USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 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 150:sc= 1.12 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -147:sc= 1.11 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 18 SER OG : rot 180:sc= 0.00875 USER MOD Single : A 21 SER OG : rot 76:sc= 1 USER MOD Single : A 22 ASN : amide:sc= -0.0588 K(o=-0.059,f=-0.58) USER MOD Single : A 27 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.0049) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 130:sc= -2.15! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0292 K(o=-0.029,f=-2!) USER MOD Single : A 49 TYR OH : rot 15:sc= -0.158 USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 0.626 (180deg=0.332) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0622 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.931 F(o=-3.3!,f=-0.93) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0146) USER MOD Single : A 67 LYS NZ :NH3+ 145:sc= -1.55! (180deg=-3.4!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -39:sc= 0.489 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -3.05! C(o=-3!,f=-6.6!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 TYR OH : rot 43:sc= 0.184 USER MOD Single : B 396 LYS NZ :NH3+ -108:sc= 0.839 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -5.992 10.253 -9.529 1.00 0.00 N ATOM 140 CA PHE A 14 -5.199 11.219 -8.784 1.00 0.00 C ATOM 141 C PHE A 14 -5.488 11.089 -7.294 1.00 0.00 C ATOM 142 O PHE A 14 -4.571 10.959 -6.482 1.00 0.00 O ATOM 143 CB PHE A 14 -5.501 12.646 -9.252 1.00 0.00 C ATOM 144 CG PHE A 14 -5.066 12.921 -10.662 1.00 0.00 C ATOM 145 CD1 PHE A 14 -3.719 12.946 -10.989 1.00 0.00 C ATOM 146 CD2 PHE A 14 -5.998 13.149 -11.660 1.00 0.00 C ATOM 147 CE1 PHE A 14 -3.313 13.193 -12.284 1.00 0.00 C ATOM 148 CE2 PHE A 14 -5.597 13.398 -12.959 1.00 0.00 C ATOM 149 CZ PHE A 14 -4.252 13.420 -13.269 1.00 0.00 C ATOM 0 HA PHE A 14 -4.144 11.013 -8.966 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.573 12.827 -9.169 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.006 13.351 -8.584 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.980 12.770 -10.222 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.051 13.132 -11.421 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.261 13.209 -12.527 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.333 13.575 -13.729 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.935 13.615 -14.283 1.00 0.00 H new ATOM 159 N SER A 15 -6.773 11.091 -6.950 1.00 0.00 N ATOM 160 CA SER A 15 -7.207 10.977 -5.562 1.00 0.00 C ATOM 161 C SER A 15 -6.732 9.661 -4.950 1.00 0.00 C ATOM 162 O SER A 15 -6.328 9.619 -3.786 1.00 0.00 O ATOM 163 CB SER A 15 -8.731 11.080 -5.487 1.00 0.00 C ATOM 164 OG SER A 15 -9.211 12.099 -6.353 1.00 0.00 O ATOM 0 H SER A 15 -7.537 11.171 -7.621 1.00 0.00 H new ATOM 0 HA SER A 15 -6.765 11.793 -4.990 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.178 10.124 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.036 11.294 -4.463 1.00 0.00 H new ATOM 0 HG SER A 15 -10.188 12.147 -6.291 1.00 0.00 H new ATOM 170 N GLU A 16 -6.785 8.590 -5.742 1.00 0.00 N ATOM 171 CA GLU A 16 -6.337 7.275 -5.300 1.00 0.00 C ATOM 172 C GLU A 16 -4.901 7.360 -4.817 1.00 0.00 C ATOM 173 O GLU A 16 -4.569 6.919 -3.719 1.00 0.00 O ATOM 174 CB GLU A 16 -6.413 6.269 -6.445 1.00 0.00 C ATOM 175 CG GLU A 16 -7.799 5.706 -6.692 1.00 0.00 C ATOM 176 CD GLU A 16 -8.822 6.771 -7.019 1.00 0.00 C ATOM 177 OE1 GLU A 16 -8.513 7.674 -7.820 1.00 0.00 O ATOM 178 OE2 GLU A 16 -9.937 6.707 -6.468 1.00 0.00 O ATOM 0 H GLU A 16 -7.137 8.611 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.987 6.945 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.061 6.749 -7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.731 5.445 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.753 4.990 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.124 5.157 -5.808 1.00 0.00 H new ATOM 185 N TYR A 17 -4.063 7.943 -5.659 1.00 0.00 N ATOM 186 CA TYR A 17 -2.656 8.114 -5.352 1.00 0.00 C ATOM 187 C TYR A 17 -2.478 8.921 -4.076 1.00 0.00 C ATOM 188 O TYR A 17 -1.713 8.534 -3.206 1.00 0.00 O ATOM 189 CB TYR A 17 -1.940 8.803 -6.510 1.00 0.00 C ATOM 190 CG TYR A 17 -1.769 7.921 -7.722 1.00 0.00 C ATOM 191 CD1 TYR A 17 -2.739 7.882 -8.713 1.00 0.00 C ATOM 192 CD2 TYR A 17 -0.639 7.129 -7.876 1.00 0.00 C ATOM 193 CE1 TYR A 17 -2.589 7.079 -9.823 1.00 0.00 C ATOM 194 CE2 TYR A 17 -0.482 6.322 -8.985 1.00 0.00 C ATOM 195 CZ TYR A 17 -1.460 6.303 -9.954 1.00 0.00 C ATOM 196 OH TYR A 17 -1.307 5.506 -11.063 1.00 0.00 O ATOM 0 H TYR A 17 -4.339 8.309 -6.570 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.218 7.127 -5.202 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.500 9.694 -6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.959 9.138 -6.173 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.626 8.490 -8.613 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.129 7.145 -7.117 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.353 7.059 -10.586 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.401 5.710 -9.092 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.353 5.409 -11.267 1.00 0.00 H new ATOM 206 N SER A 18 -3.208 10.024 -3.956 1.00 0.00 N ATOM 207 CA SER A 18 -3.120 10.875 -2.775 1.00 0.00 C ATOM 208 C SER A 18 -3.408 10.077 -1.499 1.00 0.00 C ATOM 209 O SER A 18 -2.669 10.171 -0.519 1.00 0.00 O ATOM 210 CB SER A 18 -4.103 12.040 -2.898 1.00 0.00 C ATOM 211 OG SER A 18 -4.054 12.614 -4.195 1.00 0.00 O ATOM 0 H SER A 18 -3.868 10.350 -4.662 1.00 0.00 H new ATOM 0 HA SER A 18 -2.104 11.265 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.114 11.690 -2.689 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.868 12.799 -2.152 1.00 0.00 H new ATOM 0 HG SER A 18 -4.693 13.355 -4.249 1.00 0.00 H new ATOM 217 N ARG A 19 -4.466 9.271 -1.532 1.00 0.00 N ATOM 218 CA ARG A 19 -4.854 8.461 -0.379 1.00 0.00 C ATOM 219 C ARG A 19 -3.823 7.375 -0.090 1.00 0.00 C ATOM 220 O ARG A 19 -3.608 7.000 1.063 1.00 0.00 O ATOM 221 CB ARG A 19 -6.223 7.820 -0.622 1.00 0.00 C ATOM 222 CG ARG A 19 -7.352 8.827 -0.740 1.00 0.00 C ATOM 223 CD ARG A 19 -7.595 9.548 0.576 1.00 0.00 C ATOM 224 NE ARG A 19 -8.321 10.803 0.384 1.00 0.00 N ATOM 225 CZ ARG A 19 -9.226 11.280 1.238 1.00 0.00 C ATOM 226 NH1 ARG A 19 -9.570 10.586 2.314 1.00 0.00 N ATOM 227 NH2 ARG A 19 -9.791 12.459 1.011 1.00 0.00 N ATOM 0 H ARG A 19 -5.071 9.161 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.908 9.120 0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.180 7.226 -1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.444 7.133 0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.113 9.554 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.264 8.318 -1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.160 8.900 1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.640 9.751 1.060 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.122 11.347 -0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.141 9.678 2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.264 10.960 2.962 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.532 12.998 0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.484 12.826 1.663 1.00 0.00 H new ATOM 241 N ILE A 20 -3.196 6.868 -1.139 1.00 0.00 N ATOM 242 CA ILE A 20 -2.192 5.823 -0.997 1.00 0.00 C ATOM 243 C ILE A 20 -0.856 6.410 -0.527 1.00 0.00 C ATOM 244 O ILE A 20 -0.279 5.945 0.454 1.00 0.00 O ATOM 245 CB ILE A 20 -2.009 5.036 -2.325 1.00 0.00 C ATOM 246 CG1 ILE A 20 -2.906 3.794 -2.347 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.561 4.625 -2.540 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.382 4.094 -2.490 1.00 0.00 C ATOM 0 H ILE A 20 -3.364 7.163 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.544 5.124 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.298 5.704 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.596 3.151 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.749 3.231 -1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.474 4.077 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.068 5.515 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.237 3.988 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.944 3.160 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.711 4.710 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.556 4.629 -3.424 1.00 0.00 H new ATOM 260 N SER A 21 -0.386 7.439 -1.218 1.00 0.00 N ATOM 261 CA SER A 21 0.873 8.090 -0.879 1.00 0.00 C ATOM 262 C SER A 21 0.839 8.642 0.543 1.00 0.00 C ATOM 263 O SER A 21 1.835 8.586 1.263 1.00 0.00 O ATOM 264 CB SER A 21 1.175 9.220 -1.866 1.00 0.00 C ATOM 265 OG SER A 21 1.054 8.779 -3.209 1.00 0.00 O ATOM 0 H SER A 21 -0.862 7.844 -2.024 1.00 0.00 H new ATOM 0 HA SER A 21 1.663 7.341 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.491 10.051 -1.691 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.184 9.596 -1.694 1.00 0.00 H new ATOM 0 HG SER A 21 0.106 8.702 -3.444 1.00 0.00 H new ATOM 271 N ASN A 22 -0.312 9.163 0.948 1.00 0.00 N ATOM 272 CA ASN A 22 -0.469 9.720 2.286 1.00 0.00 C ATOM 273 C ASN A 22 -0.182 8.669 3.350 1.00 0.00 C ATOM 274 O ASN A 22 0.411 8.970 4.382 1.00 0.00 O ATOM 275 CB ASN A 22 -1.881 10.274 2.480 1.00 0.00 C ATOM 276 CG ASN A 22 -1.925 11.789 2.411 1.00 0.00 C ATOM 277 OD1 ASN A 22 -1.123 12.418 1.716 1.00 0.00 O ATOM 278 ND2 ASN A 22 -2.863 12.386 3.129 1.00 0.00 N ATOM 0 H ASN A 22 -1.151 9.212 0.370 1.00 0.00 H new ATOM 0 HA ASN A 22 0.249 10.533 2.392 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.539 9.859 1.716 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.267 9.946 3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.942 13.403 3.121 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.507 11.829 3.691 1.00 0.00 H new ATOM 285 N LEU A 23 -0.576 7.431 3.077 1.00 0.00 N ATOM 286 CA LEU A 23 -0.383 6.332 4.018 1.00 0.00 C ATOM 287 C LEU A 23 1.086 6.140 4.388 1.00 0.00 C ATOM 288 O LEU A 23 1.424 6.045 5.566 1.00 0.00 O ATOM 289 CB LEU A 23 -0.953 5.026 3.436 1.00 0.00 C ATOM 290 CG LEU A 23 -0.054 3.787 3.581 1.00 0.00 C ATOM 291 CD1 LEU A 23 -0.859 2.579 4.005 1.00 0.00 C ATOM 292 CD2 LEU A 23 0.675 3.496 2.281 1.00 0.00 C ATOM 0 H LEU A 23 -1.034 7.161 2.206 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.920 6.591 4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.907 4.819 3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.160 5.181 2.377 1.00 0.00 H new ATOM 0 HG LEU A 23 0.682 4.000 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.199 1.717 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.336 2.778 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.623 2.370 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.305 2.616 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.052 3.312 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.295 4.351 2.013 1.00 0.00 H new ATOM 304 N ILE A 24 1.959 6.106 3.387 1.00 0.00 N ATOM 305 CA ILE A 24 3.370 5.880 3.631 1.00 0.00 C ATOM 306 C ILE A 24 4.013 7.086 4.300 1.00 0.00 C ATOM 307 O ILE A 24 4.841 6.935 5.201 1.00 0.00 O ATOM 308 CB ILE A 24 4.124 5.495 2.333 1.00 0.00 C ATOM 309 CG1 ILE A 24 5.545 5.064 2.655 1.00 0.00 C ATOM 310 CG2 ILE A 24 4.148 6.631 1.327 1.00 0.00 C ATOM 311 CD1 ILE A 24 5.616 3.833 3.521 1.00 0.00 C ATOM 0 H ILE A 24 1.712 6.232 2.406 1.00 0.00 H new ATOM 0 HA ILE A 24 3.448 5.035 4.315 1.00 0.00 H new ATOM 0 HB ILE A 24 3.582 4.663 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.079 4.875 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.060 5.883 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.687 6.315 0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.127 6.901 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.648 7.495 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.659 3.582 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.110 4.024 4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.130 3.001 3.011 1.00 0.00 H new ATOM 323 N VAL A 25 3.599 8.274 3.890 1.00 0.00 N ATOM 324 CA VAL A 25 4.129 9.501 4.458 1.00 0.00 C ATOM 325 C VAL A 25 3.711 9.624 5.921 1.00 0.00 C ATOM 326 O VAL A 25 4.534 9.893 6.794 1.00 0.00 O ATOM 327 CB VAL A 25 3.652 10.737 3.667 1.00 0.00 C ATOM 328 CG1 VAL A 25 4.228 12.012 4.249 1.00 0.00 C ATOM 329 CG2 VAL A 25 4.029 10.607 2.201 1.00 0.00 C ATOM 0 H VAL A 25 2.896 8.414 3.164 1.00 0.00 H new ATOM 0 HA VAL A 25 5.216 9.459 4.395 1.00 0.00 H new ATOM 0 HB VAL A 25 2.566 10.789 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.875 12.867 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.907 12.116 5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.316 11.971 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.685 11.487 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.112 10.524 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.561 9.716 1.782 1.00 0.00 H new ATOM 339 N LEU A 26 2.432 9.388 6.180 1.00 0.00 N ATOM 340 CA LEU A 26 1.888 9.462 7.532 1.00 0.00 C ATOM 341 C LEU A 26 2.473 8.370 8.420 1.00 0.00 C ATOM 342 O LEU A 26 2.772 8.602 9.593 1.00 0.00 O ATOM 343 CB LEU A 26 0.368 9.345 7.485 1.00 0.00 C ATOM 344 CG LEU A 26 -0.352 10.593 6.982 1.00 0.00 C ATOM 345 CD1 LEU A 26 -1.733 10.231 6.477 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.439 11.636 8.083 1.00 0.00 C ATOM 0 H LEU A 26 1.746 9.142 5.466 1.00 0.00 H new ATOM 0 HA LEU A 26 2.162 10.426 7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.101 8.505 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.004 9.110 8.485 1.00 0.00 H new ATOM 0 HG LEU A 26 0.218 11.017 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.237 11.129 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.645 9.516 5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.312 9.787 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.955 12.519 7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.990 11.226 8.930 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.566 11.912 8.403 1.00 0.00 H new ATOM 358 N HIS A 27 2.622 7.176 7.856 1.00 0.00 N ATOM 359 CA HIS A 27 3.189 6.048 8.586 1.00 0.00 C ATOM 360 C HIS A 27 4.620 6.364 9.004 1.00 0.00 C ATOM 361 O HIS A 27 5.031 6.065 10.123 1.00 0.00 O ATOM 362 CB HIS A 27 3.153 4.772 7.730 1.00 0.00 C ATOM 363 CG HIS A 27 3.769 3.572 8.394 1.00 0.00 C ATOM 364 ND1 HIS A 27 4.984 3.040 8.012 1.00 0.00 N ATOM 365 CD2 HIS A 27 3.336 2.804 9.424 1.00 0.00 C ATOM 366 CE1 HIS A 27 5.265 2.000 8.775 1.00 0.00 C ATOM 367 NE2 HIS A 27 4.284 1.838 9.638 1.00 0.00 N ATOM 0 H HIS A 27 2.357 6.964 6.894 1.00 0.00 H new ATOM 0 HA HIS A 27 2.588 5.876 9.479 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.117 4.544 7.480 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.673 4.962 6.791 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.415 2.930 9.974 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.150 1.386 8.703 1.00 0.00 H new ATOM 0 HE2 HIS A 27 4.237 1.110 10.351 1.00 0.00 H new ATOM 376 N LEU A 28 5.368 6.980 8.098 1.00 0.00 N ATOM 377 CA LEU A 28 6.749 7.343 8.369 1.00 0.00 C ATOM 378 C LEU A 28 6.815 8.463 9.401 1.00 0.00 C ATOM 379 O LEU A 28 7.598 8.396 10.343 1.00 0.00 O ATOM 380 CB LEU A 28 7.465 7.759 7.080 1.00 0.00 C ATOM 381 CG LEU A 28 8.811 7.071 6.838 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.815 7.472 7.909 1.00 0.00 C ATOM 383 CD2 LEU A 28 8.639 5.560 6.811 1.00 0.00 C ATOM 0 H LEU A 28 5.039 7.238 7.168 1.00 0.00 H new ATOM 0 HA LEU A 28 7.257 6.468 8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.810 7.550 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.624 8.837 7.102 1.00 0.00 H new ATOM 0 HG LEU A 28 9.193 7.393 5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.766 6.974 7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.960 8.552 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.439 7.178 8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.606 5.087 6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.236 5.223 7.766 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.952 5.286 6.010 1.00 0.00 H new ATOM 395 N ARG A 29 5.978 9.481 9.228 1.00 0.00 N ATOM 396 CA ARG A 29 5.938 10.613 10.154 1.00 0.00 C ATOM 397 C ARG A 29 5.621 10.149 11.573 1.00 0.00 C ATOM 398 O ARG A 29 6.112 10.716 12.550 1.00 0.00 O ATOM 399 CB ARG A 29 4.900 11.640 9.698 1.00 0.00 C ATOM 400 CG ARG A 29 5.324 12.427 8.470 1.00 0.00 C ATOM 401 CD ARG A 29 4.198 13.301 7.949 1.00 0.00 C ATOM 402 NE ARG A 29 4.585 14.025 6.740 1.00 0.00 N ATOM 403 CZ ARG A 29 3.982 15.128 6.303 1.00 0.00 C ATOM 404 NH1 ARG A 29 2.966 15.651 6.982 1.00 0.00 N ATOM 405 NH2 ARG A 29 4.391 15.703 5.178 1.00 0.00 N ATOM 0 H ARG A 29 5.316 9.547 8.455 1.00 0.00 H new ATOM 0 HA ARG A 29 6.923 11.079 10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.962 11.127 9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.705 12.334 10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.184 13.049 8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.642 11.738 7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.326 12.682 7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.904 14.013 8.720 1.00 0.00 H new ATOM 0 HE ARG A 29 5.368 13.662 6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.645 15.207 7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.507 16.497 6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.165 15.299 4.651 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.931 16.548 4.841 1.00 0.00 H new ATOM 419 N LYS A 30 4.799 9.116 11.679 1.00 0.00 N ATOM 420 CA LYS A 30 4.423 8.569 12.973 1.00 0.00 C ATOM 421 C LYS A 30 5.592 7.820 13.613 1.00 0.00 C ATOM 422 O LYS A 30 5.903 8.019 14.790 1.00 0.00 O ATOM 423 CB LYS A 30 3.226 7.628 12.820 1.00 0.00 C ATOM 424 CG LYS A 30 2.525 7.308 14.132 1.00 0.00 C ATOM 425 CD LYS A 30 1.405 6.295 13.936 1.00 0.00 C ATOM 426 CE LYS A 30 1.950 4.895 13.695 1.00 0.00 C ATOM 427 NZ LYS A 30 0.864 3.882 13.600 1.00 0.00 N ATOM 0 H LYS A 30 4.379 8.639 10.882 1.00 0.00 H new ATOM 0 HA LYS A 30 4.148 9.399 13.624 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.507 8.078 12.135 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.563 6.698 12.363 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.249 6.917 14.846 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.117 8.224 14.560 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.762 6.289 14.816 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.786 6.595 13.091 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.534 4.887 12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.627 4.625 14.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.279 2.943 13.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.321 3.870 14.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.232 4.124 12.811 1.00 0.00 H new ATOM 441 N VAL A 31 6.255 6.972 12.831 1.00 0.00 N ATOM 442 CA VAL A 31 7.371 6.185 13.345 1.00 0.00 C ATOM 443 C VAL A 31 8.623 7.037 13.565 1.00 0.00 C ATOM 444 O VAL A 31 9.386 6.781 14.492 1.00 0.00 O ATOM 445 CB VAL A 31 7.715 4.977 12.437 1.00 0.00 C ATOM 446 CG1 VAL A 31 6.507 4.069 12.277 1.00 0.00 C ATOM 447 CG2 VAL A 31 8.234 5.423 11.078 1.00 0.00 C ATOM 0 H VAL A 31 6.041 6.813 11.846 1.00 0.00 H new ATOM 0 HA VAL A 31 7.037 5.801 14.309 1.00 0.00 H new ATOM 0 HB VAL A 31 8.513 4.416 12.924 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.767 3.226 11.636 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.198 3.699 13.255 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.688 4.629 11.825 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.464 4.547 10.471 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.474 6.022 10.577 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.137 6.019 11.211 1.00 0.00 H new ATOM 457 N GLU A 32 8.833 8.056 12.734 1.00 0.00 N ATOM 458 CA GLU A 32 10.011 8.914 12.869 1.00 0.00 C ATOM 459 C GLU A 32 9.918 9.770 14.128 1.00 0.00 C ATOM 460 O GLU A 32 10.929 10.115 14.732 1.00 0.00 O ATOM 461 CB GLU A 32 10.194 9.809 11.635 1.00 0.00 C ATOM 462 CG GLU A 32 9.163 10.918 11.514 1.00 0.00 C ATOM 463 CD GLU A 32 9.629 12.061 10.637 1.00 0.00 C ATOM 464 OE1 GLU A 32 9.681 11.890 9.402 1.00 0.00 O ATOM 465 OE2 GLU A 32 9.941 13.141 11.179 1.00 0.00 O ATOM 0 H GLU A 32 8.210 8.307 11.966 1.00 0.00 H new ATOM 0 HA GLU A 32 10.882 8.263 12.951 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.188 10.254 11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.151 9.188 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.240 10.506 11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.930 11.301 12.508 1.00 0.00 H new ATOM 472 N GLU A 33 8.701 10.084 14.527 1.00 0.00 N ATOM 473 CA GLU A 33 8.472 10.901 15.702 1.00 0.00 C ATOM 474 C GLU A 33 8.678 10.093 16.979 1.00 0.00 C ATOM 475 O GLU A 33 9.261 10.580 17.949 1.00 0.00 O ATOM 476 CB GLU A 33 7.053 11.473 15.660 1.00 0.00 C ATOM 477 CG GLU A 33 6.713 12.386 16.824 1.00 0.00 C ATOM 478 CD GLU A 33 5.375 13.068 16.644 1.00 0.00 C ATOM 479 OE1 GLU A 33 5.242 13.874 15.700 1.00 0.00 O ATOM 480 OE2 GLU A 33 4.451 12.800 17.443 1.00 0.00 O ATOM 0 H GLU A 33 7.851 9.783 14.051 1.00 0.00 H new ATOM 0 HA GLU A 33 9.193 11.719 15.703 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.924 12.026 14.730 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.341 10.648 15.641 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.702 11.806 17.747 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.492 13.141 16.931 1.00 0.00 H new ATOM 487 N GLU A 34 8.227 8.847 16.962 1.00 0.00 N ATOM 488 CA GLU A 34 8.326 7.989 18.134 1.00 0.00 C ATOM 489 C GLU A 34 9.639 7.215 18.207 1.00 0.00 C ATOM 490 O GLU A 34 10.489 7.501 19.051 1.00 0.00 O ATOM 491 CB GLU A 34 7.151 7.011 18.158 1.00 0.00 C ATOM 492 CG GLU A 34 5.830 7.662 18.524 1.00 0.00 C ATOM 493 CD GLU A 34 5.858 8.281 19.906 1.00 0.00 C ATOM 494 OE1 GLU A 34 5.706 7.535 20.896 1.00 0.00 O ATOM 495 OE2 GLU A 34 6.045 9.510 20.011 1.00 0.00 O ATOM 0 H GLU A 34 7.790 8.408 16.152 1.00 0.00 H new ATOM 0 HA GLU A 34 8.298 8.644 19.005 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.057 6.543 17.178 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.365 6.215 18.872 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.590 8.430 17.789 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.035 6.917 18.478 1.00 0.00 H new ATOM 502 N GLU A 35 9.823 6.261 17.305 1.00 0.00 N ATOM 503 CA GLU A 35 11.014 5.409 17.324 1.00 0.00 C ATOM 504 C GLU A 35 12.095 5.898 16.363 1.00 0.00 C ATOM 505 O GLU A 35 13.132 5.246 16.205 1.00 0.00 O ATOM 506 CB GLU A 35 10.622 3.975 16.982 1.00 0.00 C ATOM 507 CG GLU A 35 9.196 3.625 17.383 1.00 0.00 C ATOM 508 CD GLU A 35 9.131 2.589 18.486 1.00 0.00 C ATOM 509 OE1 GLU A 35 9.508 2.912 19.634 1.00 0.00 O ATOM 510 OE2 GLU A 35 8.699 1.449 18.212 1.00 0.00 O ATOM 0 H GLU A 35 9.168 6.054 16.551 1.00 0.00 H new ATOM 0 HA GLU A 35 11.434 5.453 18.329 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.738 3.821 15.909 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.309 3.290 17.479 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.684 4.530 17.711 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.659 3.253 16.510 1.00 0.00 H new ATOM 517 N ASP A 36 11.841 7.041 15.734 1.00 0.00 N ATOM 518 CA ASP A 36 12.775 7.653 14.785 1.00 0.00 C ATOM 519 C ASP A 36 13.063 6.738 13.599 1.00 0.00 C ATOM 520 O ASP A 36 14.188 6.271 13.424 1.00 0.00 O ATOM 521 CB ASP A 36 14.084 8.050 15.473 1.00 0.00 C ATOM 522 CG ASP A 36 14.048 9.464 16.011 1.00 0.00 C ATOM 523 OD1 ASP A 36 14.207 10.415 15.217 1.00 0.00 O ATOM 524 OD2 ASP A 36 13.856 9.632 17.234 1.00 0.00 O ATOM 0 H ASP A 36 10.981 7.573 15.866 1.00 0.00 H new ATOM 0 HA ASP A 36 12.292 8.554 14.406 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.286 7.358 16.291 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.907 7.955 14.765 1.00 0.00 H new ATOM 529 N GLU A 37 12.027 6.499 12.794 1.00 0.00 N ATOM 530 CA GLU A 37 12.121 5.662 11.594 1.00 0.00 C ATOM 531 C GLU A 37 12.331 4.189 11.948 1.00 0.00 C ATOM 532 O GLU A 37 13.445 3.749 12.228 1.00 0.00 O ATOM 533 CB GLU A 37 13.231 6.159 10.658 1.00 0.00 C ATOM 534 CG GLU A 37 12.928 7.508 10.025 1.00 0.00 C ATOM 535 CD GLU A 37 14.104 8.462 10.098 1.00 0.00 C ATOM 536 OE1 GLU A 37 14.939 8.457 9.171 1.00 0.00 O ATOM 537 OE2 GLU A 37 14.199 9.225 11.080 1.00 0.00 O ATOM 0 H GLU A 37 11.095 6.881 12.955 1.00 0.00 H new ATOM 0 HA GLU A 37 11.170 5.744 11.068 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.164 6.230 11.218 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.388 5.423 9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.648 7.361 8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.070 7.956 10.526 1.00 0.00 H new ATOM 544 N SER A 38 11.241 3.438 11.926 1.00 0.00 N ATOM 545 CA SER A 38 11.274 2.015 12.237 1.00 0.00 C ATOM 546 C SER A 38 11.068 1.175 10.981 1.00 0.00 C ATOM 547 O SER A 38 10.757 -0.014 11.066 1.00 0.00 O ATOM 548 CB SER A 38 10.181 1.699 13.250 1.00 0.00 C ATOM 549 OG SER A 38 10.211 2.625 14.318 1.00 0.00 O ATOM 0 H SER A 38 10.314 3.793 11.694 1.00 0.00 H new ATOM 0 HA SER A 38 12.252 1.771 12.653 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.206 1.729 12.763 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.315 0.688 13.634 1.00 0.00 H new ATOM 0 HG SER A 38 9.311 2.983 14.466 1.00 0.00 H new ATOM 555 N ALA A 39 11.236 1.811 9.821 1.00 0.00 N ATOM 556 CA ALA A 39 11.065 1.142 8.533 1.00 0.00 C ATOM 557 C ALA A 39 9.638 0.612 8.381 1.00 0.00 C ATOM 558 O ALA A 39 8.716 1.086 9.057 1.00 0.00 O ATOM 559 CB ALA A 39 12.088 0.025 8.372 1.00 0.00 C ATOM 0 H ALA A 39 11.492 2.796 9.748 1.00 0.00 H new ATOM 0 HA ALA A 39 11.234 1.871 7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.946 -0.462 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.094 0.442 8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.958 -0.706 9.170 1.00 0.00 H new ATOM 565 N LEU A 40 9.451 -0.349 7.484 1.00 0.00 N ATOM 566 CA LEU A 40 8.137 -0.931 7.249 1.00 0.00 C ATOM 567 C LEU A 40 8.252 -2.253 6.501 1.00 0.00 C ATOM 568 O LEU A 40 9.325 -2.611 6.010 1.00 0.00 O ATOM 569 CB LEU A 40 7.267 0.036 6.440 1.00 0.00 C ATOM 570 CG LEU A 40 7.846 0.449 5.084 1.00 0.00 C ATOM 571 CD1 LEU A 40 6.811 0.269 3.987 1.00 0.00 C ATOM 572 CD2 LEU A 40 8.333 1.890 5.129 1.00 0.00 C ATOM 0 H LEU A 40 10.195 -0.742 6.907 1.00 0.00 H new ATOM 0 HA LEU A 40 7.674 -1.115 8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.293 -0.425 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.099 0.934 7.035 1.00 0.00 H new ATOM 0 HG LEU A 40 8.697 -0.194 4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.239 0.567 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.510 -0.777 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.940 0.888 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.741 2.167 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.499 2.548 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.108 1.989 5.889 1.00 0.00 H new ATOM 584 N LYS A 41 7.141 -2.973 6.427 1.00 0.00 N ATOM 585 CA LYS A 41 7.094 -4.238 5.718 1.00 0.00 C ATOM 586 C LYS A 41 6.290 -4.062 4.431 1.00 0.00 C ATOM 587 O LYS A 41 5.247 -3.404 4.433 1.00 0.00 O ATOM 588 CB LYS A 41 6.476 -5.326 6.597 1.00 0.00 C ATOM 589 CG LYS A 41 6.640 -6.731 6.038 1.00 0.00 C ATOM 590 CD LYS A 41 5.805 -7.746 6.804 1.00 0.00 C ATOM 591 CE LYS A 41 6.289 -7.915 8.238 1.00 0.00 C ATOM 592 NZ LYS A 41 5.553 -8.996 8.942 1.00 0.00 N ATOM 0 H LYS A 41 6.256 -2.698 6.853 1.00 0.00 H new ATOM 0 HA LYS A 41 8.108 -4.549 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.931 -5.283 7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.414 -5.117 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.349 -6.740 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.691 -7.019 6.081 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.762 -7.429 6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.844 -8.708 6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.355 -8.141 8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.162 -6.977 8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.910 -9.082 9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.539 -8.768 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.695 -9.896 8.441 1.00 0.00 H new ATOM 606 N ARG A 42 6.777 -4.654 3.349 1.00 0.00 N ATOM 607 CA ARG A 42 6.144 -4.548 2.034 1.00 0.00 C ATOM 608 C ARG A 42 4.657 -4.911 2.054 1.00 0.00 C ATOM 609 O ARG A 42 3.805 -4.074 1.761 1.00 0.00 O ATOM 610 CB ARG A 42 6.893 -5.443 1.044 1.00 0.00 C ATOM 611 CG ARG A 42 6.406 -5.334 -0.391 1.00 0.00 C ATOM 612 CD ARG A 42 7.450 -5.854 -1.363 1.00 0.00 C ATOM 613 NE ARG A 42 6.924 -6.000 -2.720 1.00 0.00 N ATOM 614 CZ ARG A 42 7.688 -6.104 -3.806 1.00 0.00 C ATOM 615 NH1 ARG A 42 9.007 -5.998 -3.707 1.00 0.00 N ATOM 616 NH2 ARG A 42 7.128 -6.286 -4.990 1.00 0.00 N ATOM 0 H ARG A 42 7.623 -5.223 3.354 1.00 0.00 H new ATOM 0 HA ARG A 42 6.202 -3.504 1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.953 -5.192 1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.801 -6.480 1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.482 -5.899 -0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.175 -4.294 -0.622 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.301 -5.173 -1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.820 -6.818 -1.014 1.00 0.00 H new ATOM 0 HE ARG A 42 5.912 -6.024 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.439 -5.836 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.589 -6.078 -4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.113 -6.346 -5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.711 -6.366 -5.823 1.00 0.00 H new ATOM 630 N SER A 43 4.342 -6.148 2.411 1.00 0.00 N ATOM 631 CA SER A 43 2.955 -6.593 2.434 1.00 0.00 C ATOM 632 C SER A 43 2.180 -6.013 3.616 1.00 0.00 C ATOM 633 O SER A 43 0.977 -5.789 3.516 1.00 0.00 O ATOM 634 CB SER A 43 2.895 -8.118 2.464 1.00 0.00 C ATOM 635 OG SER A 43 3.863 -8.678 1.590 1.00 0.00 O ATOM 0 H SER A 43 5.022 -6.857 2.687 1.00 0.00 H new ATOM 0 HA SER A 43 2.480 -6.226 1.524 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.067 -8.473 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.899 -8.453 2.174 1.00 0.00 H new ATOM 0 HG SER A 43 3.809 -9.656 1.625 1.00 0.00 H new ATOM 641 N GLU A 44 2.871 -5.754 4.725 1.00 0.00 N ATOM 642 CA GLU A 44 2.221 -5.214 5.916 1.00 0.00 C ATOM 643 C GLU A 44 1.665 -3.819 5.658 1.00 0.00 C ATOM 644 O GLU A 44 0.543 -3.514 6.065 1.00 0.00 O ATOM 645 CB GLU A 44 3.196 -5.169 7.093 1.00 0.00 C ATOM 646 CG GLU A 44 2.604 -4.561 8.356 1.00 0.00 C ATOM 647 CD GLU A 44 3.648 -4.293 9.420 1.00 0.00 C ATOM 648 OE1 GLU A 44 4.710 -3.732 9.087 1.00 0.00 O ATOM 649 OE2 GLU A 44 3.409 -4.638 10.600 1.00 0.00 O ATOM 0 H GLU A 44 3.874 -5.908 4.823 1.00 0.00 H new ATOM 0 HA GLU A 44 1.393 -5.878 6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.534 -6.182 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.076 -4.595 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.100 -3.628 8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.846 -5.234 8.758 1.00 0.00 H new ATOM 656 N LEU A 45 2.451 -2.986 4.972 1.00 0.00 N ATOM 657 CA LEU A 45 2.052 -1.615 4.663 1.00 0.00 C ATOM 658 C LEU A 45 0.665 -1.574 4.037 1.00 0.00 C ATOM 659 O LEU A 45 -0.221 -0.863 4.509 1.00 0.00 O ATOM 660 CB LEU A 45 3.060 -0.964 3.714 1.00 0.00 C ATOM 661 CG LEU A 45 2.777 0.502 3.377 1.00 0.00 C ATOM 662 CD1 LEU A 45 3.000 1.383 4.599 1.00 0.00 C ATOM 663 CD2 LEU A 45 3.649 0.958 2.215 1.00 0.00 C ATOM 0 H LEU A 45 3.373 -3.241 4.619 1.00 0.00 H new ATOM 0 HA LEU A 45 2.028 -1.059 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.053 -1.034 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.085 -1.536 2.787 1.00 0.00 H new ATOM 0 HG LEU A 45 1.733 0.594 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.794 2.422 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.332 1.069 5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.034 1.290 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.436 2.002 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.700 0.853 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.437 0.346 1.339 1.00 0.00 H new ATOM 675 N VAL A 46 0.477 -2.342 2.977 1.00 0.00 N ATOM 676 CA VAL A 46 -0.811 -2.388 2.308 1.00 0.00 C ATOM 677 C VAL A 46 -1.828 -3.151 3.154 1.00 0.00 C ATOM 678 O VAL A 46 -2.986 -2.759 3.234 1.00 0.00 O ATOM 679 CB VAL A 46 -0.707 -3.003 0.886 1.00 0.00 C ATOM 680 CG1 VAL A 46 0.366 -4.071 0.813 1.00 0.00 C ATOM 681 CG2 VAL A 46 -2.045 -3.564 0.422 1.00 0.00 C ATOM 0 H VAL A 46 1.194 -2.938 2.564 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.154 -1.360 2.190 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.423 -2.194 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.407 -4.477 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.332 -3.635 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.132 -4.871 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.936 -3.986 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.372 -4.342 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.786 -2.765 0.399 1.00 0.00 H new ATOM 691 N ASN A 47 -1.372 -4.209 3.817 1.00 0.00 N ATOM 692 CA ASN A 47 -2.246 -5.044 4.652 1.00 0.00 C ATOM 693 C ASN A 47 -3.040 -4.215 5.662 1.00 0.00 C ATOM 694 O ASN A 47 -4.269 -4.308 5.717 1.00 0.00 O ATOM 695 CB ASN A 47 -1.437 -6.111 5.394 1.00 0.00 C ATOM 696 CG ASN A 47 -2.294 -7.276 5.857 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.202 -7.720 5.150 1.00 0.00 O ATOM 698 ND2 ASN A 47 -2.018 -7.773 7.052 1.00 0.00 N ATOM 0 H ASN A 47 -0.399 -4.514 3.796 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.952 -5.528 3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.647 -6.483 4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.950 -5.657 6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.565 -8.552 7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.258 -7.377 7.606 1.00 0.00 H new ATOM 705 N TRP A 48 -2.352 -3.391 6.452 1.00 0.00 N ATOM 706 CA TRP A 48 -3.041 -2.573 7.445 1.00 0.00 C ATOM 707 C TRP A 48 -3.855 -1.476 6.767 1.00 0.00 C ATOM 708 O TRP A 48 -4.880 -1.042 7.296 1.00 0.00 O ATOM 709 CB TRP A 48 -2.075 -2.002 8.504 1.00 0.00 C ATOM 710 CG TRP A 48 -1.145 -0.918 8.038 1.00 0.00 C ATOM 711 CD1 TRP A 48 0.155 -1.068 7.659 1.00 0.00 C ATOM 712 CD2 TRP A 48 -1.429 0.487 7.952 1.00 0.00 C ATOM 713 NE1 TRP A 48 0.695 0.148 7.323 1.00 0.00 N ATOM 714 CE2 TRP A 48 -0.260 1.120 7.490 1.00 0.00 C ATOM 715 CE3 TRP A 48 -2.562 1.271 8.208 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -0.190 2.495 7.281 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -2.490 2.635 7.998 1.00 0.00 C ATOM 718 CH2 TRP A 48 -1.312 3.235 7.538 1.00 0.00 C ATOM 0 H TRP A 48 -1.339 -3.274 6.425 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.733 -3.221 7.983 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.666 -1.613 9.333 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.475 -2.822 8.898 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.684 -2.009 7.628 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.650 0.304 7.002 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.475 0.817 8.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.718 2.961 6.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.357 3.248 8.192 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.288 4.304 7.383 1.00 0.00 H new ATOM 729 N TYR A 49 -3.402 -1.044 5.592 1.00 0.00 N ATOM 730 CA TYR A 49 -4.100 -0.021 4.824 1.00 0.00 C ATOM 731 C TYR A 49 -5.493 -0.514 4.479 1.00 0.00 C ATOM 732 O TYR A 49 -6.489 0.177 4.700 1.00 0.00 O ATOM 733 CB TYR A 49 -3.338 0.295 3.534 1.00 0.00 C ATOM 734 CG TYR A 49 -3.907 1.464 2.754 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.022 2.720 3.340 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.325 1.316 1.435 1.00 0.00 C ATOM 737 CE1 TYR A 49 -4.535 3.790 2.638 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.838 2.382 0.728 1.00 0.00 C ATOM 739 CZ TYR A 49 -4.941 3.619 1.334 1.00 0.00 C ATOM 740 OH TYR A 49 -5.449 4.687 0.635 1.00 0.00 O ATOM 0 H TYR A 49 -2.550 -1.390 5.151 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.165 0.886 5.424 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.298 0.508 3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.340 -0.589 2.897 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.704 2.860 4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.246 0.350 0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.618 4.758 3.109 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.158 2.251 -0.295 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.236 5.519 1.108 1.00 0.00 H new ATOM 750 N LEU A 50 -5.540 -1.729 3.949 1.00 0.00 N ATOM 751 CA LEU A 50 -6.789 -2.357 3.560 1.00 0.00 C ATOM 752 C LEU A 50 -7.701 -2.492 4.762 1.00 0.00 C ATOM 753 O LEU A 50 -8.858 -2.118 4.709 1.00 0.00 O ATOM 754 CB LEU A 50 -6.528 -3.744 2.966 1.00 0.00 C ATOM 755 CG LEU A 50 -5.300 -3.842 2.064 1.00 0.00 C ATOM 756 CD1 LEU A 50 -5.024 -5.289 1.687 1.00 0.00 C ATOM 757 CD2 LEU A 50 -5.476 -2.976 0.824 1.00 0.00 C ATOM 0 H LEU A 50 -4.714 -2.303 3.778 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.268 -1.730 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.417 -4.457 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.405 -4.048 2.394 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.437 -3.469 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.145 -5.336 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.845 -5.872 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.884 -5.697 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.591 -3.059 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.351 -3.312 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.613 -1.937 1.123 1.00 0.00 H new ATOM 769 N LYS A 51 -7.147 -2.989 5.857 1.00 0.00 N ATOM 770 CA LYS A 51 -7.907 -3.201 7.085 1.00 0.00 C ATOM 771 C LYS A 51 -8.605 -1.935 7.578 1.00 0.00 C ATOM 772 O LYS A 51 -9.651 -2.015 8.222 1.00 0.00 O ATOM 773 CB LYS A 51 -6.994 -3.746 8.177 1.00 0.00 C ATOM 774 CG LYS A 51 -7.060 -5.256 8.315 1.00 0.00 C ATOM 775 CD LYS A 51 -6.932 -5.951 6.969 1.00 0.00 C ATOM 776 CE LYS A 51 -7.741 -7.233 6.929 1.00 0.00 C ATOM 777 NZ LYS A 51 -9.197 -6.990 7.116 1.00 0.00 N ATOM 0 H LYS A 51 -6.165 -3.256 5.923 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.687 -3.926 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.967 -3.452 7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.264 -3.289 9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.263 -5.596 8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.004 -5.538 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.270 -5.281 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.884 -6.174 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.578 -7.733 5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.385 -7.909 7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.721 -7.872 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.373 -6.664 8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.517 -6.263 6.444 1.00 0.00 H new ATOM 791 N GLU A 52 -8.042 -0.776 7.273 1.00 0.00 N ATOM 792 CA GLU A 52 -8.631 0.483 7.711 1.00 0.00 C ATOM 793 C GLU A 52 -9.748 0.945 6.782 1.00 0.00 C ATOM 794 O GLU A 52 -10.763 1.477 7.231 1.00 0.00 O ATOM 795 CB GLU A 52 -7.558 1.570 7.808 1.00 0.00 C ATOM 796 CG GLU A 52 -6.485 1.285 8.847 1.00 0.00 C ATOM 797 CD GLU A 52 -7.061 0.991 10.216 1.00 0.00 C ATOM 798 OE1 GLU A 52 -7.657 1.909 10.824 1.00 0.00 O ATOM 799 OE2 GLU A 52 -6.920 -0.153 10.693 1.00 0.00 O ATOM 0 H GLU A 52 -7.185 -0.679 6.728 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.064 0.309 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.084 1.687 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.037 2.520 8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.885 0.436 8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.815 2.142 8.916 1.00 0.00 H new ATOM 806 N ILE A 53 -9.574 0.732 5.491 1.00 0.00 N ATOM 807 CA ILE A 53 -10.566 1.164 4.514 1.00 0.00 C ATOM 808 C ILE A 53 -11.608 0.082 4.228 1.00 0.00 C ATOM 809 O ILE A 53 -12.716 0.384 3.793 1.00 0.00 O ATOM 810 CB ILE A 53 -9.897 1.584 3.186 1.00 0.00 C ATOM 811 CG1 ILE A 53 -9.048 0.437 2.630 1.00 0.00 C ATOM 812 CG2 ILE A 53 -9.046 2.830 3.391 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.387 0.752 1.306 1.00 0.00 C ATOM 0 H ILE A 53 -8.760 0.265 5.092 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.073 2.022 4.955 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.678 1.816 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.278 0.181 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.678 -0.444 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.582 3.113 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.676 3.646 3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.271 2.624 4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.804 -0.108 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.151 0.978 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.729 1.613 1.424 1.00 0.00 H new ATOM 825 N GLU A 54 -11.270 -1.168 4.516 1.00 0.00 N ATOM 826 CA GLU A 54 -12.166 -2.299 4.245 1.00 0.00 C ATOM 827 C GLU A 54 -13.487 -2.186 4.993 1.00 0.00 C ATOM 828 O GLU A 54 -14.485 -2.778 4.588 1.00 0.00 O ATOM 829 CB GLU A 54 -11.484 -3.629 4.588 1.00 0.00 C ATOM 830 CG GLU A 54 -10.647 -4.191 3.448 1.00 0.00 C ATOM 831 CD GLU A 54 -9.947 -5.487 3.795 1.00 0.00 C ATOM 832 OE1 GLU A 54 -10.190 -6.025 4.896 1.00 0.00 O ATOM 833 OE2 GLU A 54 -9.160 -5.981 2.957 1.00 0.00 O ATOM 0 H GLU A 54 -10.380 -1.431 4.939 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.388 -2.272 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.847 -3.488 5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.245 -4.359 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.289 -4.355 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.901 -3.451 3.156 1.00 0.00 H new ATOM 840 N SER A 55 -13.498 -1.417 6.066 1.00 0.00 N ATOM 841 CA SER A 55 -14.697 -1.243 6.864 1.00 0.00 C ATOM 842 C SER A 55 -15.665 -0.235 6.238 1.00 0.00 C ATOM 843 O SER A 55 -16.878 -0.358 6.399 1.00 0.00 O ATOM 844 CB SER A 55 -14.307 -0.791 8.270 1.00 0.00 C ATOM 845 OG SER A 55 -12.895 -0.790 8.424 1.00 0.00 O ATOM 0 H SER A 55 -12.686 -0.901 6.406 1.00 0.00 H new ATOM 0 HA SER A 55 -15.214 -2.202 6.908 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.699 0.209 8.458 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.758 -1.454 9.009 1.00 0.00 H new ATOM 0 HG SER A 55 -12.665 -0.496 9.330 1.00 0.00 H new ATOM 851 N GLU A 56 -15.141 0.741 5.501 1.00 0.00 N ATOM 852 CA GLU A 56 -15.993 1.758 4.897 1.00 0.00 C ATOM 853 C GLU A 56 -16.358 1.387 3.471 1.00 0.00 C ATOM 854 O GLU A 56 -17.471 1.666 3.018 1.00 0.00 O ATOM 855 CB GLU A 56 -15.318 3.129 4.933 1.00 0.00 C ATOM 856 CG GLU A 56 -14.000 3.192 4.184 1.00 0.00 C ATOM 857 CD GLU A 56 -13.254 4.474 4.453 1.00 0.00 C ATOM 858 OE1 GLU A 56 -12.747 4.641 5.583 1.00 0.00 O ATOM 859 OE2 GLU A 56 -13.182 5.329 3.546 1.00 0.00 O ATOM 0 H GLU A 56 -14.145 0.848 5.310 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.911 1.811 5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.999 3.868 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.147 3.410 5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.379 2.344 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.187 3.100 3.114 1.00 0.00 H new ATOM 866 N ILE A 57 -15.419 0.757 2.772 1.00 0.00 N ATOM 867 CA ILE A 57 -15.637 0.346 1.394 1.00 0.00 C ATOM 868 C ILE A 57 -16.862 -0.547 1.301 1.00 0.00 C ATOM 869 O ILE A 57 -16.901 -1.627 1.892 1.00 0.00 O ATOM 870 CB ILE A 57 -14.427 -0.410 0.815 1.00 0.00 C ATOM 871 CG1 ILE A 57 -13.150 0.430 0.906 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.699 -0.803 -0.620 1.00 0.00 C ATOM 873 CD1 ILE A 57 -13.266 1.803 0.283 1.00 0.00 C ATOM 0 H ILE A 57 -14.498 0.521 3.141 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.784 1.255 0.811 1.00 0.00 H new ATOM 0 HB ILE A 57 -14.275 -1.312 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.876 0.541 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.338 -0.110 0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.837 -1.337 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.577 -1.448 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.879 0.093 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.319 2.332 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.508 1.703 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -14.054 2.365 0.784 1.00 0.00 H new ATOM 885 N ASP A 58 -17.850 -0.087 0.559 1.00 0.00 N ATOM 886 CA ASP A 58 -19.093 -0.826 0.387 1.00 0.00 C ATOM 887 C ASP A 58 -19.102 -1.554 -0.948 1.00 0.00 C ATOM 888 O ASP A 58 -19.786 -2.563 -1.117 1.00 0.00 O ATOM 889 CB ASP A 58 -20.290 0.120 0.468 1.00 0.00 C ATOM 890 CG ASP A 58 -21.604 -0.586 0.213 1.00 0.00 C ATOM 891 OD1 ASP A 58 -22.057 -1.343 1.098 1.00 0.00 O ATOM 892 OD2 ASP A 58 -22.194 -0.384 -0.866 1.00 0.00 O ATOM 0 H ASP A 58 -17.819 0.802 0.060 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.166 -1.561 1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.316 0.585 1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.165 0.922 -0.259 1.00 0.00 H new ATOM 897 N SER A 59 -18.329 -1.045 -1.890 1.00 0.00 N ATOM 898 CA SER A 59 -18.259 -1.642 -3.208 1.00 0.00 C ATOM 899 C SER A 59 -16.878 -2.220 -3.453 1.00 0.00 C ATOM 900 O SER A 59 -15.870 -1.542 -3.259 1.00 0.00 O ATOM 901 CB SER A 59 -18.606 -0.603 -4.273 1.00 0.00 C ATOM 902 OG SER A 59 -19.952 -0.175 -4.140 1.00 0.00 O ATOM 0 H SER A 59 -17.742 -0.220 -1.766 1.00 0.00 H new ATOM 0 HA SER A 59 -18.984 -2.454 -3.267 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.937 0.253 -4.184 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.451 -1.027 -5.265 1.00 0.00 H new ATOM 0 HG SER A 59 -20.153 0.491 -4.830 1.00 0.00 H new ATOM 908 N GLU A 60 -16.849 -3.471 -3.888 1.00 0.00 N ATOM 909 CA GLU A 60 -15.606 -4.173 -4.163 1.00 0.00 C ATOM 910 C GLU A 60 -14.700 -3.364 -5.080 1.00 0.00 C ATOM 911 O GLU A 60 -13.487 -3.358 -4.903 1.00 0.00 O ATOM 912 CB GLU A 60 -15.903 -5.527 -4.795 1.00 0.00 C ATOM 913 CG GLU A 60 -15.550 -6.695 -3.901 1.00 0.00 C ATOM 914 CD GLU A 60 -15.941 -8.027 -4.503 1.00 0.00 C ATOM 915 OE1 GLU A 60 -17.144 -8.362 -4.479 1.00 0.00 O ATOM 916 OE2 GLU A 60 -15.052 -8.745 -5.002 1.00 0.00 O ATOM 0 H GLU A 60 -17.687 -4.027 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.086 -4.317 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.962 -5.578 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.349 -5.613 -5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.477 -6.689 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.048 -6.575 -2.939 1.00 0.00 H new ATOM 923 N GLU A 61 -15.303 -2.668 -6.035 1.00 0.00 N ATOM 924 CA GLU A 61 -14.566 -1.848 -6.990 1.00 0.00 C ATOM 925 C GLU A 61 -13.617 -0.892 -6.275 1.00 0.00 C ATOM 926 O GLU A 61 -12.438 -0.811 -6.609 1.00 0.00 O ATOM 927 CB GLU A 61 -15.533 -1.041 -7.855 1.00 0.00 C ATOM 928 CG GLU A 61 -16.643 -1.870 -8.478 1.00 0.00 C ATOM 929 CD GLU A 61 -17.900 -1.890 -7.633 1.00 0.00 C ATOM 930 OE1 GLU A 61 -17.974 -2.698 -6.684 1.00 0.00 O ATOM 931 OE2 GLU A 61 -18.820 -1.095 -7.910 1.00 0.00 O ATOM 0 H GLU A 61 -16.314 -2.655 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.982 -2.519 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.979 -0.254 -7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.971 -0.550 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.879 -1.471 -9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.291 -2.891 -8.623 1.00 0.00 H new ATOM 938 N GLU A 62 -14.145 -0.188 -5.281 1.00 0.00 N ATOM 939 CA GLU A 62 -13.362 0.768 -4.504 1.00 0.00 C ATOM 940 C GLU A 62 -12.189 0.078 -3.815 1.00 0.00 C ATOM 941 O GLU A 62 -11.042 0.512 -3.929 1.00 0.00 O ATOM 942 CB GLU A 62 -14.245 1.441 -3.451 1.00 0.00 C ATOM 943 CG GLU A 62 -15.367 2.287 -4.028 1.00 0.00 C ATOM 944 CD GLU A 62 -14.870 3.583 -4.634 1.00 0.00 C ATOM 945 OE1 GLU A 62 -13.987 4.231 -4.031 1.00 0.00 O ATOM 946 OE2 GLU A 62 -15.369 3.968 -5.713 1.00 0.00 O ATOM 0 H GLU A 62 -15.120 -0.262 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.973 1.521 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.677 0.672 -2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.620 2.070 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.894 1.713 -4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.088 2.511 -3.242 1.00 0.00 H new ATOM 953 N LEU A 63 -12.489 -1.012 -3.118 1.00 0.00 N ATOM 954 CA LEU A 63 -11.475 -1.771 -2.390 1.00 0.00 C ATOM 955 C LEU A 63 -10.436 -2.359 -3.327 1.00 0.00 C ATOM 956 O LEU A 63 -9.240 -2.156 -3.133 1.00 0.00 O ATOM 957 CB LEU A 63 -12.129 -2.881 -1.571 1.00 0.00 C ATOM 958 CG LEU A 63 -11.280 -3.422 -0.423 1.00 0.00 C ATOM 959 CD1 LEU A 63 -10.719 -2.283 0.415 1.00 0.00 C ATOM 960 CD2 LEU A 63 -12.110 -4.356 0.436 1.00 0.00 C ATOM 0 H LEU A 63 -13.432 -1.393 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.967 -1.080 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.068 -2.506 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.378 -3.706 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.441 -3.978 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.117 -2.691 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.097 -1.643 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.540 -1.698 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.498 -4.739 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.963 -3.814 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.466 -5.188 -0.171 1.00 0.00 H new ATOM 972 N ILE A 64 -10.896 -3.078 -4.336 1.00 0.00 N ATOM 973 CA ILE A 64 -10.007 -3.696 -5.305 1.00 0.00 C ATOM 974 C ILE A 64 -9.128 -2.637 -5.970 1.00 0.00 C ATOM 975 O ILE A 64 -7.937 -2.858 -6.193 1.00 0.00 O ATOM 976 CB ILE A 64 -10.822 -4.497 -6.346 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.542 -5.648 -5.630 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.926 -5.021 -7.462 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.774 -6.165 -6.337 1.00 0.00 C ATOM 0 H ILE A 64 -11.887 -3.249 -4.506 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.349 -4.396 -4.790 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.558 -3.841 -6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.841 -6.473 -5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.826 -5.315 -4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.527 -5.580 -8.179 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.446 -4.183 -7.967 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -9.163 -5.675 -7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -13.214 -6.976 -5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.500 -5.358 -6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.499 -6.534 -7.325 1.00 0.00 H new ATOM 991 N ASN A 65 -9.713 -1.475 -6.241 1.00 0.00 N ATOM 992 CA ASN A 65 -8.981 -0.365 -6.840 1.00 0.00 C ATOM 993 C ASN A 65 -7.889 0.120 -5.885 1.00 0.00 C ATOM 994 O ASN A 65 -6.737 0.299 -6.282 1.00 0.00 O ATOM 995 CB ASN A 65 -9.936 0.789 -7.180 1.00 0.00 C ATOM 996 CG ASN A 65 -9.232 2.132 -7.240 1.00 0.00 C ATOM 997 OD1 ASN A 65 -9.282 2.876 -6.146 1.00 0.00 O flip ATOM 998 ND2 ASN A 65 -8.662 2.502 -8.267 1.00 0.00 N flip ATOM 0 H ASN A 65 -10.696 -1.277 -6.054 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.516 -0.713 -7.762 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.413 0.590 -8.140 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.729 0.832 -6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.647 1.897 -9.088 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.205 3.413 -8.296 1.00 0.00 H new ATOM 1005 N LYS A 66 -8.263 0.310 -4.621 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.327 0.765 -3.597 1.00 0.00 C ATOM 1007 C LYS A 66 -6.162 -0.205 -3.471 1.00 0.00 C ATOM 1008 O LYS A 66 -5.008 0.209 -3.356 1.00 0.00 O ATOM 1009 CB LYS A 66 -8.041 0.906 -2.248 1.00 0.00 C ATOM 1010 CG LYS A 66 -8.945 2.125 -2.146 1.00 0.00 C ATOM 1011 CD LYS A 66 -8.158 3.420 -2.276 1.00 0.00 C ATOM 1012 CE LYS A 66 -8.810 4.547 -1.489 1.00 0.00 C ATOM 1013 NZ LYS A 66 -10.203 4.819 -1.937 1.00 0.00 N ATOM 0 H LYS A 66 -9.212 0.155 -4.281 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.939 1.739 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.636 0.010 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.293 0.955 -1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.705 2.081 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.468 2.111 -1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.140 3.266 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.088 3.701 -3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.815 4.291 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.214 5.453 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.575 5.648 -1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.208 5.007 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.801 3.993 -1.734 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.470 -1.495 -3.520 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.450 -2.528 -3.411 1.00 0.00 C ATOM 1029 C LYS A 67 -4.541 -2.532 -4.638 1.00 0.00 C ATOM 1030 O LYS A 67 -3.359 -2.838 -4.528 1.00 0.00 O ATOM 1031 CB LYS A 67 -6.090 -3.905 -3.211 1.00 0.00 C ATOM 1032 CG LYS A 67 -7.097 -3.932 -2.071 1.00 0.00 C ATOM 1033 CD LYS A 67 -7.151 -5.281 -1.372 1.00 0.00 C ATOM 1034 CE LYS A 67 -8.026 -5.209 -0.130 1.00 0.00 C ATOM 1035 NZ LYS A 67 -7.924 -6.436 0.703 1.00 0.00 N ATOM 0 H LYS A 67 -7.419 -1.850 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.839 -2.303 -2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.586 -4.207 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.308 -4.638 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.840 -3.161 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.086 -3.688 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.542 -6.035 -2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.144 -5.593 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.737 -4.343 0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.064 -5.060 -0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.996 -6.180 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.695 -7.089 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.009 -6.899 0.529 1.00 0.00 H new ATOM 1049 N ARG A 68 -5.093 -2.180 -5.796 1.00 0.00 N ATOM 1050 CA ARG A 68 -4.312 -2.139 -7.032 1.00 0.00 C ATOM 1051 C ARG A 68 -3.291 -1.007 -6.992 1.00 0.00 C ATOM 1052 O ARG A 68 -2.144 -1.172 -7.400 1.00 0.00 O ATOM 1053 CB ARG A 68 -5.219 -1.947 -8.252 1.00 0.00 C ATOM 1054 CG ARG A 68 -6.086 -3.151 -8.577 1.00 0.00 C ATOM 1055 CD ARG A 68 -6.741 -3.026 -9.945 1.00 0.00 C ATOM 1056 NE ARG A 68 -7.453 -1.758 -10.106 1.00 0.00 N ATOM 1057 CZ ARG A 68 -8.752 -1.656 -10.385 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -9.502 -2.741 -10.549 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -9.300 -0.457 -10.506 1.00 0.00 N ATOM 0 H ARG A 68 -6.073 -1.920 -5.906 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.793 -3.094 -7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.863 -1.085 -8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.600 -1.714 -9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.478 -4.055 -8.547 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.857 -3.260 -7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.979 -3.113 -10.720 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.438 -3.852 -10.089 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.920 -0.895 -9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.085 -3.668 -10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.495 -2.647 -10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.729 0.379 -10.386 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.294 -0.370 -10.719 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.715 0.141 -6.484 1.00 0.00 N ATOM 1074 CA ILE A 69 -2.854 1.311 -6.407 1.00 0.00 C ATOM 1075 C ILE A 69 -1.782 1.149 -5.336 1.00 0.00 C ATOM 1076 O ILE A 69 -0.613 1.457 -5.570 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.666 2.598 -6.122 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.760 2.795 -7.182 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -2.748 3.817 -6.067 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -4.229 3.050 -8.579 1.00 0.00 C ATOM 0 H ILE A 69 -4.656 0.287 -6.117 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.372 1.404 -7.380 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.146 2.487 -5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.395 1.909 -7.202 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.391 3.633 -6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.340 4.710 -5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.012 3.683 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.235 3.930 -7.022 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.064 3.178 -9.268 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.618 3.953 -8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.622 2.202 -8.898 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.177 0.653 -4.169 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.243 0.481 -3.066 1.00 0.00 C ATOM 1094 C ILE A 70 -0.149 -0.542 -3.402 1.00 0.00 C ATOM 1095 O ILE A 70 1.022 -0.322 -3.099 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.974 0.103 -1.754 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.999 0.105 -0.578 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.663 -1.242 -1.867 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.478 1.481 -0.231 1.00 0.00 C ATOM 0 H ILE A 70 -3.134 0.364 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.756 1.443 -2.909 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.742 0.855 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.495 -0.318 0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.157 -0.545 -0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.165 -1.474 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.397 -1.208 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.923 -2.013 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.209 1.408 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.046 1.899 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.313 2.129 0.036 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.516 -1.646 -4.042 1.00 0.00 N ATOM 1112 CA GLU A 71 0.468 -2.658 -4.413 1.00 0.00 C ATOM 1113 C GLU A 71 1.360 -2.142 -5.541 1.00 0.00 C ATOM 1114 O GLU A 71 2.546 -2.474 -5.611 1.00 0.00 O ATOM 1115 CB GLU A 71 -0.216 -3.972 -4.827 1.00 0.00 C ATOM 1116 CG GLU A 71 -1.075 -3.865 -6.082 1.00 0.00 C ATOM 1117 CD GLU A 71 -0.505 -4.618 -7.266 1.00 0.00 C ATOM 1118 OE1 GLU A 71 0.679 -4.407 -7.598 1.00 0.00 O ATOM 1119 OE2 GLU A 71 -1.241 -5.424 -7.877 1.00 0.00 O ATOM 0 H GLU A 71 -1.475 -1.863 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 71 1.088 -2.863 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.549 -4.731 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.839 -4.319 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.073 -4.246 -5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.187 -2.814 -6.349 1.00 0.00 H new ATOM 1126 N LYS A 72 0.791 -1.305 -6.403 1.00 0.00 N ATOM 1127 CA LYS A 72 1.529 -0.757 -7.528 1.00 0.00 C ATOM 1128 C LYS A 72 2.621 0.199 -7.068 1.00 0.00 C ATOM 1129 O LYS A 72 3.758 0.105 -7.525 1.00 0.00 O ATOM 1130 CB LYS A 72 0.586 -0.035 -8.492 1.00 0.00 C ATOM 1131 CG LYS A 72 1.274 0.436 -9.765 1.00 0.00 C ATOM 1132 CD LYS A 72 0.279 0.988 -10.769 1.00 0.00 C ATOM 1133 CE LYS A 72 -0.299 2.317 -10.316 1.00 0.00 C ATOM 1134 NZ LYS A 72 -1.341 2.810 -11.255 1.00 0.00 N ATOM 0 H LYS A 72 -0.178 -0.994 -6.341 1.00 0.00 H new ATOM 0 HA LYS A 72 2.000 -1.593 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.234 -0.703 -8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.147 0.824 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.007 1.204 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.820 -0.395 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.769 1.115 -11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.529 0.270 -10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.729 2.207 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.500 3.054 -10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.318 3.849 -11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.157 2.433 -12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.277 2.493 -10.932 1.00 0.00 H new ATOM 1148 N VAL A 73 2.286 1.109 -6.158 1.00 0.00 N ATOM 1149 CA VAL A 73 3.261 2.083 -5.677 1.00 0.00 C ATOM 1150 C VAL A 73 4.421 1.407 -4.949 1.00 0.00 C ATOM 1151 O VAL A 73 5.568 1.797 -5.125 1.00 0.00 O ATOM 1152 CB VAL A 73 2.629 3.161 -4.770 1.00 0.00 C ATOM 1153 CG1 VAL A 73 1.625 3.991 -5.553 1.00 0.00 C ATOM 1154 CG2 VAL A 73 1.975 2.544 -3.545 1.00 0.00 C ATOM 0 H VAL A 73 1.358 1.193 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 73 3.646 2.582 -6.567 1.00 0.00 H new ATOM 0 HB VAL A 73 3.428 3.815 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.189 4.746 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.129 4.480 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.837 3.343 -5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.541 3.331 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.191 1.855 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.724 2.003 -2.967 1.00 0.00 H new ATOM 1164 N ILE A 74 4.127 0.380 -4.157 1.00 0.00 N ATOM 1165 CA ILE A 74 5.169 -0.334 -3.430 1.00 0.00 C ATOM 1166 C ILE A 74 6.085 -1.062 -4.409 1.00 0.00 C ATOM 1167 O ILE A 74 7.312 -0.991 -4.307 1.00 0.00 O ATOM 1168 CB ILE A 74 4.574 -1.342 -2.422 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.643 -0.625 -1.440 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.684 -2.064 -1.669 1.00 0.00 C ATOM 1171 CD1 ILE A 74 2.842 -1.566 -0.566 1.00 0.00 C ATOM 0 H ILE A 74 3.183 0.026 -4.004 1.00 0.00 H new ATOM 0 HA ILE A 74 5.744 0.402 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 74 3.995 -2.082 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.236 0.032 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.956 0.009 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.246 -2.770 -0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.314 -2.603 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.288 -1.337 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.206 -0.988 0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.222 -2.206 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.521 -2.183 0.022 1.00 0.00 H new ATOM 1183 N HIS A 75 5.476 -1.741 -5.373 1.00 0.00 N ATOM 1184 CA HIS A 75 6.220 -2.473 -6.390 1.00 0.00 C ATOM 1185 C HIS A 75 7.031 -1.507 -7.260 1.00 0.00 C ATOM 1186 O HIS A 75 8.111 -1.847 -7.741 1.00 0.00 O ATOM 1187 CB HIS A 75 5.253 -3.308 -7.243 1.00 0.00 C ATOM 1188 CG HIS A 75 5.837 -3.843 -8.519 1.00 0.00 C ATOM 1189 ND1 HIS A 75 6.873 -4.755 -8.563 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.518 -3.582 -9.807 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.161 -5.027 -9.821 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.354 -4.331 -10.594 1.00 0.00 N ATOM 0 H HIS A 75 4.463 -1.800 -5.472 1.00 0.00 H new ATOM 0 HA HIS A 75 6.921 -3.150 -5.902 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.895 -4.146 -6.645 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.385 -2.696 -7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.747 -2.908 -10.152 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.929 -5.706 -10.160 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.351 -4.347 -11.614 1.00 0.00 H new ATOM 1201 N ARG A 76 6.498 -0.306 -7.452 1.00 0.00 N ATOM 1202 CA ARG A 76 7.164 0.716 -8.250 1.00 0.00 C ATOM 1203 C ARG A 76 8.329 1.326 -7.471 1.00 0.00 C ATOM 1204 O ARG A 76 9.430 1.479 -7.996 1.00 0.00 O ATOM 1205 CB ARG A 76 6.169 1.811 -8.647 1.00 0.00 C ATOM 1206 CG ARG A 76 6.745 2.835 -9.614 1.00 0.00 C ATOM 1207 CD ARG A 76 5.958 4.134 -9.599 1.00 0.00 C ATOM 1208 NE ARG A 76 6.850 5.284 -9.505 1.00 0.00 N ATOM 1209 CZ ARG A 76 6.845 6.320 -10.342 1.00 0.00 C ATOM 1210 NH1 ARG A 76 5.919 6.421 -11.294 1.00 0.00 N ATOM 1211 NH2 ARG A 76 7.769 7.260 -10.216 1.00 0.00 N ATOM 0 H ARG A 76 5.601 -0.015 -7.063 1.00 0.00 H new ATOM 0 HA ARG A 76 7.554 0.248 -9.154 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.293 1.347 -9.101 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.828 2.324 -7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.784 3.037 -9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.745 2.422 -10.623 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.356 4.209 -10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.267 4.135 -8.756 1.00 0.00 H new ATOM 0 HE ARG A 76 7.527 5.296 -8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.203 5.700 -11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.925 7.219 -11.929 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.475 7.186 -9.484 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.775 8.058 -10.851 1.00 0.00 H new ATOM 1225 N LEU A 77 8.072 1.651 -6.214 1.00 0.00 N ATOM 1226 CA LEU A 77 9.067 2.252 -5.330 1.00 0.00 C ATOM 1227 C LEU A 77 10.321 1.389 -5.198 1.00 0.00 C ATOM 1228 O LEU A 77 11.443 1.881 -5.318 1.00 0.00 O ATOM 1229 CB LEU A 77 8.438 2.474 -3.947 1.00 0.00 C ATOM 1230 CG LEU A 77 9.368 2.263 -2.751 1.00 0.00 C ATOM 1231 CD1 LEU A 77 10.093 3.547 -2.405 1.00 0.00 C ATOM 1232 CD2 LEU A 77 8.585 1.751 -1.555 1.00 0.00 C ATOM 0 H LEU A 77 7.164 1.506 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 77 9.376 3.202 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.048 3.491 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.586 1.802 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 77 10.113 1.514 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.749 3.376 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.686 3.872 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.366 4.319 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.261 1.606 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.818 2.477 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.113 0.802 -1.809 1.00 0.00 H new ATOM 1244 N THR A 78 10.123 0.100 -4.979 1.00 0.00 N ATOM 1245 CA THR A 78 11.232 -0.825 -4.783 1.00 0.00 C ATOM 1246 C THR A 78 11.852 -1.307 -6.101 1.00 0.00 C ATOM 1247 O THR A 78 12.753 -2.146 -6.088 1.00 0.00 O ATOM 1248 CB THR A 78 10.769 -2.041 -3.943 1.00 0.00 C ATOM 1249 OG1 THR A 78 11.891 -2.815 -3.500 1.00 0.00 O ATOM 1250 CG2 THR A 78 9.821 -2.923 -4.744 1.00 0.00 C ATOM 0 H THR A 78 9.201 -0.333 -4.932 1.00 0.00 H new ATOM 0 HA THR A 78 12.008 -0.276 -4.249 1.00 0.00 H new ATOM 0 HB THR A 78 10.241 -1.657 -3.070 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.561 -2.857 -4.214 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.509 -3.770 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.945 -2.344 -5.036 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.329 -3.287 -5.637 1.00 0.00 H new ATOM 1258 N HIS A 79 11.399 -0.785 -7.236 1.00 0.00 N ATOM 1259 CA HIS A 79 11.951 -1.222 -8.517 1.00 0.00 C ATOM 1260 C HIS A 79 12.181 -0.059 -9.478 1.00 0.00 C ATOM 1261 O HIS A 79 13.318 0.303 -9.766 1.00 0.00 O ATOM 1262 CB HIS A 79 11.027 -2.255 -9.169 1.00 0.00 C ATOM 1263 CG HIS A 79 11.739 -3.223 -10.069 1.00 0.00 C ATOM 1264 ND1 HIS A 79 12.255 -2.874 -11.298 1.00 0.00 N ATOM 1265 CD2 HIS A 79 12.017 -4.540 -9.911 1.00 0.00 C ATOM 1266 CE1 HIS A 79 12.816 -3.930 -11.856 1.00 0.00 C ATOM 1267 NE2 HIS A 79 12.685 -4.956 -11.038 1.00 0.00 N ATOM 0 H HIS A 79 10.669 -0.076 -7.299 1.00 0.00 H new ATOM 0 HA HIS A 79 12.921 -1.674 -8.308 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.512 -2.812 -8.387 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.263 -1.733 -9.745 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.761 -5.150 -9.057 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.301 -3.951 -12.821 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.024 -5.902 -11.213 1.00 0.00 H new ATOM 1276 N TYR A 80 11.093 0.525 -9.963 1.00 0.00 N ATOM 1277 CA TYR A 80 11.163 1.626 -10.921 1.00 0.00 C ATOM 1278 C TYR A 80 11.783 2.881 -10.316 1.00 0.00 C ATOM 1279 O TYR A 80 12.619 3.536 -10.941 1.00 0.00 O ATOM 1280 CB TYR A 80 9.763 1.964 -11.440 1.00 0.00 C ATOM 1281 CG TYR A 80 9.078 0.828 -12.163 1.00 0.00 C ATOM 1282 CD1 TYR A 80 9.275 0.629 -13.522 1.00 0.00 C ATOM 1283 CD2 TYR A 80 8.228 -0.037 -11.488 1.00 0.00 C ATOM 1284 CE1 TYR A 80 8.641 -0.403 -14.188 1.00 0.00 C ATOM 1285 CE2 TYR A 80 7.590 -1.069 -12.146 1.00 0.00 C ATOM 1286 CZ TYR A 80 7.802 -1.249 -13.495 1.00 0.00 C ATOM 1287 OH TYR A 80 7.170 -2.276 -14.155 1.00 0.00 O ATOM 0 H TYR A 80 10.144 0.253 -9.708 1.00 0.00 H new ATOM 0 HA TYR A 80 11.801 1.293 -11.740 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.141 2.272 -10.600 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.834 2.818 -12.114 1.00 0.00 H new ATOM 0 HD1 TYR A 80 9.933 1.290 -14.067 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.063 0.100 -10.429 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.802 -0.546 -15.246 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.929 -1.731 -11.607 1.00 0.00 H new ATOM 0 HH TYR A 80 6.616 -2.779 -13.523 1.00 0.00 H new ATOM 1297 N ASP A 81 11.363 3.222 -9.108 1.00 0.00 N ATOM 1298 CA ASP A 81 11.865 4.418 -8.440 1.00 0.00 C ATOM 1299 C ASP A 81 13.226 4.184 -7.813 1.00 0.00 C ATOM 1300 O ASP A 81 14.167 4.937 -8.058 1.00 0.00 O ATOM 1301 CB ASP A 81 10.893 4.882 -7.351 1.00 0.00 C ATOM 1302 CG ASP A 81 9.701 5.627 -7.904 1.00 0.00 C ATOM 1303 OD1 ASP A 81 9.891 6.547 -8.728 1.00 0.00 O ATOM 1304 OD2 ASP A 81 8.564 5.290 -7.520 1.00 0.00 O ATOM 0 H ASP A 81 10.678 2.691 -8.569 1.00 0.00 H new ATOM 0 HA ASP A 81 11.958 5.189 -9.205 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.544 4.015 -6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.423 5.525 -6.648 1.00 0.00 H new ATOM 1309 N HIS A 82 13.314 3.144 -6.986 1.00 0.00 N ATOM 1310 CA HIS A 82 14.548 2.809 -6.278 1.00 0.00 C ATOM 1311 C HIS A 82 14.878 3.939 -5.302 1.00 0.00 C ATOM 1312 O HIS A 82 16.026 4.153 -4.933 1.00 0.00 O ATOM 1313 CB HIS A 82 15.712 2.563 -7.257 1.00 0.00 C ATOM 1314 CG HIS A 82 16.831 1.741 -6.678 1.00 0.00 C ATOM 1315 ND1 HIS A 82 16.846 0.364 -6.708 1.00 0.00 N ATOM 1316 CD2 HIS A 82 17.972 2.111 -6.048 1.00 0.00 C ATOM 1317 CE1 HIS A 82 17.942 -0.076 -6.120 1.00 0.00 C ATOM 1318 NE2 HIS A 82 18.640 0.962 -5.711 1.00 0.00 N ATOM 0 H HIS A 82 12.537 2.513 -6.789 1.00 0.00 H new ATOM 0 HA HIS A 82 14.402 1.881 -5.725 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.327 2.061 -8.145 1.00 0.00 H new ATOM 0 HB3 HIS A 82 16.110 3.524 -7.581 1.00 0.00 H new ATOM 0 HD2 HIS A 82 18.295 3.122 -5.849 1.00 0.00 H new ATOM 0 HE1 HIS A 82 18.219 -1.112 -5.995 1.00 0.00 H new ATOM 0 HE2 HIS A 82 19.534 0.919 -5.222 1.00 0.00 H new ATOM 1327 N VAL A 83 13.835 4.649 -4.879 1.00 0.00 N ATOM 1328 CA VAL A 83 13.973 5.767 -3.953 1.00 0.00 C ATOM 1329 C VAL A 83 13.863 5.270 -2.505 1.00 0.00 C ATOM 1330 O VAL A 83 13.712 6.046 -1.559 1.00 0.00 O ATOM 1331 CB VAL A 83 12.906 6.854 -4.254 1.00 0.00 C ATOM 1332 CG1 VAL A 83 11.517 6.399 -3.842 1.00 0.00 C ATOM 1333 CG2 VAL A 83 13.258 8.176 -3.591 1.00 0.00 C ATOM 0 H VAL A 83 12.874 4.465 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 83 14.957 6.217 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 83 12.901 7.010 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.795 7.184 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.253 5.495 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.505 6.191 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.490 8.915 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.315 8.038 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.221 8.525 -3.964 1.00 0.00 H new ATOM 1343 N LEU A 84 13.953 3.958 -2.348 1.00 0.00 N ATOM 1344 CA LEU A 84 13.875 3.338 -1.038 1.00 0.00 C ATOM 1345 C LEU A 84 15.272 3.123 -0.462 1.00 0.00 C ATOM 1346 O LEU A 84 16.270 3.165 -1.184 1.00 0.00 O ATOM 1347 CB LEU A 84 13.118 2.004 -1.113 1.00 0.00 C ATOM 1348 CG LEU A 84 13.913 0.815 -1.660 1.00 0.00 C ATOM 1349 CD1 LEU A 84 13.251 -0.489 -1.253 1.00 0.00 C ATOM 1350 CD2 LEU A 84 14.037 0.891 -3.173 1.00 0.00 C ATOM 0 H LEU A 84 14.081 3.301 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 84 13.327 4.009 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.765 1.752 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.235 2.144 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 84 14.916 0.852 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.825 -1.327 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.214 -0.554 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 84 12.238 -0.523 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.606 0.035 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.043 0.882 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.551 1.811 -3.450 1.00 0.00 H new ATOM 1362 N ILE A 85 15.326 2.897 0.837 1.00 0.00 N ATOM 1363 CA ILE A 85 16.574 2.678 1.541 1.00 0.00 C ATOM 1364 C ILE A 85 16.520 1.341 2.274 1.00 0.00 C ATOM 1365 O ILE A 85 15.459 0.938 2.756 1.00 0.00 O ATOM 1366 CB ILE A 85 16.833 3.799 2.576 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.469 5.165 1.992 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.285 3.785 3.033 1.00 0.00 C ATOM 1369 CD1 ILE A 85 16.046 6.169 3.041 1.00 0.00 C ATOM 0 H ILE A 85 14.501 2.860 1.436 1.00 0.00 H new ATOM 0 HA ILE A 85 17.380 2.679 0.807 1.00 0.00 H new ATOM 0 HB ILE A 85 16.199 3.615 3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.326 5.559 1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.661 5.041 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.445 4.581 3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.513 2.823 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.938 3.941 2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 85 15.802 7.116 2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.170 5.794 3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.861 6.321 3.749 1.00 0.00 H new ATOM 1381 N GLU A 86 17.645 0.647 2.336 1.00 0.00 N ATOM 1382 CA GLU A 86 17.717 -0.627 3.037 1.00 0.00 C ATOM 1383 C GLU A 86 18.986 -0.679 3.881 1.00 0.00 C ATOM 1384 O GLU A 86 20.091 -0.479 3.376 1.00 0.00 O ATOM 1385 CB GLU A 86 17.660 -1.811 2.057 1.00 0.00 C ATOM 1386 CG GLU A 86 18.614 -1.693 0.880 1.00 0.00 C ATOM 1387 CD GLU A 86 18.622 -2.938 0.016 1.00 0.00 C ATOM 1388 OE1 GLU A 86 19.204 -3.960 0.440 1.00 0.00 O ATOM 1389 OE2 GLU A 86 18.044 -2.904 -1.093 1.00 0.00 O ATOM 0 H GLU A 86 18.522 0.944 1.909 1.00 0.00 H new ATOM 0 HA GLU A 86 16.851 -0.710 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.884 -2.729 2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.643 -1.905 1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.332 -0.834 0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.622 -1.504 1.250 1.00 0.00 H new ATOM 1672 N TYR A 107 15.329 -4.470 6.692 1.00 0.00 N ATOM 1673 CA TYR A 107 14.122 -3.662 6.760 1.00 0.00 C ATOM 1674 C TYR A 107 14.102 -2.648 5.629 1.00 0.00 C ATOM 1675 O TYR A 107 15.148 -2.127 5.234 1.00 0.00 O ATOM 1676 CB TYR A 107 14.042 -2.936 8.103 1.00 0.00 C ATOM 1677 CG TYR A 107 13.888 -3.859 9.289 1.00 0.00 C ATOM 1678 CD1 TYR A 107 12.747 -4.634 9.446 1.00 0.00 C ATOM 1679 CD2 TYR A 107 14.881 -3.948 10.257 1.00 0.00 C ATOM 1680 CE1 TYR A 107 12.598 -5.472 10.531 1.00 0.00 C ATOM 1681 CE2 TYR A 107 14.740 -4.786 11.346 1.00 0.00 C ATOM 1682 CZ TYR A 107 13.597 -5.544 11.479 1.00 0.00 C ATOM 1683 OH TYR A 107 13.452 -6.373 12.569 1.00 0.00 O ATOM 0 HA TYR A 107 13.261 -4.323 6.662 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.943 -2.337 8.236 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.200 -2.244 8.081 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.963 -4.580 8.706 1.00 0.00 H new ATOM 0 HD2 TYR A 107 15.777 -3.353 10.156 1.00 0.00 H new ATOM 0 HE1 TYR A 107 11.704 -6.069 10.638 1.00 0.00 H new ATOM 0 HE2 TYR A 107 15.521 -4.847 12.089 1.00 0.00 H new ATOM 0 HH TYR A 107 14.246 -6.306 13.139 1.00 0.00 H new ATOM 1693 N LEU A 108 12.915 -2.369 5.114 1.00 0.00 N ATOM 1694 CA LEU A 108 12.767 -1.415 4.029 1.00 0.00 C ATOM 1695 C LEU A 108 12.242 -0.085 4.548 1.00 0.00 C ATOM 1696 O LEU A 108 11.230 -0.030 5.245 1.00 0.00 O ATOM 1697 CB LEU A 108 11.825 -1.960 2.949 1.00 0.00 C ATOM 1698 CG LEU A 108 12.429 -3.008 2.006 1.00 0.00 C ATOM 1699 CD1 LEU A 108 13.861 -2.648 1.654 1.00 0.00 C ATOM 1700 CD2 LEU A 108 12.357 -4.395 2.627 1.00 0.00 C ATOM 0 H LEU A 108 12.041 -2.790 5.430 1.00 0.00 H new ATOM 0 HA LEU A 108 13.751 -1.257 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.955 -2.397 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.466 -1.123 2.350 1.00 0.00 H new ATOM 0 HG LEU A 108 11.845 -3.018 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.272 -3.403 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.881 -1.676 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.460 -2.605 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.791 -5.123 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.913 -4.403 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.316 -4.654 2.820 1.00 0.00 H new ATOM 1712 N VAL A 109 12.941 0.982 4.206 1.00 0.00 N ATOM 1713 CA VAL A 109 12.554 2.321 4.616 1.00 0.00 C ATOM 1714 C VAL A 109 12.498 3.213 3.385 1.00 0.00 C ATOM 1715 O VAL A 109 13.328 3.097 2.494 1.00 0.00 O ATOM 1716 CB VAL A 109 13.520 2.908 5.687 1.00 0.00 C ATOM 1717 CG1 VAL A 109 14.966 2.552 5.383 1.00 0.00 C ATOM 1718 CG2 VAL A 109 13.367 4.420 5.816 1.00 0.00 C ATOM 0 H VAL A 109 13.788 0.946 3.639 1.00 0.00 H new ATOM 0 HA VAL A 109 11.570 2.273 5.083 1.00 0.00 H new ATOM 0 HB VAL A 109 13.246 2.457 6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 109 15.614 2.977 6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 109 15.079 1.468 5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.243 2.956 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.057 4.792 6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.589 4.891 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.345 4.659 6.109 1.00 0.00 H new ATOM 1728 N VAL A 110 11.508 4.072 3.318 1.00 0.00 N ATOM 1729 CA VAL A 110 11.354 4.950 2.173 1.00 0.00 C ATOM 1730 C VAL A 110 11.769 6.376 2.515 1.00 0.00 C ATOM 1731 O VAL A 110 11.546 6.850 3.631 1.00 0.00 O ATOM 1732 CB VAL A 110 9.897 4.927 1.655 1.00 0.00 C ATOM 1733 CG1 VAL A 110 8.934 5.414 2.726 1.00 0.00 C ATOM 1734 CG2 VAL A 110 9.752 5.748 0.382 1.00 0.00 C ATOM 0 H VAL A 110 10.796 4.185 4.040 1.00 0.00 H new ATOM 0 HA VAL A 110 12.010 4.583 1.384 1.00 0.00 H new ATOM 0 HB VAL A 110 9.645 3.894 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.916 5.389 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.005 4.767 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.190 6.435 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.717 5.713 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.033 6.782 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.402 5.338 -0.391 1.00 0.00 H new ATOM 1744 N ASN A 111 12.406 7.038 1.564 1.00 0.00 N ATOM 1745 CA ASN A 111 12.836 8.412 1.749 1.00 0.00 C ATOM 1746 C ASN A 111 11.632 9.336 1.636 1.00 0.00 C ATOM 1747 O ASN A 111 10.891 9.268 0.652 1.00 0.00 O ATOM 1748 CB ASN A 111 13.888 8.792 0.696 1.00 0.00 C ATOM 1749 CG ASN A 111 14.506 10.155 0.940 1.00 0.00 C ATOM 1750 OD1 ASN A 111 14.591 10.620 2.074 1.00 0.00 O ATOM 1751 ND2 ASN A 111 14.958 10.798 -0.124 1.00 0.00 N ATOM 0 H ASN A 111 12.637 6.643 0.652 1.00 0.00 H new ATOM 0 HA ASN A 111 13.284 8.515 2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.675 8.038 0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.426 8.780 -0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 111 15.396 11.713 -0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.869 10.378 -1.049 1.00 0.00 H new ATOM 1758 N PRO A 112 11.404 10.191 2.646 1.00 0.00 N ATOM 1759 CA PRO A 112 10.286 11.139 2.652 1.00 0.00 C ATOM 1760 C PRO A 112 10.298 12.060 1.433 1.00 0.00 C ATOM 1761 O PRO A 112 9.292 12.689 1.110 1.00 0.00 O ATOM 1762 CB PRO A 112 10.494 11.951 3.938 1.00 0.00 C ATOM 1763 CG PRO A 112 11.898 11.675 4.357 1.00 0.00 C ATOM 1764 CD PRO A 112 12.202 10.288 3.877 1.00 0.00 C ATOM 0 HA PRO A 112 9.326 10.625 2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.339 13.015 3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 112 9.787 11.651 4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 112 12.586 12.399 3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.004 11.746 5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 112 13.266 10.151 3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.912 9.534 4.608 1.00 0.00 H new ATOM 1772 N ASN A 113 11.437 12.128 0.751 1.00 0.00 N ATOM 1773 CA ASN A 113 11.565 12.957 -0.431 1.00 0.00 C ATOM 1774 C ASN A 113 11.136 12.181 -1.673 1.00 0.00 C ATOM 1775 O ASN A 113 11.931 11.954 -2.587 1.00 0.00 O ATOM 1776 CB ASN A 113 13.005 13.446 -0.582 1.00 0.00 C ATOM 1777 CG ASN A 113 13.214 14.819 0.019 1.00 0.00 C ATOM 1778 OD1 ASN A 113 13.671 14.956 1.153 1.00 0.00 O ATOM 1779 ND2 ASN A 113 12.859 15.840 -0.734 1.00 0.00 N ATOM 0 H ASN A 113 12.283 11.616 1.001 1.00 0.00 H new ATOM 0 HA ASN A 113 10.913 13.823 -0.320 1.00 0.00 H new ATOM 0 HB2 ASN A 113 13.679 12.736 -0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 113 13.268 13.471 -1.639 1.00 0.00 H new ATOM 0 HD21 ASN A 113 12.959 16.792 -0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 113 12.485 15.678 -1.669 1.00 0.00 H new ATOM 1786 N TYR A 114 9.878 11.771 -1.696 1.00 0.00 N ATOM 1787 CA TYR A 114 9.332 11.024 -2.819 1.00 0.00 C ATOM 1788 C TYR A 114 8.887 11.999 -3.907 1.00 0.00 C ATOM 1789 O TYR A 114 8.369 13.078 -3.605 1.00 0.00 O ATOM 1790 CB TYR A 114 8.147 10.167 -2.350 1.00 0.00 C ATOM 1791 CG TYR A 114 7.972 8.853 -3.088 1.00 0.00 C ATOM 1792 CD1 TYR A 114 7.959 8.804 -4.474 1.00 0.00 C ATOM 1793 CD2 TYR A 114 7.799 7.664 -2.391 1.00 0.00 C ATOM 1794 CE1 TYR A 114 7.778 7.610 -5.146 1.00 0.00 C ATOM 1795 CE2 TYR A 114 7.621 6.463 -3.055 1.00 0.00 C ATOM 1796 CZ TYR A 114 7.610 6.442 -4.434 1.00 0.00 C ATOM 1797 OH TYR A 114 7.428 5.251 -5.102 1.00 0.00 O ATOM 0 H TYR A 114 9.211 11.944 -0.944 1.00 0.00 H new ATOM 0 HA TYR A 114 10.098 10.363 -3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 114 8.269 9.956 -1.288 1.00 0.00 H new ATOM 0 HB3 TYR A 114 7.232 10.750 -2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 114 8.093 9.715 -5.038 1.00 0.00 H new ATOM 0 HD2 TYR A 114 7.803 7.677 -1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 114 7.768 7.592 -6.226 1.00 0.00 H new ATOM 0 HE2 TYR A 114 7.491 5.548 -2.497 1.00 0.00 H new ATOM 0 HH TYR A 114 8.054 5.199 -5.855 1.00 0.00 H new ATOM 1807 N LEU A 115 9.089 11.627 -5.165 1.00 0.00 N ATOM 1808 CA LEU A 115 8.709 12.481 -6.287 1.00 0.00 C ATOM 1809 C LEU A 115 7.190 12.504 -6.479 1.00 0.00 C ATOM 1810 O LEU A 115 6.442 12.029 -5.620 1.00 0.00 O ATOM 1811 CB LEU A 115 9.424 12.063 -7.599 1.00 0.00 C ATOM 1812 CG LEU A 115 9.515 10.555 -7.942 1.00 0.00 C ATOM 1813 CD1 LEU A 115 10.543 9.845 -7.073 1.00 0.00 C ATOM 1814 CD2 LEU A 115 8.167 9.861 -7.836 1.00 0.00 C ATOM 0 H LEU A 115 9.514 10.740 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 115 9.035 13.492 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 115 8.918 12.561 -8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.440 12.457 -7.563 1.00 0.00 H new ATOM 0 HG LEU A 115 9.840 10.494 -8.981 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.579 8.789 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 115 11.524 10.293 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.263 9.943 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.280 8.806 -8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.789 9.955 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.464 10.324 -8.528 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.783 -9.334 -2.364 1.00 0.00 N ATOM 2021 CA LEU B 390 -7.222 -9.255 -2.584 1.00 0.00 C ATOM 2022 C LEU B 390 -7.937 -10.464 -1.989 1.00 0.00 C ATOM 2023 O LEU B 390 -9.165 -10.519 -1.981 1.00 0.00 O ATOM 2024 CB LEU B 390 -7.531 -9.141 -4.078 1.00 0.00 C ATOM 2025 CG LEU B 390 -8.669 -8.179 -4.424 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -8.191 -6.733 -4.360 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -9.235 -8.494 -5.797 1.00 0.00 C ATOM 0 HA LEU B 390 -7.588 -8.361 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -6.629 -8.817 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -7.781 -10.131 -4.460 1.00 0.00 H new ATOM 0 HG LEU B 390 -9.462 -8.309 -3.687 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -9.016 -6.066 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -7.837 -6.511 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -7.378 -6.587 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -10.043 -7.799 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -8.449 -8.395 -6.546 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -9.620 -9.514 -5.807 1.00 0.00 H new ATOM 2039 N GLU B 391 -7.160 -11.429 -1.493 1.00 0.00 N ATOM 2040 CA GLU B 391 -7.709 -12.641 -0.884 1.00 0.00 C ATOM 2041 C GLU B 391 -8.680 -12.286 0.234 1.00 0.00 C ATOM 2042 O GLU B 391 -9.634 -13.012 0.508 1.00 0.00 O ATOM 2043 CB GLU B 391 -6.584 -13.519 -0.328 1.00 0.00 C ATOM 2044 CG GLU B 391 -5.832 -12.886 0.832 1.00 0.00 C ATOM 2045 CD GLU B 391 -5.063 -13.896 1.653 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -4.658 -14.936 1.100 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -4.860 -13.649 2.861 1.00 0.00 O ATOM 0 H GLU B 391 -6.141 -11.393 -1.502 1.00 0.00 H new ATOM 0 HA GLU B 391 -8.244 -13.194 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -7.005 -14.470 -0.001 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -5.879 -13.741 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -5.141 -12.137 0.445 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -6.540 -12.364 1.476 1.00 0.00 H new ATOM 2054 N ARG B 392 -8.425 -11.153 0.869 1.00 0.00 N ATOM 2055 CA ARG B 392 -9.266 -10.675 1.949 1.00 0.00 C ATOM 2056 C ARG B 392 -10.665 -10.377 1.429 1.00 0.00 C ATOM 2057 O ARG B 392 -11.670 -10.698 2.059 1.00 0.00 O ATOM 2058 CB ARG B 392 -8.661 -9.418 2.553 1.00 0.00 C ATOM 2059 CG ARG B 392 -9.155 -9.151 3.951 1.00 0.00 C ATOM 2060 CD ARG B 392 -8.594 -10.171 4.931 1.00 0.00 C ATOM 2061 NE ARG B 392 -7.147 -10.017 5.127 1.00 0.00 N ATOM 2062 CZ ARG B 392 -6.226 -10.871 4.676 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -6.587 -11.987 4.049 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -4.940 -10.613 4.877 1.00 0.00 N ATOM 0 H ARG B 392 -7.636 -10.545 0.651 1.00 0.00 H new ATOM 0 HA ARG B 392 -9.331 -11.446 2.716 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -7.575 -9.513 2.567 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -8.898 -8.564 1.919 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -8.863 -8.147 4.258 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -10.244 -9.185 3.969 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -9.101 -10.068 5.890 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -8.804 -11.176 4.566 1.00 0.00 H new ATOM 0 HE ARG B 392 -6.823 -9.200 5.644 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -7.575 -12.196 3.909 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -5.875 -12.633 3.708 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -4.661 -9.767 5.373 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -4.230 -11.261 4.535 1.00 0.00 H new ATOM 2078 N ILE B 393 -10.701 -9.776 0.255 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.947 -9.415 -0.403 1.00 0.00 C ATOM 2080 C ILE B 393 -12.725 -10.660 -0.818 1.00 0.00 C ATOM 2081 O ILE B 393 -13.952 -10.633 -0.915 1.00 0.00 O ATOM 2082 CB ILE B 393 -11.683 -8.528 -1.636 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.846 -7.313 -1.235 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.988 -8.089 -2.271 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -10.786 -6.243 -2.298 1.00 0.00 C ATOM 0 H ILE B 393 -9.866 -9.523 -0.273 1.00 0.00 H new ATOM 0 HA ILE B 393 -12.545 -8.850 0.312 1.00 0.00 H new ATOM 0 HB ILE B 393 -11.129 -9.110 -2.372 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -11.258 -6.884 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -9.833 -7.641 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -12.778 -7.464 -3.139 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -13.554 -8.967 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -13.572 -7.520 -1.547 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -10.176 -5.412 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -10.346 -6.656 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -11.794 -5.887 -2.513 1.00 0.00 H new ATOM 2097 N ARG B 394 -12.009 -11.756 -1.048 1.00 0.00 N ATOM 2098 CA ARG B 394 -12.646 -13.013 -1.426 1.00 0.00 C ATOM 2099 C ARG B 394 -13.557 -13.466 -0.293 1.00 0.00 C ATOM 2100 O ARG B 394 -14.652 -13.977 -0.521 1.00 0.00 O ATOM 2101 CB ARG B 394 -11.598 -14.081 -1.732 1.00 0.00 C ATOM 2102 CG ARG B 394 -10.588 -13.651 -2.783 1.00 0.00 C ATOM 2103 CD ARG B 394 -11.257 -13.373 -4.120 1.00 0.00 C ATOM 2104 NE ARG B 394 -11.896 -14.567 -4.662 1.00 0.00 N ATOM 2105 CZ ARG B 394 -13.039 -14.557 -5.340 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -13.706 -13.423 -5.514 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -13.535 -15.690 -5.814 1.00 0.00 N ATOM 0 H ARG B 394 -10.992 -11.800 -0.980 1.00 0.00 H new ATOM 0 HA ARG B 394 -13.236 -12.861 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -11.069 -14.335 -0.813 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -12.101 -14.987 -2.071 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -10.067 -12.756 -2.443 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -9.836 -14.430 -2.907 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -12.001 -12.586 -3.998 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -10.515 -13.004 -4.828 1.00 0.00 H new ATOM 0 HE ARG B 394 -11.437 -15.465 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -13.342 -12.553 -5.126 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -14.583 -13.422 -6.035 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -13.040 -16.568 -5.658 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -14.412 -15.684 -6.335 1.00 0.00 H new ATOM 2121 N ALA B 395 -13.092 -13.242 0.933 1.00 0.00 N ATOM 2122 CA ALA B 395 -13.857 -13.582 2.120 1.00 0.00 C ATOM 2123 C ALA B 395 -14.858 -12.469 2.406 1.00 0.00 C ATOM 2124 O ALA B 395 -15.964 -12.715 2.892 1.00 0.00 O ATOM 2125 CB ALA B 395 -12.930 -13.790 3.310 1.00 0.00 C ATOM 0 H ALA B 395 -12.182 -12.823 1.127 1.00 0.00 H new ATOM 0 HA ALA B 395 -14.396 -14.514 1.949 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -13.520 -14.044 4.191 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -12.235 -14.601 3.092 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -12.371 -12.874 3.500 1.00 0.00 H new ATOM 2131 N LYS B 396 -14.459 -11.240 2.076 1.00 0.00 N ATOM 2132 CA LYS B 396 -15.307 -10.068 2.270 1.00 0.00 C ATOM 2133 C LYS B 396 -16.599 -10.199 1.467 1.00 0.00 C ATOM 2134 O LYS B 396 -17.642 -9.681 1.867 1.00 0.00 O ATOM 2135 CB LYS B 396 -14.558 -8.792 1.861 1.00 0.00 C ATOM 2136 CG LYS B 396 -15.393 -7.529 2.005 1.00 0.00 C ATOM 2137 CD LYS B 396 -14.785 -6.352 1.257 1.00 0.00 C ATOM 2138 CE LYS B 396 -15.491 -5.051 1.621 1.00 0.00 C ATOM 2139 NZ LYS B 396 -15.479 -4.792 3.089 1.00 0.00 N ATOM 0 H LYS B 396 -13.547 -11.032 1.670 1.00 0.00 H new ATOM 0 HA LYS B 396 -15.562 -10.002 3.328 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -13.659 -8.696 2.470 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -14.232 -8.887 0.825 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -16.399 -7.716 1.630 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -15.488 -7.277 3.061 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -13.724 -6.274 1.495 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -14.859 -6.522 0.183 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -15.008 -4.222 1.104 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -16.522 -5.089 1.269 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -16.434 -4.935 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -14.817 -5.447 3.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -15.178 -3.813 3.266 1.00 0.00 H new