASP A 52 -5.548 6.143 3.257 1.00 24.20 C ATOM 838 CG ASP A 52 -6.117 5.718 4.612 1.00 75.12 C ATOM 839 OD1 ASP A 52 -6.242 4.497 4.858 1.00 74.13 O ATOM 840 OD2 ASP A 52 -6.463 6.609 5.421 1.00 11.15 O ATOM 0 H ASP A 52 -3.804 4.269 3.942 1.00 54.24 H new ATOM 0 HA ASP A 52 -3.711 6.725 2.306 1.00 50.35 H new ATOM 0 HB2 ASP A 52 -5.963 7.114 2.987 1.00 24.20 H new ATOM 0 HB3 ASP A 52 -5.875 5.434 2.497 1.00 24.20 H new ATOM 845 N TRP A 53 -3.209 8.319 4.178 1.00 41.24 N ATOM 846 CA TRP A 53 -2.823 9.226 5.254 1.00 41.12 C ATOM 847 C TRP A 53 -4.068 9.750 5.960 1.00 63.05 C ATOM 848 O TRP A 53 -4.042 10.031 7.160 1.00 72.13 O ATOM 849 CB TRP A 53 -1.999 10.399 4.704 1.00 51.33 C ATOM 850 CG TRP A 53 -0.622 10.010 4.250 1.00 3.32 C ATOM 851 CD1 TRP A 53 -0.297 9.248 3.166 1.00 54.24 C ATOM 852 CD2 TRP A 53 0.618 10.376 4.869 1.00 45.33 C ATOM 853 NE1 TRP A 53 1.067 9.114 3.076 1.00 52.24 N ATOM 854 CE2 TRP A 53 1.650 9.797 4.109 1.00 70.53 C ATOM 855 CE3 TRP A 53 0.951 11.134 5.993 1.00 73.33 C ATOM 856 CZ2 TRP A 53 2.994 9.952 4.438 1.00 45.02 C ATOM 857 CZ3 TRP A 53 2.285 11.289 6.319 1.00 52.00 C ATOM 858 CH2 TRP A 53 3.293 10.700 5.544 1.00 43.14 C ATOM 0 H TRP A 53 -3.228 8.745 3.251 1.00 41.24 H new ATOM 0 HA TRP A 53 -2.208 8.677 5.968 1.00 41.12 H new ATOM 0 HB2 TRP A 53 -2.535 10.847 3.867 1.00 51.33 H new ATOM 0 HB3 TRP A 53 -1.915 11.165 5.475 1.00 51.33 H new ATOM 0 HD1 TRP A 53 -1.008 8.814 2.479 1.00 54.24 H new ATOM 0 HE1 TRP A 53 1.565 8.590 2.356 1.00 52.24 H new ATOM 0 HE3 TRP A 53 0.181 11.591 6.596 1.00 73.33 H new ATOM 0 HZ2 TRP A 53 3.772 9.498 3.842 1.00 45.02 H new ATOM 0 HZ3 TRP A 53 2.555 11.874 7.186 1.00 52.00 H new ATOM 0 HH2 TRP A 53 4.326 10.839 5.825 1.00 43.14 H new ATOM 869 N GLY A 54 -5.157 9.857 5.200 1.00 12.13 N ATOM 870 CA GLY A 54 -6.398 10.404 5.722 1.00 3.34 C ATOM 871 C GLY A 54 -6.234 11.832 6.209 1.00 22.31 C ATOM 872 O GLY A 54 -6.580 12.785 5.508 1.00 55.32 O ATOM 0 H GLY A 54 -5.200 9.571 4.222 1.00 12.13 H new ATOM 0 HA2 GLY A 54 -7.162 10.372 4.946 1.00 3.34 H new ATOM 0 HA3 GLY A 54 -6.751 9.780 6.543 1.00 3.34 H new ATOM 876 N TYR A 55 -5.681 11.973 7.406 1.00 53.11 N ATOM 877 CA TYR A 55 -5.434 13.278 8.013 1.00 11.21 C ATOM 878 C TYR A 55 -3.981 13.373 8.488 1.00 21.21 C ATOM 879 O TYR A 55 -3.433 14.466 8.640 1.00 51.43 O ATOM 880 CB TYR A 55 -6.402 13.493 9.188 1.00 50.31 C ATOM 881 CG TYR A 55 -6.193 14.793 9.942 1.00 70.22 C ATOM 882 CD1 TYR A 55 -6.734 15.985 9.477 1.00 63.04 C ATOM 883 CD2 TYR A 55 -5.456 14.825 11.123 1.00 43.12 C ATOM 884 CE1 TYR A 55 -6.545 17.172 10.160 1.00 4.40 C ATOM 885 CE2 TYR A 55 -5.260 16.003 11.811 1.00 75.15 C ATOM 886 CZ TYR A 55 -5.808 17.174 11.328 1.00 71.50 C ATOM 887 OH TYR A 55 -5.614 18.354 12.011 1.00 52.52 O ATOM 0 H TYR A 55 -5.390 11.186 7.986 1.00 53.11 H new ATOM 0 HA TYR A 55 -5.603 14.058 7.270 1.00 11.21 H new ATOM 0 HB2 TYR A 55 -7.424 13.466 8.810 1.00 50.31 H new ATOM 0 HB3 TYR A 55 -6.298 12.662 9.885 1.00 50.31 H new ATOM 0 HD1 TYR A 55 -7.313 15.984 8.565 1.00 63.04 H new ATOM 0 HD2 TYR A 55 -5.030 13.910 11.507 1.00 43.12 H new ATOM 0 HE1 TYR A 55 -6.970 18.090 9.783 1.00 4.40 H new ATOM 0 HE2 TYR A 55 -4.681 16.010 12.723 1.00 75.15 H new ATOM 0 HH TYR A 55 -5.075 18.184 12.812 1.00 52.52 H new ATOM 897 N GLY A 56 -3.361 12.217 8.697 1.00 74.23 N ATOM 898 CA GLY A 56 -2.003 12.159 9.214 1.00 32.14 C ATOM 899 C GLY A 56 -1.703 10.797 9.803 1.00 14.11 C ATOM 900 O GLY A 56 -0.564 10.323 9.764 1.00 23.33 O ATOM 0 H GLY A 56 -3.781 11.305 8.515 1.00 74.23 H new ATOM 0 HA2 GLY A 56 -1.296 12.376 8.413 1.00 32.14 H new ATOM 0 HA3 GLY A 56 -1.867 12.926 9.976 1.00 32.14 H new ATOM 904 N GLN A 57 -2.738 10.172 10.355 1.00 4.54 N ATOM 905 CA GLN A 57 -2.640 8.817 10.881 1.00 71.21 C ATOM 906 C GLN A 57 -2.640 7.820 9.720 1.00 4.13 C ATOM 907 O GLN A 57 -3.697 7.360 9.287 1.00 45.21 O ATOM 908 CB GLN A 57 -3.812 8.533 11.839 1.00 53.52 C ATOM 909 CG GLN A 57 -3.881 9.480 13.035 1.00 42.21 C ATOM 910 CD GLN A 57 -5.077 9.202 13.938 1.00 14.43 C ATOM 911 OE1 GLN A 57 -4.991 8.416 14.883 1.00 71.33 O ATOM 912 NE2 GLN A 57 -6.201 9.842 13.652 1.00 0.15 N ATOM 0 H GLN A 57 -3.664 10.589 10.450 1.00 4.54 H new ATOM 0 HA GLN A 57 -1.710 8.711 11.440 1.00 71.21 H new ATOM 0 HB2 GLN A 57 -4.747 8.599 11.282 1.00 53.52 H new ATOM 0 HB3 GLN A 57 -3.730 7.509 12.204 1.00 53.52 H new ATOM 0 HG2 GLN A 57 -2.964 9.391 13.617 1.00 42.21 H new ATOM 0 HG3 GLN A 57 -3.933 10.508 12.677 1.00 42.21 H new ATOM 0 HE21 GLN A 57 -6.234 10.486 12.861 1.00 0.15 H new ATOM 0 HE22 GLN A 57 -7.033 9.691 14.222 1.00 0.15 H new ATOM 921 N LEU A 58 -1.450 7.524 9.199 1.00 40.10 N ATOM 922 CA LEU A 58 -1.311 6.685 8.010 1.00 73.02 C ATOM 923 C LEU A 58 -1.727 5.244 8.322 1.00 71.02 C ATOM 924 O LEU A 58 -1.210 4.622 9.254 1.00 34.01 O ATOM 925 CB LEU A 58 0.139 6.736 7.487 1.00 44.52 C ATOM 926 CG LEU A 58 0.317 6.531 5.965 1.00 23.41 C ATOM 927 CD1 LEU A 58 1.788 6.633 5.573 1.00 31.53 C ATOM 928 CD2 LEU A 58 -0.255 5.197 5.501 1.00 42.43 C ATOM 0 H LEU A 58 -0.565 7.854 9.584 1.00 40.10 H new ATOM 0 HA LEU A 58 -1.970 7.068 7.231 1.00 73.02 H new ATOM 0 HB2 LEU A 58 0.568 7.701 7.756 1.00 44.52 H new ATOM 0 HB3 LEU A 58 0.719 5.973 8.007 1.00 44.52 H new ATOM 0 HG LEU A 58 -0.240 7.325 5.468 1.00 23.41 H new ATOM 0 HD11 LEU A 58 1.889 6.485 4.498 1.00 31.53 H new ATOM 0 HD12 LEU A 58 2.169 7.618 5.841 1.00 31.53 H new ATOM 0 HD13 LEU A 58 2.359 5.868 6.099 1.00 31.53 H new ATOM 0 HD21 LEU A 58 -0.109 5.093 4.426 1.00 42.43 H new ATOM 0 HD22 LEU A 58 0.255 4.383 6.017 1.00 42.43 H new ATOM 0 HD23 LEU A 58 -1.320 5.159 5.728 1.00 42.43 H new ATOM 940 N ARG A 59 -2.656 4.729 7.526 1.00 40.52 N ATOM 941 CA ARG A 59 -3.211 3.398 7.710 1.00 10.41 C ATOM 942 C ARG A 59 -3.010 2.564 6.445 1.00 40.31 C ATOM 943 O ARG A 59 -3.281 3.036 5.343 1.00 63.53 O ATOM 944 CB ARG A 59 -4.704 3.527 8.017 1.00 70.40 C ATOM 945 CG ARG A 59 -5.383 2.226 8.412 1.00 21.23 C ATOM 946 CD ARG A 59 -6.888 2.416 8.564 1.00 61.23 C ATOM 947 NE ARG A 59 -7.218 3.598 9.367 1.00 74.41 N ATOM 948 CZ ARG A 59 -7.761 3.559 10.585 1.00 14.44 C ATOM 949 NH1 ARG A 59 -8.011 2.396 11.173 1.00 13.24 N ATOM 950 NH2 ARG A 59 -8.048 4.691 11.214 1.00 24.33 N ATOM 0 H ARG A 59 -3.047 5.230 6.728 1.00 40.52 H new ATOM 0 HA ARG A 59 -2.704 2.900 8.536 1.00 10.41 H new ATOM 0 HB2 ARG A 59 -4.835 4.249 8.823 1.00 70.40 H new ATOM 0 HB3 ARG A 59 -5.208 3.933 7.140 1.00 70.40 H new ATOM 0 HG2 ARG A 59 -5.184 1.465 7.658 1.00 21.23 H new ATOM 0 HG3 ARG A 59 -4.963 1.863 9.350 1.00 21.23 H new ATOM 0 HD2 ARG A 59 -7.342 2.510 7.578 1.00 61.23 H new ATOM 0 HD3 ARG A 59 -7.319 1.530 9.030 1.00 61.23 H new ATOM 0 HE ARG A 59 -7.018 4.514 8.966 1.00 74.41 H new ATOM 0 HH11 ARG A 59 -7.788 1.524 10.694 1.00 13.24 H new ATOM 0 HH12 ARG A 59 -8.426 2.374 12.104 1.00 13.24 H new ATOM 0 HH21 ARG A 59 -7.853 5.587 10.766 1.00 24.33 H new ATOM 0 HH22 ARG A 59 -8.463 4.666 12.145 1.00 24.33 H new ATOM 964 N LEU A 60 -2.518 1.335 6.599 1.00 3.35 N ATOM 965 CA LEU A 60 -2.379 0.423 5.463 1.00 23.24 C ATOM 966 C LEU A 60 -3.546 -0.554 5.431 1.00 35.34 C ATOM 967 O LEU A 60 -4.005 -1.026 6.474 1.00 24.45 O ATOM 968 CB LEU A 60 -1.042 -0.339 5.509 1.00 24.54 C ATOM 969 CG LEU A 60 0.158 0.392 4.878 1.00 54.12 C ATOM 970 CD1 LEU A 60 0.398 1.740 5.549 1.00 31.52 C ATOM 971 CD2 LEU A 60 1.413 -0.476 4.943 1.00 32.35 C ATOM 0 H LEU A 60 -2.211 0.950 7.492 1.00 3.35 H new ATOM 0 HA LEU A 60 -2.387 1.020 4.551 1.00 23.24 H new ATOM 0 HB2 LEU A 60 -0.805 -0.560 6.550 1.00 24.54 H new ATOM 0 HB3 LEU A 60 -1.171 -1.295 5.002 1.00 24.54 H new ATOM 0 HG LEU A 60 -0.077 0.579 3.830 1.00 54.12 H new ATOM 0 HD11 LEU A 60 1.251 2.232 5.082 1.00 31.52 H new ATOM 0 HD12 LEU A 60 -0.488 2.365 5.437 1.00 31.52 H new ATOM 0 HD13 LEU A 60 0.602 1.588 6.609 1.00 31.52 H new ATOM 0 HD21 LEU A 60 2.249 0.059 4.492 1.00 32.35 H new ATOM 0 HD22 LEU A 60 1.646 -0.702 5.984 1.00 32.35 H new ATOM 0 HD23 LEU A 60 1.241 -1.405 4.400 1.00 32.35 H new ATOM 983 N LYS A 61 -4.018 -0.855 4.232 1.00 14.24 N ATOM 984 CA LYS A 61 -5.161 -1.730 4.038 1.00 64.03 C ATOM 985 C LYS A 61 -4.888 -2.645 2.841 1.00 64.00 C ATOM 986 O LYS A 61 -4.482 -2.175 1.774 1.00 1.01 O ATOM 987 CB LYS A 61 -6.428 -0.880 3.798 1.00 12.44 C ATOM 988 CG LYS A 61 -7.725 -1.477 4.347 1.00 54.44 C ATOM 989 CD LYS A 61 -8.029 -2.865 3.785 1.00 73.23 C ATOM 990 CE LYS A 61 -9.419 -3.346 4.188 1.00 52.43 C ATOM 991 NZ LYS A 61 -9.633 -4.777 3.854 1.00 54.40 N ATOM 0 H LYS A 61 -3.618 -0.498 3.364 1.00 14.24 H new ATOM 0 HA LYS A 61 -5.321 -2.343 4.925 1.00 64.03 H new ATOM 0 HB2 LYS A 61 -6.279 0.101 4.249 1.00 12.44 H new ATOM 0 HB3 LYS A 61 -6.544 -0.724 2.725 1.00 12.44 H new ATOM 0 HG2 LYS A 61 -7.659 -1.538 5.433 1.00 54.44 H new ATOM 0 HG3 LYS A 61 -8.553 -0.808 4.115 1.00 54.44 H new ATOM 0 HD2 LYS A 61 -7.953 -2.842 2.698 1.00 73.23 H new ATOM 0 HD3 LYS A 61 -7.281 -3.574 4.142 1.00 73.23 H new ATOM 0 HE2 LYS A 61 -9.556 -3.200 5.259 1.00 52.43 H new ATOM 0 HE3 LYS A 61 -10.172 -2.740 3.684 1.00 52.43 H new ATOM 0 HZ1 LYS A 61 -10.581 -4.900 3.445 1.00 54.40 H new ATOM 0 HZ2 LYS A 61 -8.916 -5.084 3.166 1.00 54.40 H new ATOM 0 HZ3 LYS A 61 -9.552 -5.351 4.717 1.00 54.40 H new ATOM 1005 N GLY A 62 -5.096 -3.943 3.028 1.00 62.34 N ATOM 1006 CA GLY A 62 -4.896 -4.894 1.947 1.00 70.34 C ATOM 1007 C GLY A 62 -6.158 -5.084 1.126 1.00 21.12 C ATOM 1008 O GLY A 62 -7.262 -5.118 1.679 1.00 3.11 O ATOM 0 H GLY A 62 -5.400 -4.356 3.910 1.00 62.34 H new ATOM 0 HA2 GLY A 62 -4.090 -4.546 1.301 1.00 70.34 H new ATOM 0 HA3 GLY A 62 -4.582 -5.853 2.359 1.00 70.34 H new ATOM 1012 N PHE A 63 -6.001 -5.206 -0.189 1.00 44.01 N ATOM 1013 CA PHE A 63 -7.133 -5.386 -1.097 1.00 73.44 C ATOM 1014 C PHE A 63 -6.821 -6.455 -2.137 1.00 0.14 C ATOM 1015 O PHE A 63 -5.669 -6.847 -2.311 1.00 35.30 O ATOM 1016 CB PHE A 63 -7.464 -4.071 -1.816 1.00 54.32 C ATOM 1017 CG PHE A 63 -7.869 -2.944 -0.899 1.00 33.01 C ATOM 1018 CD1 PHE A 63 -9.158 -2.874 -0.392 1.00 61.32 C ATOM 1019 CD2 PHE A 63 -6.962 -1.953 -0.553 1.00 43.34 C ATOM 1020 CE1 PHE A 63 -9.532 -1.841 0.442 1.00 53.23 C ATOM 1021 CE2 PHE A 63 -7.334 -0.919 0.281 1.00 32.03 C ATOM 1022 CZ PHE A 63 -8.620 -0.862 0.780 1.00 22.42 C ATOM 0 H PHE A 63 -5.093 -5.183 -0.654 1.00 44.01 H new ATOM 0 HA PHE A 63 -7.991 -5.699 -0.501 1.00 73.44 H new ATOM 0 HB2 PHE A 63 -6.594 -3.758 -2.394 1.00 54.32 H new ATOM 0 HB3 PHE A 63 -8.270 -4.253 -2.527 1.00 54.32 H new ATOM 0 HD1 PHE A 63 -9.877 -3.637 -0.653 1.00 61.32 H new ATOM 0 HD2 PHE A 63 -5.955 -1.991 -0.940 1.00 43.34 H new ATOM 0 HE1 PHE A 63 -10.539 -1.798 0.831 1.00 53.23 H new ATOM 0 HE2 PHE A 63 -6.619 -0.154 0.544 1.00 32.03 H new ATOM 0 HZ PHE A 63 -8.912 -0.053 1.433 1.00 22.42 H new ATOM 1032 N PHE A 64 -7.862 -6.922 -2.819 1.00 40.53 N ATOM 1033 CA PHE A 64 -7.716 -7.826 -3.956 1.00 33.41 C ATOM 1034 C PHE A 64 -8.193 -7.115 -5.216 1.00 41.14 C ATOM 1035 O PHE A 64 -9.010 -6.197 -5.137 1.00 42.32 O ATOM 1036 CB PHE A 64 -8.523 -9.115 -3.741 1.00 1.14 C ATOM 1037 CG PHE A 64 -8.010 -9.986 -2.616 1.00 20.13 C ATOM 1038 CD1 PHE A 64 -6.905 -10.806 -2.808 1.00 32.41 C ATOM 1039 CD2 PHE A 64 -8.628 -9.986 -1.372 1.00 20.35 C ATOM 1040 CE1 PHE A 64 -6.430 -11.602 -1.785 1.00 34.12 C ATOM 1041 CE2 PHE A 64 -8.154 -10.784 -0.347 1.00 64.43 C ATOM 1042 CZ PHE A 64 -7.055 -11.593 -0.553 1.00 12.40 C ATOM 0 H PHE A 64 -8.830 -6.685 -2.600 1.00 40.53 H new ATOM 0 HA PHE A 64 -6.666 -8.102 -4.059 1.00 33.41 H new ATOM 0 HB2 PHE A 64 -9.561 -8.851 -3.537 1.00 1.14 H new ATOM 0 HB3 PHE A 64 -8.517 -9.693 -4.665 1.00 1.14 H new ATOM 0 HD1 PHE A 64 -6.412 -10.821 -3.769 1.00 32.41 H new ATOM 0 HD2 PHE A 64 -9.489 -9.356 -1.203 1.00 20.35 H new ATOM 0 HE1 PHE A 64 -5.569 -12.233 -1.948 1.00 34.12 H new ATOM 0 HE2 PHE A 64 -8.644 -10.774 0.615 1.00 64.43 H new ATOM 0 HZ PHE A 64 -6.685 -12.217 0.247 1.00 12.40 H new ATOM 1052 N ASP A 65 -7.687 -7.530 -6.371 1.00 62.41 N ATOM 1053 CA ASP A 65 -8.050 -6.892 -7.637 1.00 42.12 C ATOM 1054 C ASP A 65 -9.494 -7.214 -8.022 1.00 12.11 C ATOM 1055 O ASP A 65 -9.840 -8.371 -8.282 1.00 50.34 O ATOM 1056 CB ASP A 65 -7.090 -7.311 -8.765 1.00 72.32 C ATOM 1057 CG ASP A 65 -7.071 -8.813 -9.021 1.00 3.35 C ATOM 1058 OD1 ASP A 65 -6.550 -9.558 -8.162 1.00 14.31 O ATOM 1059 OD2 ASP A 65 -7.569 -9.264 -10.075 1.00 43.32 O ATOM 0 H ASP A 65 -7.027 -8.302 -6.461 1.00 62.41 H new ATOM 0 HA ASP A 65 -7.965 -5.814 -7.497 1.00 42.12 H new ATOM 0 HB2 ASP A 65 -7.375 -6.798 -9.683 1.00 72.32 H new ATOM 0 HB3 ASP A 65 -6.082 -6.980 -8.515 1.00 72.32 H new ATOM 1064 N ASP A 66 -10.339 -6.184 -8.016 1.00 22.14 N ATOM 1065 CA ASP A 66 -11.714 -6.308 -8.500 1.00 43.43 C ATOM 1066 C ASP A 66 -11.719 -6.338 -10.021 1.00 74.34 C ATOM 1067 O ASP A 66 -12.416 -7.145 -10.638 1.00 23.23 O ATOM 1068 CB ASP A 66 -12.591 -5.139 -8.012 1.00 73.14 C ATOM 1069 CG ASP A 66 -12.973 -5.240 -6.543 1.00 11.43 C ATOM 1070 OD1 ASP A 66 -13.604 -6.245 -6.156 1.00 62.53 O ATOM 1071 OD2 ASP A 66 -12.684 -4.296 -5.777 1.00 32.13 O ATOM 0 H ASP A 66 -10.095 -5.252 -7.681 1.00 22.14 H new ATOM 0 HA ASP A 66 -12.128 -7.235 -8.104 1.00 43.43 H new ATOM 0 HB2 ASP A 66 -12.059 -4.202 -8.177 1.00 73.14 H new ATOM 0 HB3 ASP A 66 -13.499 -5.100 -8.614 1.00 73.14 H new ATOM 1205 N THR A 75 -5.253 -1.495 -11.614 1.00 63.44 N ATOM 1206 CA THR A 75 -5.772 -1.746 -10.273 1.00 5.04 C ATOM 1207 C THR A 75 -7.263 -1.411 -10.233 1.00 15.23 C ATOM 1208 O THR A 75 -8.107 -2.301 -10.347 1.00 61.33 O ATOM 1209 CB THR A 75 -5.020 -0.920 -9.195 1.00 71.32 C ATOM 1210 OG1 THR A 75 -4.799 0.414 -9.677 1.00 74.32 O ATOM 1211 CG2 THR A 75 -3.688 -1.564 -8.814 1.00 62.04 C ATOM 0 HA THR A 75 -5.617 -2.801 -10.047 1.00 5.04 H new ATOM 0 HB THR A 75 -5.641 -0.892 -8.300 1.00 71.32 H new ATOM 0 HG1 THR A 75 -4.768 0.407 -10.656 1.00 74.32 H new ATOM 0 HG21 THR A 75 -3.193 -0.955 -8.057 1.00 62.04 H new ATOM 0 HG22 THR A 75 -3.867 -2.563 -8.416 1.00 62.04 H new ATOM 0 HG23 THR A 75 -3.052 -1.634 -9.696 1.00 62.04 H new ATOM 1219 N LYS A 76 -7.569 -0.114 -10.088 1.00 71.03 N ATOM 1220 CA LYS A 76 -8.949 0.388 -10.059 1.00 74.00 C ATOM 1221 C LYS A 76 -9.842 -0.496 -9.168 1.00 32.41 C ATOM 1222 O LYS A 76 -11.028 -0.694 -9.431 1.00 31.44 O ATOM 1223 CB LYS A 76 -9.503 0.493 -11.496 1.00 72.34 C ATOM 1224 CG LYS A 76 -10.875 1.163 -11.596 1.00 51.35 C ATOM 1225 CD LYS A 76 -10.892 2.532 -10.917 1.00 23.42 C ATOM 1226 CE LYS A 76 -12.281 3.158 -10.949 1.00 43.12 C ATOM 1227 NZ LYS A 76 -12.337 4.438 -10.195 1.00 24.12 N ATOM 0 H LYS A 76 -6.865 0.617 -9.987 1.00 71.03 H new ATOM 0 HA LYS A 76 -8.950 1.386 -9.621 1.00 74.00 H new ATOM 0 HB2 LYS A 76 -8.794 1.052 -12.106 1.00 72.34 H new ATOM 0 HB3 LYS A 76 -9.569 -0.508 -11.921 1.00 72.34 H new ATOM 0 HG2 LYS A 76 -11.149 1.275 -12.645 1.00 51.35 H new ATOM 0 HG3 LYS A 76 -11.627 0.521 -11.137 1.00 51.35 H new ATOM 0 HD2 LYS A 76 -10.562 2.430 -9.883 1.00 23.42 H new ATOM 0 HD3 LYS A 76 -10.183 3.194 -11.414 1.00 23.42 H new ATOM 0 HE2 LYS A 76 -12.574 3.335 -11.984 1.00 43.12 H new ATOM 0 HE3 LYS A 76 -13.003 2.458 -10.528 1.00 43.12 H new ATOM 0 HZ1 LYS A 76 -13.197 4.959 -10.460 1.00 24.12 H new ATOM 0 HZ2 LYS A 76 -12.353 4.239 -9.174 1.00 24.12 H new ATOM 0 HZ3 LYS A 76 -11.500 5.012 -10.423 1.00 24.12 H new ATOM 1241 N ILE A 77 -9.245 -1.007 -8.096 1.00 52.31 N ATOM 1242 CA ILE A 77 -9.941 -1.874 -7.152 1.00 14.31 C ATOM 1243 C ILE A 77 -11.172 -1.161 -6.584 1.00 71.43 C ATOM 1244 O ILE A 77 -11.048 -0.126 -5.928 1.00 42.10 O ATOM 1245 CB ILE A 77 -8.990 -2.294 -6.002 1.00 24.41 C ATOM 1246 CG1 ILE A 77 -7.745 -3.000 -6.570 1.00 64.34 C ATOM 1247 CG2 ILE A 77 -9.708 -3.189 -4.998 1.00 55.13 C ATOM 1248 CD1 ILE A 77 -6.724 -3.388 -5.519 1.00 21.31 C ATOM 0 H ILE A 77 -8.269 -0.833 -7.858 1.00 52.31 H new ATOM 0 HA ILE A 77 -10.267 -2.770 -7.680 1.00 14.31 H new ATOM 0 HB ILE A 77 -8.670 -1.394 -5.477 1.00 24.41 H new ATOM 0 HG12 ILE A 77 -8.060 -3.896 -7.104 1.00 64.34 H new ATOM 0 HG13 ILE A 77 -7.269 -2.345 -7.300 1.00 64.34 H new ATOM 0 HG21 ILE A 77 -9.018 -3.469 -4.202 1.00 55.13 H new ATOM 0 HG22 ILE A 77 -10.555 -2.651 -4.572 1.00 55.13 H new ATOM 0 HG23 ILE A 77 -10.065 -4.087 -5.502 1.00 55.13 H new ATOM 0 HD11 ILE A 77 -5.877 -3.880 -5.998 1.00 21.31 H new ATOM 0 HD12 ILE A 77 -6.378 -2.494 -5.000 1.00 21.31 H new ATOM 0 HD13 ILE A 77 -7.181 -4.070 -4.802 1.00 21.31 H new ATOM 1260 N SER A 78 -12.355 -1.722 -6.832 1.00 14.20 N ATOM 1261 CA SER A 78 -13.611 -1.068 -6.478 1.00 24.55 C ATOM 1262 C SER A 78 -13.722 -0.865 -4.964 1.00 41.13 C ATOM 1263 O SER A 78 -14.106 0.211 -4.508 1.00 61.04 O ATOM 1264 CB SER A 78 -14.805 -1.881 -7.003 1.00 33.31 C ATOM 1265 OG SER A 78 -16.020 -1.157 -6.881 1.00 52.05 O ATOM 0 H SER A 78 -12.468 -2.632 -7.279 1.00 14.20 H new ATOM 0 HA SER A 78 -13.624 -0.085 -6.949 1.00 24.55 H new ATOM 0 HB2 SER A 78 -14.638 -2.141 -8.048 1.00 33.31 H new ATOM 0 HB3 SER A 78 -14.881 -2.817 -6.450 1.00 33.31 H new ATOM 0 HG SER A 78 -16.760 -1.700 -7.225 1.00 52.05 H new ATOM 1271 N THR A 79 -13.370 -1.889 -4.185 1.00 12.53 N ATOM 1272 CA THR A 79 -13.429 -1.785 -2.727 1.00 53.42 C ATOM 1273 C THR A 79 -12.455 -0.709 -2.235 1.00 62.10 C ATOM 1274 O THR A 79 -12.657 -0.096 -1.185 1.00 32.20 O ATOM 1275 CB THR A 79 -13.136 -3.145 -2.034 1.00 25.14 C ATOM 1276 OG1 THR A 79 -13.162 -3.000 -0.605 1.00 23.33 O ATOM 1277 CG2 THR A 79 -11.791 -3.714 -2.458 1.00 60.53 C ATOM 0 H THR A 79 -13.045 -2.790 -4.535 1.00 12.53 H new ATOM 0 HA THR A 79 -14.445 -1.498 -2.457 1.00 53.42 H new ATOM 0 HB THR A 79 -13.917 -3.839 -2.345 1.00 25.14 H new ATOM 0 HG1 THR A 79 -12.977 -3.866 -0.185 1.00 23.33 H new ATOM 0 HG21 THR A 79 -11.622 -4.665 -1.952 1.00 60.53 H new ATOM 0 HG22 THR A 79 -11.786 -3.871 -3.537 1.00 60.53 H new ATOM 0 HG23 THR A 79 -10.999 -3.015 -2.189 1.00 60.53 H new ATOM 1285 N LEU A 80 -11.411 -0.466 -3.022 1.00 43.45 N ATOM 1286 CA LEU A 80 -10.449 0.590 -2.732 1.00 31.34 C ATOM 1287 C LEU A 80 -11.046 1.953 -3.074 1.00 4.13 C ATOM 1288 O LEU A 80 -10.889 2.917 -2.324 1.00 2.10 O ATOM 1289 CB LEU A 80 -9.156 0.360 -3.527 1.00 15.05 C ATOM 1290 CG LEU A 80 -8.136 1.509 -3.483 1.00 53.54 C ATOM 1291 CD1 LEU A 80 -7.682 1.770 -2.050 1.00 15.12 C ATOM 1292 CD2 LEU A 80 -6.944 1.206 -4.390 1.00 52.12 C ATOM 0 H LEU A 80 -11.210 -0.992 -3.873 1.00 43.45 H new ATOM 0 HA LEU A 80 -10.213 0.569 -1.668 1.00 31.34 H new ATOM 0 HB2 LEU A 80 -8.675 -0.543 -3.151 1.00 15.05 H new ATOM 0 HB3 LEU A 80 -9.419 0.171 -4.568 1.00 15.05 H new ATOM 0 HG LEU A 80 -8.619 2.413 -3.853 1.00 53.54 H new ATOM 0 HD11 LEU A 80 -6.960 2.587 -2.040 1.00 15.12 H new ATOM 0 HD12 LEU A 80 -8.543 2.039 -1.439 1.00 15.12 H new ATOM 0 HD13 LEU A 80 -7.218 0.870 -1.646 1.00 15.12 H new ATOM 0 HD21 LEU A 80 -6.233 2.031 -4.345 1.00 52.12 H new ATOM 0 HD22 LEU A 80 -6.457 0.289 -4.057 1.00 52.12 H new ATOM 0 HD23 LEU A 80 -7.290 1.081 -5.416 1.00 52.12 H new ATOM 1304 N ASP A 81 -11.747 2.010 -4.207 1.00 22.53 N ATOM 1305 CA ASP A 81 -12.348 3.255 -4.698 1.00 54.24 C ATOM 1306 C ASP A 81 -13.331 3.805 -3.664 1.00 50.33 C ATOM 1307 O ASP A 81 -13.474 5.019 -3.494 1.00 21.51 O ATOM 1308 CB ASP A 81 -13.058 2.999 -6.040 1.00 22.42 C ATOM 1309 CG ASP A 81 -13.352 4.277 -6.815 1.00 51.24 C ATOM 1310 OD1 ASP A 81 -12.425 4.806 -7.468 1.00 63.11 O ATOM 1311 OD2 ASP A 81 -14.514 4.733 -6.817 1.00 70.21 O ATOM 0 H ASP A 81 -11.915 1.203 -4.807 1.00 22.53 H new ATOM 0 HA ASP A 81 -11.564 3.995 -4.855 1.00 54.24 H new ATOM 0 HB2 ASP A 81 -12.438 2.344 -6.653 1.00 22.42 H new ATOM 0 HB3 ASP A 81 -13.993 2.471 -5.854 1.00 22.42 H new ATOM 1316 N GLU A 82 -13.991 2.890 -2.957 1.00 63.12 N ATOM 1317 CA GLU A 82 -14.906 3.250 -1.877 1.00 41.44 C ATOM 1318 C GLU A 82 -14.118 3.632 -0.624 1.00 31.20 C ATOM 1319 O GLU A 82 -14.355 4.679 -0.016 1.00 34.25 O ATOM 1320 CB GLU A 82 -15.842 2.072 -1.563 1.00 32.41 C ATOM 1321 CG GLU A 82 -16.554 1.497 -2.785 1.00 5.43 C ATOM 1322 CD GLU A 82 -17.492 2.488 -3.456 1.00 45.14 C ATOM 1323 OE1 GLU A 82 -17.023 3.305 -4.268 1.00 35.05 O ATOM 1324 OE2 GLU A 82 -18.709 2.447 -3.187 1.00 54.24 O ATOM 0 H GLU A 82 -13.908 1.886 -3.115 1.00 63.12 H new ATOM 0 HA GLU A 82 -15.503 4.105 -2.196 1.00 41.44 H new ATOM 0 HB2 GLU A 82 -15.264 1.280 -1.087 1.00 32.41 H new ATOM 0 HB3 GLU A 82 -16.590 2.399 -0.841 1.00 32.41 H new ATOM 0 HG2 GLU A 82 -15.809 1.165 -3.508 1.00 5.43 H new ATOM 0 HG3 GLU A 82 -17.121 0.616 -2.485 1.00 5.43 H new ATOM 1331 N TYR A 83 -13.164 2.770 -0.263 1.00 21.14 N ATOM 1332 CA TYR A 83 -12.356 2.942 0.946 1.00 22.35 C ATOM 1333 C TYR A 83 -11.694 4.319 0.990 1.00 0.14 C ATOM 1334 O TYR A 83 -11.707 4.987 2.025 1.00 41.45 O ATOM 1335 CB TYR A 83 -11.286 1.842 1.019 1.00 52.04 C ATOM 1336 CG TYR A 83 -10.380 1.930 2.237 1.00 51.14 C ATOM 1337 CD1 TYR A 83 -10.788 1.433 3.471 1.00 5.05 C ATOM 1338 CD2 TYR A 83 -9.112 2.503 2.150 1.00 21.34 C ATOM 1339 CE1 TYR A 83 -9.964 1.507 4.579 1.00 64.45 C ATOM 1340 CE2 TYR A 83 -8.285 2.579 3.253 1.00 41.21 C ATOM 1341 CZ TYR A 83 -8.714 2.082 4.466 1.00 3.55 C ATOM 1342 OH TYR A 83 -7.890 2.153 5.566 1.00 42.00 O ATOM 0 H TYR A 83 -12.931 1.935 -0.800 1.00 21.14 H new ATOM 0 HA TYR A 83 -13.020 2.865 1.807 1.00 22.35 H new ATOM 0 HB2 TYR A 83 -11.780 0.870 1.018 1.00 52.04 H new ATOM 0 HB3 TYR A 83 -10.672 1.889 0.120 1.00 52.04 H new ATOM 0 HD1 TYR A 83 -11.765 0.982 3.565 1.00 5.05 H new ATOM 0 HD2 TYR A 83 -8.771 2.894 1.203 1.00 21.34 H new ATOM 0 HE1 TYR A 83 -10.297 1.116 5.529 1.00 64.45 H new ATOM 0 HE2 TYR A 83 -7.306 3.026 3.166 1.00 41.21 H new ATOM 0 HH TYR A 83 -7.280 2.914 5.469 1.00 42.00 H new ATOM 1352 N ILE A 84 -11.124 4.739 -0.138 1.00 54.52 N ATOM 1353 CA ILE A 84 -10.431 6.025 -0.215 1.00 62.41 C ATOM 1354 C ILE A 84 -11.369 7.166 0.169 1.00 35.12 C ATOM 1355 O ILE A 84 -11.027 8.001 1.007 1.00 21.12 O ATOM 1356 CB ILE A 84 -9.850 6.284 -1.633 1.00 23.34 C ATOM 1357 CG1 ILE A 84 -8.746 5.263 -1.959 1.00 11.24 C ATOM 1358 CG2 ILE A 84 -9.314 7.713 -1.756 1.00 65.41 C ATOM 1359 CD1 ILE A 84 -7.558 5.318 -1.016 1.00 60.05 C ATOM 0 H ILE A 84 -11.128 4.209 -1.010 1.00 54.52 H new ATOM 0 HA ILE A 84 -9.602 5.984 0.491 1.00 62.41 H new ATOM 0 HB ILE A 84 -10.658 6.164 -2.355 1.00 23.34 H new ATOM 0 HG12 ILE A 84 -9.173 4.260 -1.932 1.00 11.24 H new ATOM 0 HG13 ILE A 84 -8.397 5.433 -2.977 1.00 11.24 H new ATOM 0 HG21 ILE A 84 -8.914 7.866 -2.758 1.00 65.41 H new ATOM 0 HG22 ILE A 84 -10.122 8.422 -1.576 1.00 65.41 H new ATOM 0 HG23 ILE A 84 -8.524 7.870 -1.022 1.00 65.41 H new ATOM 0 HD11 ILE A 84 -6.824 4.569 -1.312 1.00 60.05 H new ATOM 0 HD12 ILE A 84 -7.104 6.308 -1.060 1.00 60.05 H new ATOM 0 HD13 ILE A 84 -7.892 5.117 0.002 1.00 60.05 H new ATOM 1371 N TYR A 85 -12.563 7.164 -0.416 1.00 43.11 N ATOM 1372 CA TYR A 85 -13.537 8.239 -0.209 1.00 30.21 C ATOM 1373 C TYR A 85 -13.886 8.410 1.273 1.00 50.52 C ATOM 1374 O TYR A 85 -14.255 9.502 1.712 1.00 32.41 O ATOM 1375 CB TYR A 85 -14.811 7.965 -1.026 1.00 41.34 C ATOM 1376 CG TYR A 85 -15.936 8.946 -0.750 1.00 13.44 C ATOM 1377 CD1 TYR A 85 -15.887 10.248 -1.237 1.00 30.31 C ATOM 1378 CD2 TYR A 85 -17.037 8.573 0.015 1.00 15.03 C ATOM 1379 CE1 TYR A 85 -16.902 11.147 -0.971 1.00 44.53 C ATOM 1380 CE2 TYR A 85 -18.051 9.466 0.287 1.00 42.40 C ATOM 1381 CZ TYR A 85 -17.982 10.750 -0.208 1.00 11.02 C ATOM 1382 OH TYR A 85 -18.996 11.641 0.070 1.00 2.23 O ATOM 0 H TYR A 85 -12.884 6.426 -1.042 1.00 43.11 H new ATOM 0 HA TYR A 85 -13.082 9.169 -0.552 1.00 30.21 H new ATOM 0 HB2 TYR A 85 -14.565 7.997 -2.087 1.00 41.34 H new ATOM 0 HB3 TYR A 85 -15.160 6.955 -0.810 1.00 41.34 H new ATOM 0 HD1 TYR A 85 -15.042 10.561 -1.832 1.00 30.31 H new ATOM 0 HD2 TYR A 85 -17.098 7.567 0.402 1.00 15.03 H new ATOM 0 HE1 TYR A 85 -16.851 12.154 -1.358 1.00 44.53 H new ATOM 0 HE2 TYR A 85 -18.896 9.161 0.886 1.00 42.40 H new ATOM 0 HH TYR A 85 -19.679 11.199 0.617 1.00 2.23 H new ATOM 1392 N GLU A 86 -13.772 7.331 2.037 1.00 75.14 N ATOM 1393 CA GLU A 86 -14.130 7.353 3.452 1.00 64.51 C ATOM 1394 C GLU A 86 -13.050 8.052 4.285 1.00 32.54 C ATOM 1395 O GLU A 86 -13.348 8.681 5.306 1.00 1.25 O ATOM 1396 CB GLU A 86 -14.339 5.924 3.970 1.00 3.14 C ATOM 1397 CG GLU A 86 -15.288 5.083 3.119 1.00 21.13 C ATOM 1398 CD GLU A 86 -15.505 3.691 3.692 1.00 41.54 C ATOM 1399 OE1 GLU A 86 -14.532 2.910 3.768 1.00 34.30 O ATOM 1400 OE2 GLU A 86 -16.646 3.377 4.097 1.00 5.33 O ATOM 0 H GLU A 86 -13.434 6.429 1.702 1.00 75.14 H new ATOM 0 HA GLU A 86 -15.060 7.913 3.553 1.00 64.51 H new ATOM 0 HB2 GLU A 86 -13.373 5.423 4.020 1.00 3.14 H new ATOM 0 HB3 GLU A 86 -14.727 5.971 4.988 1.00 3.14 H new ATOM 0 HG2 GLU A 86 -16.248 5.593 3.039 1.00 21.13 H new ATOM 0 HG3 GLU A 86 -14.887 4.998 2.109 1.00 21.13 H new ATOM 1407 N TYR A 87 -11.798 7.948 3.844 1.00 4.34 N ATOM 1408 CA TYR A 87 -10.655 8.448 4.615 1.00 45.35 C ATOM 1409 C TYR A 87 -10.012 9.671 3.949 1.00 63.44 C ATOM 1410 O TYR A 87 -9.883 10.736 4.565 1.00 22.11 O ATOM 1411 CB TYR A 87 -9.612 7.333 4.790 1.00 60.21 C ATOM 1412 CG TYR A 87 -10.105 6.145 5.610 1.00 53.40 C ATOM 1413 CD1 TYR A 87 -11.089 5.293 5.113 1.00 54.15 C ATOM 1414 CD2 TYR A 87 -9.595 5.880 6.878 1.00 21.11 C ATOM 1415 CE1 TYR A 87 -11.545 4.219 5.852 1.00 72.54 C ATOM 1416 CE2 TYR A 87 -10.048 4.801 7.622 1.00 11.44 C ATOM 1417 CZ TYR A 87 -11.024 3.976 7.102 1.00 32.25 C ATOM 1418 OH TYR A 87 -11.482 2.901 7.834 1.00 10.34 O ATOM 0 H TYR A 87 -11.546 7.520 2.953 1.00 4.34 H new ATOM 0 HA TYR A 87 -11.023 8.759 5.593 1.00 45.35 H new ATOM 0 HB2 TYR A 87 -9.305 6.979 3.806 1.00 60.21 H new ATOM 0 HB3 TYR A 87 -8.727 7.750 5.270 1.00 60.21 H new ATOM 0 HD1 TYR A 87 -11.503 5.476 4.132 1.00 54.15 H new ATOM 0 HD2 TYR A 87 -8.833 6.526 7.289 1.00 21.11 H new ATOM 0 HE1 TYR A 87 -12.309 3.571 5.449 1.00 72.54 H new ATOM 0 HE2 TYR A 87 -9.639 4.608 8.603 1.00 11.44 H new ATOM 0 HH TYR A 87 -11.013 2.867 8.694 1.00 10.34 H new ATOM 1428 N CYS A 88 -9.601 9.510 2.696 1.00 41.24 N ATOM 1429 CA CYS A 88 -8.913 10.568 1.962 1.00 64.13 C ATOM 1430 C CYS A 88 -9.844 11.183 0.917 1.00 12.41 C ATOM 1431 O CYS A 88 -10.256 10.516 -0.034 1.00 42.33 O ATOM 1432 CB CYS A 88 -7.649 10.011 1.292 1.00 14.53 C ATOM 1433 SG CYS A 88 -6.621 11.263 0.453 1.00 2.03 S ATOM 0 H CYS A 88 -9.733 8.650 2.163 1.00 41.24 H new ATOM 0 HA CYS A 88 -8.620 11.348 2.665 1.00 64.13 H new ATOM 0 HB2 CYS A 88 -7.044 9.510 2.047 1.00 14.53 H new ATOM 0 HB3 CYS A 88 -7.942 9.254 0.565 1.00 14.53 H new ATOM 1438 N ASN A 89 -10.183 12.454 1.110 1.00 20.42 N ATOM 1439 CA ASN A 89 -11.096 13.158 0.211 1.00 71.13 C ATOM 1440 C ASN A 89 -10.358 14.250 -0.560 1.00 2.12 C ATOM 1441 O ASN A 89 -10.418 14.297 -1.791 1.00 51.03 O ATOM 1442 CB ASN A 89 -12.261 13.764 1.003 1.00 34.34 C ATOM 1443 CG ASN A 89 -13.061 12.712 1.757 1.00 25.11 C ATOM 1444 OD1 ASN A 89 -12.752 12.391 2.907 1.00 13.25 O ATOM 1445 ND2 ASN A 89 -14.095 12.171 1.126 1.00 4.44 N ATOM 0 H ASN A 89 -9.838 13.021 1.884 1.00 20.42 H new ATOM 0 HA ASN A 89 -11.494 12.439 -0.505 1.00 71.13 H new ATOM 0 HB2 ASN A 89 -11.873 14.497 1.710 1.00 34.34 H new ATOM 0 HB3 ASN A 89 -12.922 14.298 0.320 1.00 34.34 H new ATOM 0 HD21 ASN A 89 -14.664 11.465 1.592 1.00 4.44 H new ATOM 0 HD22 ASN A 89 -14.321 12.461 0.175 1.00 4.44 H new ATOM 1452 N PHE A 90 -9.674 15.131 0.165 1.00 3.22 N ATOM 1453 CA PHE A 90 -8.898 16.204 -0.452 1.00 1.44 C ATOM 1454 C PHE A 90 -7.867 16.744 0.538 1.00 72.32 C ATOM 1455 O PHE A 90 -8.078 16.698 1.751 1.00 52.42 O ATOM 1456 CB PHE A 90 -9.824 17.333 -0.930 1.00 52.23 C ATOM 1457 CG PHE A 90 -9.102 18.442 -1.657 1.00 4.51 C ATOM 1458 CD1 PHE A 90 -8.563 18.225 -2.919 1.00 23.10 C ATOM 1459 CD2 PHE A 90 -8.954 19.694 -1.078 1.00 33.35 C ATOM 1460 CE1 PHE A 90 -7.895 19.233 -3.584 1.00 54.20 C ATOM 1461 CE2 PHE A 90 -8.285 20.705 -1.741 1.00 42.11 C ATOM 1462 CZ PHE A 90 -7.755 20.474 -2.994 1.00 24.14 C ATOM 0 H PHE A 90 -9.641 15.123 1.184 1.00 3.22 H new ATOM 0 HA PHE A 90 -8.374 15.800 -1.318 1.00 1.44 H new ATOM 0 HB2 PHE A 90 -10.584 16.913 -1.589 1.00 52.23 H new ATOM 0 HB3 PHE A 90 -10.345 17.753 -0.069 1.00 52.23 H new ATOM 0 HD1 PHE A 90 -8.668 17.256 -3.385 1.00 23.10 H new ATOM 0 HD2 PHE A 90 -9.367 19.881 -0.098 1.00 33.35 H new ATOM 0 HE1 PHE A 90 -7.482 19.052 -4.565 1.00 54.20 H new ATOM 0 HE2 PHE A 90 -8.177 21.675 -1.279 1.00 42.11 H new ATOM 0 HZ PHE A 90 -7.231 21.263 -3.513 1.00 24.14 H new ATOM 1472 N GLY A 91 -6.743 17.232 0.015 1.00 72.34 N ATOM 1473 CA GLY A 91 -5.687 17.765 0.861 1.00 75.33 C ATOM 1474 C GLY A 91 -4.906 16.664 1.550 1.00 24.22 C ATOM 1475 O GLY A 91 -3.998 16.927 2.340 1.00 10.11 O ATOM 0 H GLY A 91 -6.545 17.267 -0.985 1.00 72.34 H new ATOM 0 HA2 GLY A 91 -5.009 18.369 0.258 1.00 75.33 H new ATOM 0 HA3 GLY A 91 -6.121 18.426 1.611 1.00 75.33 H new ATOM 1479 N CYS A 92 -5.263 15.425 1.239 1.00 22.04 N ATOM 1480 CA CYS A 92 -4.645 14.254 1.842 1.00 64.21 C ATOM 1481 C CYS A 92 -3.848 13.485 0.793 1.00 12.12 C ATOM 1482 O CYS A 92 -3.823 13.871 -0.381 1.00 14.20 O ATOM 1483 CB CYS A 92 -5.725 13.365 2.471 1.00 71.54 C ATOM 1484 SG CYS A 92 -7.127 13.008 1.363 1.00 13.02 S ATOM 0 H CYS A 92 -5.991 15.204 0.560 1.00 22.04 H new ATOM 0 HA CYS A 92 -3.957 14.570 2.627 1.00 64.21 H new ATOM 0 HB2 CYS A 92 -5.271 12.424 2.781 1.00 71.54 H new ATOM 0 HB3 CYS A 92 -6.101 13.850 3.372 1.00 71.54 H new ATOM 1489 N ALA A 93 -3.199 12.406 1.216 1.00 44.53 N ATOM 1490 CA ALA A 93 -2.345 11.624 0.333 1.00 4.55 C ATOM 1491 C ALA A 93 -2.529 10.128 0.578 1.00 42.22 C ATOM 1492 O ALA A 93 -3.064 9.722 1.615 1.00 41.25 O ATOM 1493 CB ALA A 93 -0.891 12.031 0.536 1.00 65.32 C ATOM 0 H ALA A 93 -3.250 12.052 2.171 1.00 44.53 H new ATOM 0 HA ALA A 93 -2.629 11.825 -0.700 1.00 4.55 H new ATOM 0 HB1 ALA A 93 -0.253 11.445 -0.126 1.00 65.32 H new ATOM 0 HB2 ALA A 93 -0.774 13.090 0.307 1.00 65.32 H new ATOM 0 HB3 ALA A 93 -0.604 11.849 1.572 1.00 65.32 H new ATOM 1499 N TYR A 94 -2.095 9.319 -0.390 1.00 2.12 N ATOM 1500 CA TYR A 94 -2.087 7.862 -0.254 1.00 33.01 C ATOM 1501 C TYR A 94 -1.205 7.242 -1.340 1.00 54.24 C ATOM 1502 O TYR A 94 -0.670 7.954 -2.197 1.00 24.04 O ATOM 1503 CB TYR A 94 -3.516 7.275 -0.308 1.00 62.50 C ATOM 1504 CG TYR A 94 -4.223 7.402 -1.650 1.00 32.30 C ATOM 1505 CD1 TYR A 94 -3.982 6.489 -2.673 1.00 75.03 C ATOM 1506 CD2 TYR A 94 -5.139 8.424 -1.889 1.00 43.12 C ATOM 1507 CE1 TYR A 94 -4.623 6.594 -3.891 1.00 10.23 C ATOM 1508 CE2 TYR A 94 -5.785 8.532 -3.107 1.00 34.02 C ATOM 1509 CZ TYR A 94 -5.524 7.616 -4.103 1.00 21.53 C ATOM 1510 OH TYR A 94 -6.155 7.728 -5.320 1.00 32.54 O ATOM 0 H TYR A 94 -1.741 9.654 -1.286 1.00 2.12 H new ATOM 0 HA TYR A 94 -1.674 7.616 0.724 1.00 33.01 H new ATOM 0 HB2 TYR A 94 -3.467 6.219 -0.040 1.00 62.50 H new ATOM 0 HB3 TYR A 94 -4.122 7.769 0.451 1.00 62.50 H new ATOM 0 HD1 TYR A 94 -3.281 5.684 -2.511 1.00 75.03 H new ATOM 0 HD2 TYR A 94 -5.348 9.143 -1.111 1.00 43.12 H new ATOM 0 HE1 TYR A 94 -4.420 5.879 -4.674 1.00 10.23 H new ATOM 0 HE2 TYR A 94 -6.491 9.331 -3.277 1.00 34.02 H new ATOM 0 HH TYR A 94 -6.759 8.500 -5.306 1.00 32.54 H new ATOM 1520 N PHE A 95 -1.057 5.921 -1.303 1.00 14.11 N ATOM 1521 CA PHE A 95 -0.224 5.204 -2.270 1.00 61.31 C ATOM 1522 C PHE A 95 -0.736 3.778 -2.473 1.00 20.01 C ATOM 1523 O PHE A 95 -1.353 3.206 -1.571 1.00 72.40 O ATOM 1524 CB PHE A 95 1.238 5.178 -1.796 1.00 13.01 C ATOM 1525 CG PHE A 95 1.426 4.593 -0.415 1.00 11.53 C ATOM 1526 CD1 PHE A 95 1.367 5.404 0.711 1.00 45.02 C ATOM 1527 CD2 PHE A 95 1.667 3.238 -0.244 1.00 14.02 C ATOM 1528 CE1 PHE A 95 1.542 4.875 1.975 1.00 31.32 C ATOM 1529 CE2 PHE A 95 1.843 2.704 1.019 1.00 42.40 C ATOM 1530 CZ PHE A 95 1.781 3.524 2.128 1.00 63.23 C ATOM 0 H PHE A 95 -1.505 5.320 -0.611 1.00 14.11 H new ATOM 0 HA PHE A 95 -0.278 5.729 -3.224 1.00 61.31 H new ATOM 0 HB2 PHE A 95 1.830 4.602 -2.507 1.00 13.01 H new ATOM 0 HB3 PHE A 95 1.630 6.195 -1.805 1.00 13.01 H new ATOM 0 HD1 PHE A 95 1.182 6.462 0.597 1.00 45.02 H new ATOM 0 HD2 PHE A 95 1.718 2.592 -1.108 1.00 14.02 H new ATOM 0 HE1 PHE A 95 1.492 5.517 2.842 1.00 31.32 H new ATOM 0 HE2 PHE A 95 2.029 1.647 1.138 1.00 42.40 H new ATOM 0 HZ PHE A 95 1.919 3.109 3.115 1.00 63.23 H new ATOM 1540 N VAL A 96 -0.481 3.215 -3.658 1.00 12.54 N ATOM 1541 CA VAL A 96 -0.878 1.841 -3.971 1.00 52.44 C ATOM 1542 C VAL A 96 0.314 1.046 -4.519 1.00 72.42 C ATOM 1543 O VAL A 96 0.909 1.417 -5.537 1.00 72.13 O ATOM 1544 CB VAL A 96 -2.035 1.796 -5.010 1.00 41.32 C ATOM 1545 CG1 VAL A 96 -2.500 0.356 -5.252 1.00 45.44 C ATOM 1546 CG2 VAL A 96 -3.205 2.677 -4.565 1.00 61.32 C ATOM 0 H VAL A 96 0.001 3.693 -4.419 1.00 12.54 H new ATOM 0 HA VAL A 96 -1.227 1.392 -3.041 1.00 52.44 H new ATOM 0 HB VAL A 96 -1.654 2.190 -5.952 1.00 41.32 H new ATOM 0 HG11 VAL A 96 -3.309 0.353 -5.982 1.00 45.44 H new ATOM 0 HG12 VAL A 96 -1.667 -0.236 -5.631 1.00 45.44 H new ATOM 0 HG13 VAL A 96 -2.855 -0.074 -4.315 1.00 45.44 H new ATOM 0 HG21 VAL A 96 -4.001 2.628 -5.308 1.00 61.32 H new ATOM 0 HG22 VAL A 96 -3.583 2.323 -3.606 1.00 61.32 H new ATOM 0 HG23 VAL A 96 -2.866 3.708 -4.464 1.00 61.32 H new ATOM 1556 N LEU A 97 0.667 -0.034 -3.823 1.00 44.24 N ATOM 1557 CA LEU A 97 1.735 -0.940 -4.252 1.00 72.00 C ATOM 1558 C LEU A 97 1.148 -2.270 -4.721 1.00 24.32 C ATOM 1559 O LEU A 97 0.249 -2.823 -4.084 1.00 1.34 O ATOM 1560 CB LEU A 97 2.741 -1.189 -3.113 1.00 71.44 C ATOM 1561 CG LEU A 97 3.882 -0.164 -2.989 1.00 41.30 C ATOM 1562 CD1 LEU A 97 3.348 1.241 -2.738 1.00 32.14 C ATOM 1563 CD2 LEU A 97 4.847 -0.577 -1.882 1.00 71.35 C ATOM 0 H LEU A 97 0.222 -0.307 -2.947 1.00 44.24 H new ATOM 0 HA LEU A 97 2.261 -0.467 -5.081 1.00 72.00 H new ATOM 0 HB2 LEU A 97 2.195 -1.212 -2.170 1.00 71.44 H new ATOM 0 HB3 LEU A 97 3.180 -2.177 -3.251 1.00 71.44 H new ATOM 0 HG LEU A 97 4.420 -0.147 -3.937 1.00 41.30 H new ATOM 0 HD11 LEU A 97 4.182 1.938 -2.656 1.00 32.14 H new ATOM 0 HD12 LEU A 97 2.706 1.540 -3.567 1.00 32.14 H new ATOM 0 HD13 LEU A 97 2.774 1.252 -1.812 1.00 32.14 H new ATOM 0 HD21 LEU A 97 5.649 0.157 -1.806 1.00 71.35 H new ATOM 0 HD22 LEU A 97 4.312 -0.630 -0.934 1.00 71.35 H new ATOM 0 HD23 LEU A 97 5.271 -1.554 -2.114 1.00 71.35 H new ATOM 1575 N LYS A 98 1.664 -2.771 -5.837 1.00 52.14 N ATOM 1576 CA LYS A 98 1.237 -4.047 -6.403 1.00 34.34 C ATOM 1577 C LYS A 98 2.367 -5.068 -6.275 1.00 34.11 C ATOM 1578 O LYS A 98 3.453 -4.874 -6.824 1.00 1.20 O ATOM 1579 CB LYS A 98 0.818 -3.836 -7.867 1.00 15.21 C ATOM 1580 CG LYS A 98 0.667 -5.110 -8.701 1.00 55.12 C ATOM 1581 CD LYS A 98 -0.130 -4.846 -9.981 1.00 65.43 C ATOM 1582 CE LYS A 98 0.021 -5.967 -11.007 1.00 0.42 C ATOM 1583 NZ LYS A 98 1.258 -5.814 -11.819 1.00 55.23 N ATOM 0 H LYS A 98 2.392 -2.303 -6.377 1.00 52.14 H new ATOM 0 HA LYS A 98 0.377 -4.436 -5.858 1.00 34.34 H new ATOM 0 HB2 LYS A 98 -0.131 -3.299 -7.881 1.00 15.21 H new ATOM 0 HB3 LYS A 98 1.555 -3.193 -8.348 1.00 15.21 H new ATOM 0 HG2 LYS A 98 1.653 -5.498 -8.957 1.00 55.12 H new ATOM 0 HG3 LYS A 98 0.166 -5.877 -8.110 1.00 55.12 H new ATOM 0 HD2 LYS A 98 -1.184 -4.727 -9.730 1.00 65.43 H new ATOM 0 HD3 LYS A 98 0.201 -3.906 -10.423 1.00 65.43 H new ATOM 0 HE2 LYS A 98 0.040 -6.928 -10.494 1.00 0.42 H new ATOM 0 HE3 LYS A 98 -0.847 -5.975 -11.666 1.00 0.42 H new ATOM 0 HZ1 LYS A 98 1.582 -6.749 -12.137 1.00 55.23 H new ATOM 0 HZ2 LYS A 98 1.058 -5.217 -12.647 1.00 55.23 H new ATOM 0 HZ3 LYS A 98 1.999 -5.369 -11.242 1.00 55.23 H new ATOM 1597 N ARG A 99 2.121 -6.137 -5.523 1.00 22.20 N ATOM 1598 CA ARG A 99 3.150 -7.134 -5.239 1.00 41.21 C ATOM 1599 C ARG A 99 3.241 -8.127 -6.397 1.00 34.11 C ATOM 1600 O ARG A 99 2.231 -8.668 -6.844 1.00 2.42 O ATOM 1601 CB ARG A 99 2.839 -7.845 -3.906 1.00 23.12 C ATOM 1602 CG ARG A 99 4.068 -8.413 -3.181 1.00 13.24 C ATOM 1603 CD ARG A 99 4.376 -9.849 -3.568 1.00 53.10 C ATOM 1604 NE ARG A 99 3.280 -10.747 -3.203 1.00 51.01 N ATOM 1605 CZ ARG A 99 3.359 -11.698 -2.268 1.00 60.23 C ATOM 1606 NH1 ARG A 99 4.508 -11.952 -1.654 1.00 51.42 N ATOM 1607 NH2 ARG A 99 2.285 -12.415 -1.968 1.00 0.21 N ATOM 0 H ARG A 99 1.215 -6.336 -5.098 1.00 22.20 H new ATOM 0 HA ARG A 99 4.119 -6.644 -5.138 1.00 41.21 H new ATOM 0 HB2 ARG A 99 2.336 -7.141 -3.243 1.00 23.12 H new ATOM 0 HB3 ARG A 99 2.139 -8.658 -4.098 1.00 23.12 H new ATOM 0 HG2 ARG A 99 4.934 -7.789 -3.403 1.00 13.24 H new ATOM 0 HG3 ARG A 99 3.904 -8.360 -2.105 1.00 13.24 H new ATOM 0 HD2 ARG A 99 4.554 -9.908 -4.642 1.00 53.10 H new ATOM 0 HD3 ARG A 99 5.293 -10.172 -3.074 1.00 53.10 H new ATOM 0 HE ARG A 99 2.394 -10.639 -3.697 1.00 51.01 H new ATOM 0 HH11 ARG A 99 5.343 -11.419 -1.894 1.00 51.42 H new ATOM 0 HH12 ARG A 99 4.555 -12.681 -0.942 1.00 51.42 H new ATOM 0 HH21 ARG A 99 1.404 -12.239 -2.450 1.00 0.21 H new ATOM 0 HH22 ARG A 99 2.340 -13.142 -1.255 1.00 0.21 H new ATOM 1621 N ILE A 100 4.462 -8.371 -6.866 1.00 50.13 N ATOM 1622 CA ILE A 100 4.700 -9.183 -8.065 1.00 51.42 C ATOM 1623 C ILE A 100 4.532 -10.684 -7.773 1.00 45.25 C ATOM 1624 O ILE A 100 4.760 -11.525 -8.645 1.00 14.21 O ATOM 1625 CB ILE A 100 6.135 -8.929 -8.619 1.00 2.14 C ATOM 1626 CG1 ILE A 100 6.493 -7.433 -8.549 1.00 40.43 C ATOM 1627 CG2 ILE A 100 6.266 -9.436 -10.055 1.00 12.41 C ATOM 1628 CD1 ILE A 100 5.545 -6.531 -9.310 1.00 42.52 C ATOM 0 H ILE A 100 5.313 -8.015 -6.431 1.00 50.13 H new ATOM 0 HA ILE A 100 3.960 -8.887 -8.808 1.00 51.42 H new ATOM 0 HB ILE A 100 6.835 -9.483 -7.993 1.00 2.14 H new ATOM 0 HG12 ILE A 100 6.510 -7.124 -7.504 1.00 40.43 H new ATOM 0 HG13 ILE A 100 7.501 -7.294 -8.939 1.00 40.43 H new ATOM 0 HG21 ILE A 100 7.276 -9.246 -10.417 1.00 12.41 H new ATOM 0 HG22 ILE A 100 6.066 -10.507 -10.082 1.00 12.41 H new ATOM 0 HG23 ILE A 100 5.549 -8.917 -10.691 1.00 12.41 H new ATOM 0 HD11 ILE A 100 5.869 -5.495 -9.209 1.00 42.52 H new ATOM 0 HD12 ILE A 100 5.544 -6.810 -10.364 1.00 42.52 H new ATOM 0 HD13 ILE A 100 4.538 -6.637 -8.906 1.00 42.52 H new ATOM 1640 N ARG A 101 4.128 -11.005 -6.541 1.00 13.12 N ATOM 1641 CA ARG A 101 4.055 -12.393 -6.055 1.00 43.04 C ATOM 1642 C ARG A 101 5.430 -13.066 -6.161 1.00 42.12 C ATOM 1643 O ARG A 101 5.569 -14.284 -6.003 1.00 32.11 O ATOM 1644 CB ARG A 101 2.994 -13.211 -6.826 1.00 42.32 C ATOM 1645 CG ARG A 101 1.690 -12.455 -7.102 1.00 5.35 C ATOM 1646 CD ARG A 101 0.475 -13.380 -7.092 1.00 2.24 C ATOM 1647 NE ARG A 101 0.092 -13.732 -5.724 1.00 32.40 N ATOM 1648 CZ ARG A 101 -0.694 -14.754 -5.387 1.00 21.23 C ATOM 1649 NH1 ARG A 101 -1.188 -15.565 -6.315 1.00 41.12 N ATOM 1650 NH2 ARG A 101 -1.000 -14.945 -4.115 1.00 10.13 N ATOM 0 H ARG A 101 3.841 -10.312 -5.849 1.00 13.12 H new ATOM 0 HA ARG A 101 3.753 -12.364 -5.008 1.00 43.04 H new ATOM 0 HB2 ARG A 101 3.421 -13.533 -7.776 1.00 42.32 H new ATOM 0 HB3 ARG A 101 2.764 -14.112 -6.258 1.00 42.32 H new ATOM 0 HG2 ARG A 101 1.558 -11.676 -6.351 1.00 5.35 H new ATOM 0 HG3 ARG A 101 1.758 -11.957 -8.069 1.00 5.35 H new ATOM 0 HD2 ARG A 101 -0.361 -12.892 -7.593 1.00 2.24 H new ATOM 0 HD3 ARG A 101 0.699 -14.286 -7.655 1.00 2.24 H new ATOM 0 HE ARG A 101 0.455 -13.149 -4.970 1.00 32.40 H new ATOM 0 HH11 ARG A 101 -0.967 -15.409 -7.299 1.00 41.12 H new ATOM 0 HH12 ARG A 101 -1.788 -16.344 -6.044 1.00 41.12 H new ATOM 0 HH21 ARG A 101 -0.635 -14.313 -3.402 1.00 10.13 H new ATOM 0 HH22 ARG A 101 -1.601 -15.724 -3.846 1.00 10.13 H new ATOM 1664 N LYS A 102 6.450 -12.239 -6.374 1.00 14.44 N ATOM 1665 CA LYS A 102 7.794 -12.699 -6.698 1.00 42.11 C ATOM 1666 C LYS A 102 8.817 -11.938 -5.858 1.00 11.11 C ATOM 1667 O LYS A 102 8.480 -10.951 -5.200 1.00 10.01 O ATOM 1668 CB LYS A 102 8.058 -12.460 -8.200 1.00 34.22 C ATOM 1669 CG LYS A 102 9.443 -12.886 -8.688 1.00 54.41 C ATOM 1670 CD LYS A 102 9.786 -12.278 -10.048 1.00 54.51 C ATOM 1671 CE LYS A 102 8.902 -12.812 -11.172 1.00 74.41 C ATOM 1672 NZ LYS A 102 9.160 -14.253 -11.447 1.00 70.31 N ATOM 0 H LYS A 102 6.365 -11.224 -6.326 1.00 14.44 H new ATOM 0 HA LYS A 102 7.883 -13.763 -6.478 1.00 42.11 H new ATOM 0 HB2 LYS A 102 7.305 -12.998 -8.776 1.00 34.22 H new ATOM 0 HB3 LYS A 102 7.925 -11.399 -8.413 1.00 34.22 H new ATOM 0 HG2 LYS A 102 10.193 -12.584 -7.957 1.00 54.41 H new ATOM 0 HG3 LYS A 102 9.484 -13.973 -8.757 1.00 54.41 H new ATOM 0 HD2 LYS A 102 9.682 -11.194 -9.993 1.00 54.51 H new ATOM 0 HD3 LYS A 102 10.830 -12.487 -10.282 1.00 54.51 H new ATOM 0 HE2 LYS A 102 7.854 -12.676 -10.905 1.00 74.41 H new ATOM 0 HE3 LYS A 102 9.078 -12.233 -12.078 1.00 74.41 H new ATOM 0 HZ1 LYS A 102 8.655 -14.537 -12.311 1.00 70.31 H new ATOM 0 HZ2 LYS A 102 10.181 -14.404 -11.577 1.00 70.31 H new ATOM 0 HZ3 LYS A 102 8.825 -14.825 -10.646 1.00 70.31 H new ATOM 1686 N LEU A 103 10.047 -12.431 -5.856 1.00 31.40 N ATOM 1687 CA LEU A 103 11.189 -11.704 -5.321 1.00 51.12 C ATOM 1688 C LEU A 103 12.399 -12.068 -6.174 1.00 74.43 C ATOM 1689 O LEU A 103 13.036 -13.102 -5.956 1.00 31.34 O ATOM 1690 CB LEU A 103 11.420 -12.051 -3.832 1.00 4.43 C ATOM 1691 CG LEU A 103 12.377 -11.121 -3.043 1.00 25.43 C ATOM 1692 CD1 LEU A 103 13.835 -11.324 -3.446 1.00 71.41 C ATOM 1693 CD2 LEU A 103 11.976 -9.658 -3.226 1.00 74.04 C ATOM 0 H LEU A 103 10.282 -13.351 -6.227 1.00 31.40 H new ATOM 0 HA LEU A 103 11.012 -10.629 -5.361 1.00 51.12 H new ATOM 0 HB2 LEU A 103 10.453 -12.051 -3.328 1.00 4.43 H new ATOM 0 HB3 LEU A 103 11.809 -13.068 -3.775 1.00 4.43 H new ATOM 0 HG LEU A 103 12.288 -11.386 -1.989 1.00 25.43 H new ATOM 0 HD11 LEU A 103 14.469 -10.652 -2.868 1.00 71.41 H new ATOM 0 HD12 LEU A 103 14.126 -12.356 -3.250 1.00 71.41 H new ATOM 0 HD13 LEU A 103 13.952 -11.109 -4.508 1.00 71.41 H new ATOM 0 HD21 LEU A 103 12.659 -9.021 -2.665 1.00 74.04 H new ATOM 0 HD22 LEU A 103 12.023 -9.398 -4.283 1.00 74.04 H new ATOM 0 HD23 LEU A 103 10.960 -9.511 -2.861 1.00 74.04 H new