USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 812 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 65 LYS NZ :NH3+ -122:sc= 1.76 (180deg=-3.76!) USER MOD Set 1.2: A 67 TYR OH : rot 123:sc= 1.82 USER MOD Set 1.3: A 103 CYS SG : rot 125:sc= -1.76 USER MOD Set 1.4: A 104 GLN : amide:sc= -0.0489 K(o=1.8,f=0.85) USER MOD Set 2.1: A 43 SER OG : rot -100:sc= 1.27 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0.132 USER MOD Set 2.3: A 46 ASN : amide:sc= -8.09! C(o=-6.7!,f=-15!) USER MOD Set 3.1: A 20 SER OG : rot 146:sc=-0.00289 USER MOD Set 3.2: A 22 LYS NZ :NH3+ -167:sc= -0.537 (180deg=-1.01) USER MOD Set 4.1: A 13 LYS NZ :NH3+ 136:sc= 2.61 (180deg=-0.5) USER MOD Set 4.2: A 27 GLN : amide:sc= -2.8! K(o=-0.19!,f=-4.2) USER MOD Single : A 18 THR OG1 : rot -54:sc= 0.453 USER MOD Single : A 32 MET CE :methyl -175:sc= -0.169 (180deg=-0.17) USER MOD Single : A 33 ASN : amide:sc= -0.0292 K(o=-0.029,f=-0.56) USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0286) USER MOD Single : A 37 SER OG : rot -84:sc= 1.15 USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= -0.0299 (180deg=-0.0322) USER MOD Single : A 51 SER OG : rot 7:sc= 0.0754 USER MOD Single : A 53 SER OG : rot -144:sc= 0.0131 USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= 1.5 (180deg=1.16) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 59 THR OG1 : rot -25:sc= 0.864 USER MOD Single : A 60 GLN : amide:sc=-0.00115 X(o=-0.0012,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -0.259 K(o=-0.26,f=-1.6) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -52:sc= 1.2 USER MOD Single : A 74 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.0043) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 89 GLN : amide:sc= -1.47 K(o=-1.5,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.945 X(o=-0.94,f=-0.81) USER MOD Single : A 94 HIS : no HD1:sc= -0.0448 X(o=-0.045,f=0) USER MOD Single : A 95 TYR OH : rot -89:sc= -0.57 USER MOD Single : A 96 SER OG : rot 36:sc= 1.24 USER MOD Single : A 97 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00638) USER MOD Single : A 98 LYS NZ :NH3+ 146:sc= 0.621 (180deg=-1.52!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -140:sc= -0.0136 USER MOD Single : A 110 CYS SG : rot 112:sc= -1.18 USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 -8.807 -1.348 -8.324 1.00 0.00 N ATOM 172 CA LYS A 13 -7.639 -1.954 -7.720 1.00 0.00 C ATOM 173 C LYS A 13 -6.342 -1.279 -8.128 1.00 0.00 C ATOM 174 O LYS A 13 -5.362 -1.534 -7.440 1.00 0.00 O ATOM 175 CB LYS A 13 -7.595 -3.437 -8.092 1.00 0.00 C ATOM 176 CG LYS A 13 -8.753 -4.212 -7.463 1.00 0.00 C ATOM 177 CD LYS A 13 -8.560 -4.415 -5.953 1.00 0.00 C ATOM 178 CE LYS A 13 -9.525 -5.464 -5.408 1.00 0.00 C ATOM 179 NZ LYS A 13 -9.958 -5.233 -4.043 1.00 0.00 N ATOM 0 HA LYS A 13 -7.728 -1.830 -6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.633 -3.542 -9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.649 -3.867 -7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.686 -3.676 -7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.846 -5.183 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.534 -4.723 -5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.716 -3.469 -5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.403 -5.501 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.047 -6.442 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.983 -5.396 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.458 -5.885 -3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.744 -4.252 -3.772 1.00 0.00 H new ATOM 193 N TRP A 14 -6.292 -0.430 -9.203 1.00 0.00 N ATOM 194 CA TRP A 14 -4.960 0.154 -9.469 1.00 0.00 C ATOM 195 C TRP A 14 -4.536 0.966 -8.231 1.00 0.00 C ATOM 196 O TRP A 14 -3.435 0.842 -7.711 1.00 0.00 O ATOM 197 CB TRP A 14 -4.755 0.877 -10.831 1.00 0.00 C ATOM 198 CG TRP A 14 -5.045 2.374 -10.926 1.00 0.00 C ATOM 199 CD1 TRP A 14 -6.005 2.959 -11.758 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.339 3.481 -10.308 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.923 4.310 -11.684 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.912 4.678 -10.808 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.306 3.563 -9.410 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.433 5.896 -10.395 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -2.832 4.800 -8.984 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.399 5.968 -9.477 1.00 0.00 C ATOM 0 H TRP A 14 -7.058 -0.166 -9.822 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.272 -0.678 -9.620 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.719 0.723 -11.133 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -5.380 0.373 -11.568 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.709 2.414 -12.370 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.518 4.961 -12.197 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -2.856 2.658 -9.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.865 6.804 -10.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.023 4.852 -8.270 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.035 6.929 -9.145 1.00 0.00 H new ATOM 217 N PHE A 15 -5.540 1.757 -7.793 1.00 0.00 N ATOM 218 CA PHE A 15 -5.436 2.587 -6.606 1.00 0.00 C ATOM 219 C PHE A 15 -6.175 1.852 -5.473 1.00 0.00 C ATOM 220 O PHE A 15 -7.353 1.536 -5.595 1.00 0.00 O ATOM 221 CB PHE A 15 -6.078 3.954 -6.885 1.00 0.00 C ATOM 222 CG PHE A 15 -5.859 4.920 -5.751 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.693 5.674 -5.692 1.00 0.00 C ATOM 224 CD2 PHE A 15 -6.809 5.067 -4.746 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.474 6.562 -4.646 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.596 5.952 -3.698 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.427 6.701 -3.647 1.00 0.00 C ATOM 0 H PHE A 15 -6.442 1.827 -8.265 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.397 2.757 -6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.661 4.370 -7.802 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.148 3.826 -7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.949 5.569 -6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.720 4.488 -4.781 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.564 7.143 -4.611 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.339 6.058 -2.922 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.260 7.390 -2.832 1.00 0.00 H new ATOM 237 N PHE A 16 -5.415 1.590 -4.383 1.00 0.00 N ATOM 238 CA PHE A 16 -5.994 0.881 -3.245 1.00 0.00 C ATOM 239 C PHE A 16 -5.509 1.497 -1.935 1.00 0.00 C ATOM 240 O PHE A 16 -4.525 2.220 -1.886 1.00 0.00 O ATOM 241 CB PHE A 16 -5.645 -0.636 -3.327 1.00 0.00 C ATOM 242 CG PHE A 16 -6.827 -1.495 -2.975 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.069 -1.261 -3.562 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.694 -2.514 -2.039 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.182 -1.993 -3.187 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.821 -3.240 -1.656 1.00 0.00 C ATOM 247 CZ PHE A 16 -9.059 -2.985 -2.231 1.00 0.00 C ATOM 0 H PHE A 16 -4.435 1.853 -4.279 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.079 0.978 -3.275 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.306 -0.878 -4.334 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.819 -0.857 -2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.164 -0.498 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.728 -2.741 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.142 -1.791 -3.639 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.730 -4.009 -0.904 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.923 -3.560 -1.933 1.00 0.00 H new ATOM 257 N ARG A 17 -6.287 1.175 -0.878 1.00 0.00 N ATOM 258 CA ARG A 17 -5.952 1.642 0.465 1.00 0.00 C ATOM 259 C ARG A 17 -4.783 0.803 1.010 1.00 0.00 C ATOM 260 O ARG A 17 -4.199 -0.008 0.305 1.00 0.00 O ATOM 261 CB ARG A 17 -7.198 1.559 1.372 1.00 0.00 C ATOM 262 CG ARG A 17 -8.018 2.851 1.341 1.00 0.00 C ATOM 263 CD ARG A 17 -9.146 2.838 2.383 1.00 0.00 C ATOM 264 NE ARG A 17 -9.989 4.029 2.297 1.00 0.00 N ATOM 265 CZ ARG A 17 -9.603 5.246 2.736 1.00 0.00 C ATOM 266 NH1 ARG A 17 -8.389 5.455 3.229 1.00 0.00 N ATOM 267 NH2 ARG A 17 -10.456 6.258 2.666 1.00 0.00 N ATOM 0 H ARG A 17 -7.131 0.606 -0.936 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.638 2.685 0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.823 0.725 1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.888 1.351 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.362 3.702 1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.444 2.987 0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.760 1.949 2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.715 2.771 3.382 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.917 3.936 1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.721 4.686 3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.124 6.385 3.554 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.390 6.112 2.284 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.178 7.183 2.994 1.00 0.00 H new ATOM 281 N THR A 18 -4.492 1.059 2.299 1.00 0.00 N ATOM 282 CA THR A 18 -3.428 0.395 3.032 1.00 0.00 C ATOM 283 C THR A 18 -3.862 -1.002 3.454 1.00 0.00 C ATOM 284 O THR A 18 -4.049 -1.313 4.623 1.00 0.00 O ATOM 285 CB THR A 18 -2.966 1.139 4.320 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.052 0.401 5.197 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.161 1.833 5.035 1.00 0.00 C ATOM 0 H THR A 18 -5.003 1.743 2.857 1.00 0.00 H new ATOM 0 HA THR A 18 -2.590 0.375 2.335 1.00 0.00 H new ATOM 0 HB THR A 18 -2.308 1.937 3.976 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.444 -0.469 5.421 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.803 2.343 5.930 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.616 2.559 4.361 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.902 1.084 5.316 1.00 0.00 H new ATOM 295 N ILE A 19 -4.009 -1.822 2.407 1.00 0.00 N ATOM 296 CA ILE A 19 -4.343 -3.216 2.599 1.00 0.00 C ATOM 297 C ILE A 19 -3.040 -3.821 3.121 1.00 0.00 C ATOM 298 O ILE A 19 -1.971 -3.264 2.897 1.00 0.00 O ATOM 299 CB ILE A 19 -4.742 -3.788 1.238 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.670 -4.993 1.340 1.00 0.00 C ATOM 301 CG2 ILE A 19 -3.562 -3.999 0.292 1.00 0.00 C ATOM 302 CD1 ILE A 19 -5.856 -5.712 -0.008 1.00 0.00 C ATOM 0 H ILE A 19 -3.901 -1.538 1.433 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.169 -3.411 3.283 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.339 -3.009 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.268 -5.696 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.642 -4.668 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.921 -4.407 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.066 -3.045 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.855 -4.696 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.526 -6.562 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.284 -5.020 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.890 -6.064 -0.369 1.00 0.00 H new ATOM 314 N SER A 20 -3.148 -4.954 3.820 1.00 0.00 N ATOM 315 CA SER A 20 -1.881 -5.490 4.321 1.00 0.00 C ATOM 316 C SER A 20 -1.067 -6.061 3.152 1.00 0.00 C ATOM 317 O SER A 20 -1.565 -6.339 2.070 1.00 0.00 O ATOM 318 CB SER A 20 -2.097 -6.608 5.377 1.00 0.00 C ATOM 319 OG SER A 20 -0.960 -7.435 5.869 1.00 0.00 O ATOM 0 H SER A 20 -4.000 -5.472 4.036 1.00 0.00 H new ATOM 0 HA SER A 20 -1.346 -4.670 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.550 -6.138 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.836 -7.296 4.966 1.00 0.00 H new ATOM 0 HG SER A 20 -1.104 -7.661 6.812 1.00 0.00 H new ATOM 325 N ARG A 21 0.222 -6.217 3.470 1.00 0.00 N ATOM 326 CA ARG A 21 1.200 -6.752 2.541 1.00 0.00 C ATOM 327 C ARG A 21 0.768 -8.121 1.983 1.00 0.00 C ATOM 328 O ARG A 21 0.946 -8.362 0.804 1.00 0.00 O ATOM 329 CB ARG A 21 2.599 -6.788 3.178 1.00 0.00 C ATOM 330 CG ARG A 21 3.718 -6.917 2.131 1.00 0.00 C ATOM 331 CD ARG A 21 5.115 -6.703 2.721 1.00 0.00 C ATOM 332 NE ARG A 21 5.297 -5.290 3.031 1.00 0.00 N ATOM 333 CZ ARG A 21 6.422 -4.809 3.601 1.00 0.00 C ATOM 334 NH1 ARG A 21 7.427 -5.617 3.908 1.00 0.00 N ATOM 335 NH2 ARG A 21 6.525 -3.511 3.856 1.00 0.00 N ATOM 0 H ARG A 21 0.609 -5.973 4.382 1.00 0.00 H new ATOM 0 HA ARG A 21 1.255 -6.080 1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.753 -5.880 3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.657 -7.626 3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.669 -7.906 1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.550 -6.191 1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.237 -7.303 3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.875 -7.033 2.013 1.00 0.00 H new ATOM 0 HE ARG A 21 4.544 -4.639 2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.356 -6.616 3.714 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.271 -5.240 4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.757 -2.883 3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.373 -3.142 4.287 1.00 0.00 H new ATOM 349 N LYS A 22 0.178 -9.011 2.825 1.00 0.00 N ATOM 350 CA LYS A 22 -0.217 -10.285 2.221 1.00 0.00 C ATOM 351 C LYS A 22 -1.533 -10.210 1.451 1.00 0.00 C ATOM 352 O LYS A 22 -1.871 -11.100 0.684 1.00 0.00 O ATOM 353 CB LYS A 22 -0.316 -11.431 3.225 1.00 0.00 C ATOM 354 CG LYS A 22 -1.593 -11.541 4.056 1.00 0.00 C ATOM 355 CD LYS A 22 -1.816 -10.357 4.964 1.00 0.00 C ATOM 356 CE LYS A 22 -3.051 -10.544 5.851 1.00 0.00 C ATOM 357 NZ LYS A 22 -3.584 -9.289 6.359 1.00 0.00 N ATOM 0 H LYS A 22 -0.015 -8.884 3.819 1.00 0.00 H new ATOM 0 HA LYS A 22 0.594 -10.493 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.190 -12.366 2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.525 -11.347 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.447 -11.643 3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.550 -12.449 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.937 -10.210 5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.933 -9.455 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.826 -11.057 5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.793 -11.189 6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.269 -9.484 7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.807 -8.709 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.057 -8.776 5.588 1.00 0.00 H new ATOM 371 N ASP A 23 -2.254 -9.107 1.724 1.00 0.00 N ATOM 372 CA ASP A 23 -3.559 -8.933 1.132 1.00 0.00 C ATOM 373 C ASP A 23 -3.465 -8.458 -0.311 1.00 0.00 C ATOM 374 O ASP A 23 -4.062 -9.014 -1.218 1.00 0.00 O ATOM 375 CB ASP A 23 -4.413 -7.956 1.955 1.00 0.00 C ATOM 376 CG ASP A 23 -4.878 -8.512 3.310 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.022 -9.726 3.447 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.113 -7.715 4.215 1.00 0.00 O ATOM 0 H ASP A 23 -1.951 -8.350 2.337 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.043 -9.910 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.839 -7.045 2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.289 -7.676 1.370 1.00 0.00 H new ATOM 383 N ALA A 24 -2.683 -7.391 -0.465 1.00 0.00 N ATOM 384 CA ALA A 24 -2.474 -6.799 -1.786 1.00 0.00 C ATOM 385 C ALA A 24 -1.840 -7.820 -2.738 1.00 0.00 C ATOM 386 O ALA A 24 -2.096 -7.858 -3.934 1.00 0.00 O ATOM 387 CB ALA A 24 -1.560 -5.588 -1.642 1.00 0.00 C ATOM 0 H ALA A 24 -2.190 -6.924 0.296 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.434 -6.494 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.396 -5.137 -2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.025 -4.858 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.604 -5.901 -1.222 1.00 0.00 H new ATOM 393 N GLU A 25 -1.017 -8.654 -2.082 1.00 0.00 N ATOM 394 CA GLU A 25 -0.307 -9.721 -2.733 1.00 0.00 C ATOM 395 C GLU A 25 -1.301 -10.838 -3.061 1.00 0.00 C ATOM 396 O GLU A 25 -1.151 -11.507 -4.066 1.00 0.00 O ATOM 397 CB GLU A 25 0.815 -10.168 -1.787 1.00 0.00 C ATOM 398 CG GLU A 25 2.094 -9.297 -1.809 1.00 0.00 C ATOM 399 CD GLU A 25 1.946 -7.752 -1.763 1.00 0.00 C ATOM 400 OE1 GLU A 25 1.186 -7.196 -2.547 1.00 0.00 O ATOM 401 OE2 GLU A 25 2.613 -7.110 -0.954 1.00 0.00 O ATOM 0 H GLU A 25 -0.837 -8.591 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 25 0.147 -9.414 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.424 -10.182 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.090 -11.193 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.711 -9.595 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.650 -9.549 -2.712 1.00 0.00 H new ATOM 408 N ARG A 26 -2.349 -10.997 -2.211 1.00 0.00 N ATOM 409 CA ARG A 26 -3.336 -12.046 -2.490 1.00 0.00 C ATOM 410 C ARG A 26 -4.078 -11.713 -3.800 1.00 0.00 C ATOM 411 O ARG A 26 -4.458 -12.576 -4.582 1.00 0.00 O ATOM 412 CB ARG A 26 -4.363 -12.210 -1.331 1.00 0.00 C ATOM 413 CG ARG A 26 -5.682 -11.381 -1.361 1.00 0.00 C ATOM 414 CD ARG A 26 -6.179 -10.811 -0.023 1.00 0.00 C ATOM 415 NE ARG A 26 -7.639 -10.806 -0.024 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.365 -10.483 1.064 1.00 0.00 C ATOM 417 NH1 ARG A 26 -7.785 -10.136 2.207 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.689 -10.515 0.994 1.00 0.00 N ATOM 0 H ARG A 26 -2.519 -10.440 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.801 -12.991 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.639 -13.263 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.848 -11.973 -0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.544 -10.550 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.469 -12.012 -1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.805 -11.413 0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.799 -9.800 0.120 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.129 -11.057 -0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.768 -10.110 2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.357 -9.896 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.147 -10.782 0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.249 -10.272 1.811 1.00 0.00 H new ATOM 432 N GLN A 27 -4.225 -10.377 -3.955 1.00 0.00 N ATOM 433 CA GLN A 27 -4.919 -9.811 -5.099 1.00 0.00 C ATOM 434 C GLN A 27 -4.089 -9.932 -6.389 1.00 0.00 C ATOM 435 O GLN A 27 -4.597 -10.405 -7.400 1.00 0.00 O ATOM 436 CB GLN A 27 -5.339 -8.351 -4.813 1.00 0.00 C ATOM 437 CG GLN A 27 -6.284 -8.227 -3.597 1.00 0.00 C ATOM 438 CD GLN A 27 -6.863 -6.818 -3.345 1.00 0.00 C ATOM 439 OE1 GLN A 27 -7.949 -6.666 -2.800 1.00 0.00 O ATOM 440 NE2 GLN A 27 -6.085 -5.804 -3.737 1.00 0.00 N ATOM 0 H GLN A 27 -3.868 -9.686 -3.296 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.827 -10.391 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.447 -7.749 -4.637 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.832 -7.940 -5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.113 -8.922 -3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.743 -8.543 -2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.189 -5.993 -4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.387 -4.842 -3.587 1.00 0.00 H new ATOM 449 N LEU A 28 -2.796 -9.530 -6.318 1.00 0.00 N ATOM 450 CA LEU A 28 -2.016 -9.593 -7.549 1.00 0.00 C ATOM 451 C LEU A 28 -1.609 -11.026 -7.922 1.00 0.00 C ATOM 452 O LEU A 28 -1.586 -11.372 -9.093 1.00 0.00 O ATOM 453 CB LEU A 28 -0.897 -8.560 -7.513 1.00 0.00 C ATOM 454 CG LEU A 28 -1.480 -7.163 -7.320 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.348 -6.154 -7.171 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.433 -6.789 -8.466 1.00 0.00 C ATOM 0 H LEU A 28 -2.314 -9.187 -5.487 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.644 -9.307 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.206 -8.789 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.325 -8.599 -8.440 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.075 -7.151 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.765 -5.157 -7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.261 -6.415 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.272 -6.167 -8.068 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.830 -5.788 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.891 -6.809 -9.411 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.255 -7.504 -8.504 1.00 0.00 H new ATOM 468 N LEU A 29 -1.355 -11.858 -6.888 1.00 0.00 N ATOM 469 CA LEU A 29 -0.987 -13.245 -7.130 1.00 0.00 C ATOM 470 C LEU A 29 -2.178 -14.040 -7.705 1.00 0.00 C ATOM 471 O LEU A 29 -1.993 -15.139 -8.209 1.00 0.00 O ATOM 472 CB LEU A 29 -0.482 -13.878 -5.832 1.00 0.00 C ATOM 473 CG LEU A 29 0.827 -13.246 -5.332 1.00 0.00 C ATOM 474 CD1 LEU A 29 1.040 -13.584 -3.860 1.00 0.00 C ATOM 475 CD2 LEU A 29 2.022 -13.718 -6.167 1.00 0.00 C ATOM 0 H LEU A 29 -1.400 -11.590 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.187 -13.273 -7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.247 -13.776 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.328 -14.946 -5.989 1.00 0.00 H new ATOM 0 HG LEU A 29 0.749 -12.164 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.970 -13.132 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.207 -13.196 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.095 -14.666 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.934 -13.255 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.110 -14.802 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.873 -13.433 -7.209 1.00 0.00 H new ATOM 487 N ALA A 30 -3.396 -13.445 -7.623 1.00 0.00 N ATOM 488 CA ALA A 30 -4.574 -14.108 -8.176 1.00 0.00 C ATOM 489 C ALA A 30 -4.324 -14.415 -9.672 1.00 0.00 C ATOM 490 O ALA A 30 -3.797 -13.583 -10.400 1.00 0.00 O ATOM 491 CB ALA A 30 -5.805 -13.196 -8.059 1.00 0.00 C ATOM 0 H ALA A 30 -3.572 -12.538 -7.192 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.755 -15.029 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.675 -13.704 -8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.988 -12.964 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.627 -12.272 -8.609 1.00 0.00 H new ATOM 497 N PRO A 31 -4.730 -15.640 -10.109 1.00 0.00 N ATOM 498 CA PRO A 31 -4.548 -16.070 -11.497 1.00 0.00 C ATOM 499 C PRO A 31 -5.421 -15.317 -12.524 1.00 0.00 C ATOM 500 O PRO A 31 -5.343 -15.557 -13.723 1.00 0.00 O ATOM 501 CB PRO A 31 -4.917 -17.561 -11.469 1.00 0.00 C ATOM 502 CG PRO A 31 -5.847 -17.700 -10.266 1.00 0.00 C ATOM 503 CD PRO A 31 -5.359 -16.657 -9.274 1.00 0.00 C ATOM 0 HA PRO A 31 -3.530 -15.863 -11.826 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.412 -17.865 -12.391 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.032 -18.187 -11.361 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.885 -17.523 -10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.797 -18.703 -9.842 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.183 -16.242 -8.693 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.651 -17.083 -8.563 1.00 0.00 H new ATOM 511 N MET A 32 -6.244 -14.392 -11.984 1.00 0.00 N ATOM 512 CA MET A 32 -7.147 -13.577 -12.761 1.00 0.00 C ATOM 513 C MET A 32 -6.415 -12.499 -13.592 1.00 0.00 C ATOM 514 O MET A 32 -6.892 -12.106 -14.649 1.00 0.00 O ATOM 515 CB MET A 32 -8.150 -13.014 -11.752 1.00 0.00 C ATOM 516 CG MET A 32 -9.246 -14.039 -11.427 1.00 0.00 C ATOM 517 SD MET A 32 -10.665 -13.306 -10.599 1.00 0.00 S ATOM 518 CE MET A 32 -10.471 -14.061 -8.976 1.00 0.00 C ATOM 0 H MET A 32 -6.285 -14.203 -10.982 1.00 0.00 H new ATOM 0 HA MET A 32 -7.662 -14.158 -13.526 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.630 -12.732 -10.837 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.604 -12.108 -12.153 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.576 -14.516 -12.350 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.828 -14.823 -10.795 1.00 0.00 H new ATOM 0 HE1 MET A 32 -11.318 -13.791 -8.346 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.428 -15.145 -9.082 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.549 -13.705 -8.517 1.00 0.00 H new ATOM 528 N ASN A 33 -5.246 -12.058 -13.069 1.00 0.00 N ATOM 529 CA ASN A 33 -4.425 -11.054 -13.761 1.00 0.00 C ATOM 530 C ASN A 33 -2.936 -11.451 -13.697 1.00 0.00 C ATOM 531 O ASN A 33 -2.547 -12.399 -13.025 1.00 0.00 O ATOM 532 CB ASN A 33 -4.616 -9.638 -13.179 1.00 0.00 C ATOM 533 CG ASN A 33 -6.041 -9.099 -13.361 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.325 -8.362 -14.295 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.904 -9.478 -12.407 1.00 0.00 N ATOM 0 H ASN A 33 -4.860 -12.381 -12.182 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.755 -11.028 -14.799 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.373 -9.653 -12.117 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.913 -8.957 -13.658 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.869 -9.148 -12.432 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.596 -10.096 -11.657 1.00 0.00 H new ATOM 542 N LYS A 34 -2.146 -10.661 -14.455 1.00 0.00 N ATOM 543 CA LYS A 34 -0.698 -10.847 -14.546 1.00 0.00 C ATOM 544 C LYS A 34 0.031 -9.499 -14.380 1.00 0.00 C ATOM 545 O LYS A 34 -0.598 -8.451 -14.316 1.00 0.00 O ATOM 546 CB LYS A 34 -0.315 -11.554 -15.861 1.00 0.00 C ATOM 547 CG LYS A 34 -1.032 -11.045 -17.121 1.00 0.00 C ATOM 548 CD LYS A 34 -0.976 -9.525 -17.309 1.00 0.00 C ATOM 549 CE LYS A 34 -1.491 -9.055 -18.672 1.00 0.00 C ATOM 550 NZ LYS A 34 -0.610 -9.431 -19.774 1.00 0.00 N ATOM 0 H LYS A 34 -2.499 -9.884 -15.014 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.377 -11.495 -13.730 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.760 -11.450 -16.009 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.520 -12.619 -15.753 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.590 -11.524 -17.995 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.076 -11.356 -17.081 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.564 -9.049 -16.524 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.054 -9.190 -17.184 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.481 -9.476 -18.845 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.604 -7.971 -18.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.935 -8.974 -20.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.361 -9.124 -19.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.628 -10.464 -19.896 1.00 0.00 H new ATOM 564 N ALA A 35 1.384 -9.599 -14.320 1.00 0.00 N ATOM 565 CA ALA A 35 2.308 -8.472 -14.188 1.00 0.00 C ATOM 566 C ALA A 35 1.791 -7.224 -14.924 1.00 0.00 C ATOM 567 O ALA A 35 1.682 -7.188 -16.144 1.00 0.00 O ATOM 568 CB ALA A 35 3.671 -8.875 -14.763 1.00 0.00 C ATOM 0 H ALA A 35 1.864 -10.498 -14.365 1.00 0.00 H new ATOM 0 HA ALA A 35 2.396 -8.223 -13.130 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.367 -8.041 -14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.058 -9.734 -14.214 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.559 -9.137 -15.815 1.00 0.00 H new ATOM 574 N GLY A 36 1.477 -6.229 -14.075 1.00 0.00 N ATOM 575 CA GLY A 36 0.942 -4.955 -14.514 1.00 0.00 C ATOM 576 C GLY A 36 -0.313 -4.591 -13.739 1.00 0.00 C ATOM 577 O GLY A 36 -0.673 -3.432 -13.570 1.00 0.00 O ATOM 0 H GLY A 36 1.593 -6.300 -13.064 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.693 -4.177 -14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.715 -5.000 -15.579 1.00 0.00 H new ATOM 581 N SER A 37 -0.949 -5.670 -13.254 1.00 0.00 N ATOM 582 CA SER A 37 -2.057 -5.518 -12.333 1.00 0.00 C ATOM 583 C SER A 37 -1.337 -5.077 -11.042 1.00 0.00 C ATOM 584 O SER A 37 -0.458 -5.774 -10.541 1.00 0.00 O ATOM 585 CB SER A 37 -2.774 -6.889 -12.154 1.00 0.00 C ATOM 586 OG SER A 37 -1.952 -8.121 -12.051 1.00 0.00 O ATOM 0 H SER A 37 -0.712 -6.634 -13.486 1.00 0.00 H new ATOM 0 HA SER A 37 -2.830 -4.817 -12.650 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.387 -6.825 -11.255 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.455 -7.017 -12.995 1.00 0.00 H new ATOM 0 HG SER A 37 -1.722 -8.437 -12.950 1.00 0.00 H new ATOM 592 N PHE A 38 -1.710 -3.851 -10.609 1.00 0.00 N ATOM 593 CA PHE A 38 -1.092 -3.221 -9.443 1.00 0.00 C ATOM 594 C PHE A 38 -2.170 -2.943 -8.349 1.00 0.00 C ATOM 595 O PHE A 38 -3.358 -3.199 -8.507 1.00 0.00 O ATOM 596 CB PHE A 38 -0.479 -1.856 -9.902 1.00 0.00 C ATOM 597 CG PHE A 38 0.868 -1.832 -10.608 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.340 -2.840 -11.439 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.701 -0.731 -10.416 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.588 -2.734 -12.052 1.00 0.00 C ATOM 601 CE2 PHE A 38 2.973 -0.648 -10.973 1.00 0.00 C ATOM 602 CZ PHE A 38 3.420 -1.653 -11.811 1.00 0.00 C ATOM 0 H PHE A 38 -2.434 -3.288 -11.055 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.327 -3.878 -9.030 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.202 -1.381 -10.565 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.394 -1.224 -9.018 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.733 -3.716 -11.612 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.345 0.090 -9.811 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.913 -3.511 -12.729 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.608 0.197 -10.752 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.397 -1.596 -12.268 1.00 0.00 H new ATOM 612 N LEU A 39 -1.601 -2.389 -7.250 1.00 0.00 N ATOM 613 CA LEU A 39 -2.178 -1.925 -5.980 1.00 0.00 C ATOM 614 C LEU A 39 -1.359 -0.702 -5.557 1.00 0.00 C ATOM 615 O LEU A 39 -0.159 -0.888 -5.464 1.00 0.00 O ATOM 616 CB LEU A 39 -1.804 -2.910 -4.845 1.00 0.00 C ATOM 617 CG LEU A 39 -2.713 -4.080 -4.521 1.00 0.00 C ATOM 618 CD1 LEU A 39 -3.651 -3.606 -3.419 1.00 0.00 C ATOM 619 CD2 LEU A 39 -3.470 -4.687 -5.691 1.00 0.00 C ATOM 0 H LEU A 39 -0.592 -2.241 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.251 -1.784 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.822 -3.319 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.693 -2.325 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.086 -4.913 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.330 -4.414 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.068 -3.312 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.227 -2.752 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.086 -5.514 -5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.108 -3.928 -6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.760 -5.055 -6.432 1.00 0.00 H new ATOM 631 N ILE A 40 -1.945 0.493 -5.256 1.00 0.00 N ATOM 632 CA ILE A 40 -1.008 1.554 -4.822 1.00 0.00 C ATOM 633 C ILE A 40 -1.485 1.795 -3.355 1.00 0.00 C ATOM 634 O ILE A 40 -2.230 2.708 -3.033 1.00 0.00 O ATOM 635 CB ILE A 40 -1.054 2.741 -5.840 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.298 3.460 -5.987 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.968 3.872 -5.364 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.608 3.798 -7.463 1.00 0.00 C ATOM 0 H ILE A 40 -2.937 0.726 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 40 0.060 1.337 -4.817 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.385 2.264 -6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.288 4.377 -5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.091 2.830 -5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.969 4.674 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.982 3.492 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.605 4.256 -4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.571 4.305 -7.526 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.643 2.878 -8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.171 4.449 -7.859 1.00 0.00 H new ATOM 650 N ARG A 41 -1.019 0.886 -2.475 1.00 0.00 N ATOM 651 CA ARG A 41 -1.490 0.919 -1.101 1.00 0.00 C ATOM 652 C ARG A 41 -0.968 2.144 -0.335 1.00 0.00 C ATOM 653 O ARG A 41 0.190 2.519 -0.465 1.00 0.00 O ATOM 654 CB ARG A 41 -1.150 -0.420 -0.413 1.00 0.00 C ATOM 655 CG ARG A 41 0.208 -0.541 0.302 1.00 0.00 C ATOM 656 CD ARG A 41 0.116 -1.532 1.464 1.00 0.00 C ATOM 657 NE ARG A 41 1.377 -1.537 2.199 1.00 0.00 N ATOM 658 CZ ARG A 41 1.464 -1.909 3.492 1.00 0.00 C ATOM 659 NH1 ARG A 41 0.402 -2.360 4.146 1.00 0.00 N ATOM 660 NH2 ARG A 41 2.629 -1.825 4.124 1.00 0.00 N ATOM 0 H ARG A 41 -0.344 0.152 -2.691 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.574 1.033 -1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.932 -0.628 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.201 -1.205 -1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.970 -0.870 -0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.518 0.436 0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.703 -1.256 2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.102 -2.531 1.087 1.00 0.00 H new ATOM 0 HE ARG A 41 2.227 -1.247 1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.498 -2.430 3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.485 -2.637 5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.453 -1.480 3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.700 -2.105 5.102 1.00 0.00 H new ATOM 674 N GLU A 42 -1.885 2.760 0.453 1.00 0.00 N ATOM 675 CA GLU A 42 -1.423 3.897 1.253 1.00 0.00 C ATOM 676 C GLU A 42 -0.492 3.354 2.347 1.00 0.00 C ATOM 677 O GLU A 42 -0.517 2.171 2.660 1.00 0.00 O ATOM 678 CB GLU A 42 -2.585 4.745 1.826 1.00 0.00 C ATOM 679 CG GLU A 42 -3.247 4.212 3.090 1.00 0.00 C ATOM 680 CD GLU A 42 -4.449 5.072 3.524 1.00 0.00 C ATOM 681 OE1 GLU A 42 -4.234 6.111 4.146 1.00 0.00 O ATOM 682 OE2 GLU A 42 -5.586 4.686 3.248 1.00 0.00 O ATOM 0 H GLU A 42 -2.869 2.508 0.544 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.876 4.590 0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.208 5.747 2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.349 4.845 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.578 3.187 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.514 4.181 3.897 1.00 0.00 H new ATOM 689 N SER A 43 0.360 4.255 2.853 1.00 0.00 N ATOM 690 CA SER A 43 1.271 3.867 3.917 1.00 0.00 C ATOM 691 C SER A 43 0.625 4.384 5.204 1.00 0.00 C ATOM 692 O SER A 43 0.644 5.565 5.498 1.00 0.00 O ATOM 693 CB SER A 43 2.616 4.542 3.596 1.00 0.00 C ATOM 694 OG SER A 43 3.834 4.141 4.348 1.00 0.00 O ATOM 0 H SER A 43 0.432 5.226 2.549 1.00 0.00 H new ATOM 0 HA SER A 43 1.450 2.797 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.818 4.381 2.537 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.484 5.615 3.735 1.00 0.00 H new ATOM 0 HG SER A 43 4.015 4.798 5.052 1.00 0.00 H new ATOM 700 N GLU A 44 0.038 3.439 5.953 1.00 0.00 N ATOM 701 CA GLU A 44 -0.683 3.780 7.175 1.00 0.00 C ATOM 702 C GLU A 44 0.148 4.534 8.232 1.00 0.00 C ATOM 703 O GLU A 44 -0.404 5.213 9.088 1.00 0.00 O ATOM 704 CB GLU A 44 -1.360 2.519 7.713 1.00 0.00 C ATOM 705 CG GLU A 44 -0.399 1.329 7.927 1.00 0.00 C ATOM 706 CD GLU A 44 -1.146 0.016 8.231 1.00 0.00 C ATOM 707 OE1 GLU A 44 -1.866 -0.039 9.227 1.00 0.00 O ATOM 708 OE2 GLU A 44 -0.991 -0.944 7.471 1.00 0.00 O ATOM 0 H GLU A 44 0.051 2.443 5.732 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.445 4.515 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.844 2.756 8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.145 2.218 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.214 1.197 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.279 1.557 8.750 1.00 0.00 H new ATOM 715 N SER A 45 1.480 4.411 8.109 1.00 0.00 N ATOM 716 CA SER A 45 2.411 5.076 9.011 1.00 0.00 C ATOM 717 C SER A 45 2.421 6.611 8.795 1.00 0.00 C ATOM 718 O SER A 45 2.626 7.397 9.710 1.00 0.00 O ATOM 719 CB SER A 45 3.811 4.516 8.641 1.00 0.00 C ATOM 720 OG SER A 45 4.264 4.633 7.233 1.00 0.00 O ATOM 0 H SER A 45 1.930 3.851 7.385 1.00 0.00 H new ATOM 0 HA SER A 45 2.131 4.896 10.049 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.547 5.017 9.270 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.829 3.460 8.910 1.00 0.00 H new ATOM 0 HG SER A 45 5.159 4.243 7.144 1.00 0.00 H new ATOM 726 N ASN A 46 2.181 6.962 7.519 1.00 0.00 N ATOM 727 CA ASN A 46 2.149 8.299 6.957 1.00 0.00 C ATOM 728 C ASN A 46 0.996 8.492 5.965 1.00 0.00 C ATOM 729 O ASN A 46 0.980 7.954 4.867 1.00 0.00 O ATOM 730 CB ASN A 46 3.463 8.591 6.230 1.00 0.00 C ATOM 731 CG ASN A 46 4.141 7.374 5.640 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.485 6.430 5.262 1.00 0.00 O ATOM 733 ND2 ASN A 46 5.480 7.438 5.577 1.00 0.00 N ATOM 0 H ASN A 46 1.991 6.254 6.810 1.00 0.00 H new ATOM 0 HA ASN A 46 2.003 8.985 7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.269 9.306 5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.150 9.071 6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.010 6.657 5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.967 8.268 5.915 1.00 0.00 H new ATOM 740 N LYS A 47 0.074 9.374 6.393 1.00 0.00 N ATOM 741 CA LYS A 47 -1.092 9.716 5.577 1.00 0.00 C ATOM 742 C LYS A 47 -0.735 10.618 4.364 1.00 0.00 C ATOM 743 O LYS A 47 -1.601 11.091 3.640 1.00 0.00 O ATOM 744 CB LYS A 47 -2.230 10.287 6.428 1.00 0.00 C ATOM 745 CG LYS A 47 -1.729 11.373 7.369 1.00 0.00 C ATOM 746 CD LYS A 47 -1.362 10.836 8.761 1.00 0.00 C ATOM 747 CE LYS A 47 -2.513 10.923 9.772 1.00 0.00 C ATOM 748 NZ LYS A 47 -3.625 10.035 9.443 1.00 0.00 N ATOM 0 H LYS A 47 0.118 9.855 7.291 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.459 8.784 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.003 10.696 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.691 9.486 7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.855 11.853 6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.497 12.140 7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.047 9.797 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.509 11.395 9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.138 10.675 10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.875 11.950 9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.366 10.123 10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.016 10.297 8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.287 9.052 9.411 1.00 0.00 H new ATOM 762 N GLY A 48 0.595 10.818 4.216 1.00 0.00 N ATOM 763 CA GLY A 48 1.210 11.592 3.157 1.00 0.00 C ATOM 764 C GLY A 48 2.256 10.752 2.392 1.00 0.00 C ATOM 765 O GLY A 48 3.185 11.279 1.793 1.00 0.00 O ATOM 0 H GLY A 48 1.278 10.423 4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.443 11.942 2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.687 12.477 3.579 1.00 0.00 H new ATOM 769 N ALA A 49 2.057 9.416 2.468 1.00 0.00 N ATOM 770 CA ALA A 49 2.938 8.470 1.775 1.00 0.00 C ATOM 771 C ALA A 49 2.130 7.234 1.298 1.00 0.00 C ATOM 772 O ALA A 49 1.051 6.968 1.814 1.00 0.00 O ATOM 773 CB ALA A 49 4.074 8.074 2.729 1.00 0.00 C ATOM 0 H ALA A 49 1.302 8.980 2.997 1.00 0.00 H new ATOM 0 HA ALA A 49 3.369 8.932 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.740 7.370 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.635 8.963 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.655 7.607 3.620 1.00 0.00 H new ATOM 779 N PHE A 50 2.694 6.514 0.287 1.00 0.00 N ATOM 780 CA PHE A 50 2.054 5.315 -0.285 1.00 0.00 C ATOM 781 C PHE A 50 3.144 4.237 -0.539 1.00 0.00 C ATOM 782 O PHE A 50 4.290 4.344 -0.119 1.00 0.00 O ATOM 783 CB PHE A 50 1.245 5.650 -1.588 1.00 0.00 C ATOM 784 CG PHE A 50 0.125 6.645 -1.386 1.00 0.00 C ATOM 785 CD1 PHE A 50 0.388 7.998 -1.187 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.202 6.222 -1.406 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.647 8.906 -0.991 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.241 7.125 -1.216 1.00 0.00 C ATOM 789 CZ PHE A 50 -1.963 8.468 -1.009 1.00 0.00 C ATOM 0 H PHE A 50 3.589 6.751 -0.141 1.00 0.00 H new ATOM 0 HA PHE A 50 1.326 4.924 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.932 6.042 -2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.827 4.727 -1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.410 8.347 -1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.426 5.179 -1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.427 9.950 -0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.265 6.781 -1.230 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.769 9.171 -0.862 1.00 0.00 H new ATOM 799 N SER A 51 2.696 3.187 -1.257 1.00 0.00 N ATOM 800 CA SER A 51 3.504 2.050 -1.684 1.00 0.00 C ATOM 801 C SER A 51 2.814 1.457 -2.922 1.00 0.00 C ATOM 802 O SER A 51 1.774 1.945 -3.342 1.00 0.00 O ATOM 803 CB SER A 51 3.658 0.988 -0.547 1.00 0.00 C ATOM 804 OG SER A 51 4.276 1.330 0.759 1.00 0.00 O ATOM 0 H SER A 51 1.725 3.115 -1.561 1.00 0.00 H new ATOM 0 HA SER A 51 4.518 2.370 -1.924 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.660 0.606 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.234 0.161 -0.963 1.00 0.00 H new ATOM 0 HG SER A 51 4.441 2.295 0.800 1.00 0.00 H new ATOM 810 N LEU A 52 3.439 0.394 -3.475 1.00 0.00 N ATOM 811 CA LEU A 52 2.892 -0.220 -4.681 1.00 0.00 C ATOM 812 C LEU A 52 3.356 -1.683 -4.793 1.00 0.00 C ATOM 813 O LEU A 52 4.518 -2.009 -4.592 1.00 0.00 O ATOM 814 CB LEU A 52 3.460 0.648 -5.835 1.00 0.00 C ATOM 815 CG LEU A 52 2.961 0.423 -7.274 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.438 0.433 -7.347 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.540 1.513 -8.199 1.00 0.00 C ATOM 0 H LEU A 52 4.291 -0.036 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 52 1.802 -0.251 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.268 1.691 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.542 0.515 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 52 3.303 -0.559 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.122 0.271 -8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.038 -0.361 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.063 1.396 -7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.186 1.352 -9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.215 2.494 -7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.629 1.464 -8.182 1.00 0.00 H new ATOM 829 N SER A 53 2.348 -2.523 -5.103 1.00 0.00 N ATOM 830 CA SER A 53 2.500 -3.960 -5.289 1.00 0.00 C ATOM 831 C SER A 53 2.202 -4.233 -6.765 1.00 0.00 C ATOM 832 O SER A 53 1.278 -3.665 -7.331 1.00 0.00 O ATOM 833 CB SER A 53 1.502 -4.706 -4.354 1.00 0.00 C ATOM 834 OG SER A 53 1.173 -4.142 -3.017 1.00 0.00 O ATOM 0 H SER A 53 1.388 -2.203 -5.231 1.00 0.00 H new ATOM 0 HA SER A 53 3.501 -4.310 -5.037 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.565 -4.814 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.895 -5.710 -4.195 1.00 0.00 H new ATOM 0 HG SER A 53 1.053 -4.872 -2.374 1.00 0.00 H new ATOM 840 N VAL A 54 3.044 -5.106 -7.350 1.00 0.00 N ATOM 841 CA VAL A 54 2.918 -5.478 -8.765 1.00 0.00 C ATOM 842 C VAL A 54 3.224 -6.964 -8.847 1.00 0.00 C ATOM 843 O VAL A 54 4.023 -7.428 -8.058 1.00 0.00 O ATOM 844 CB VAL A 54 3.933 -4.703 -9.609 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.906 -5.111 -11.089 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.827 -3.216 -9.290 1.00 0.00 C ATOM 0 H VAL A 54 3.815 -5.563 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 54 1.921 -5.249 -9.141 1.00 0.00 H new ATOM 0 HB VAL A 54 4.951 -4.979 -9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.645 -4.530 -11.640 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.138 -6.172 -11.178 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.915 -4.921 -11.501 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.549 -2.663 -9.890 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.821 -2.866 -9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.035 -3.055 -8.232 1.00 0.00 H new ATOM 856 N LYS A 55 2.615 -7.699 -9.802 1.00 0.00 N ATOM 857 CA LYS A 55 2.922 -9.132 -9.828 1.00 0.00 C ATOM 858 C LYS A 55 4.241 -9.480 -10.570 1.00 0.00 C ATOM 859 O LYS A 55 4.282 -9.346 -11.785 1.00 0.00 O ATOM 860 CB LYS A 55 1.745 -9.823 -10.500 1.00 0.00 C ATOM 861 CG LYS A 55 1.717 -11.338 -10.328 1.00 0.00 C ATOM 862 CD LYS A 55 0.569 -11.916 -11.146 1.00 0.00 C ATOM 863 CE LYS A 55 0.306 -13.391 -10.863 1.00 0.00 C ATOM 864 NZ LYS A 55 -1.074 -13.786 -11.111 1.00 0.00 N ATOM 0 H LYS A 55 1.963 -7.356 -10.507 1.00 0.00 H new ATOM 0 HA LYS A 55 3.074 -9.472 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.820 -9.408 -10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.764 -9.591 -11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.664 -11.770 -10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.594 -11.594 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.337 -11.347 -10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.789 -11.791 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.967 -13.997 -11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.557 -13.605 -9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.128 -14.821 -11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.672 -13.475 -10.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.409 -13.345 -11.991 1.00 0.00 H new ATOM 878 N ASP A 56 5.307 -9.930 -9.835 1.00 0.00 N ATOM 879 CA ASP A 56 6.515 -10.325 -10.574 1.00 0.00 C ATOM 880 C ASP A 56 6.273 -11.744 -11.128 1.00 0.00 C ATOM 881 O ASP A 56 5.655 -12.579 -10.481 1.00 0.00 O ATOM 882 CB ASP A 56 7.804 -10.216 -9.732 1.00 0.00 C ATOM 883 CG ASP A 56 9.046 -10.538 -10.581 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.483 -9.662 -11.331 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.551 -11.657 -10.492 1.00 0.00 O ATOM 0 H ASP A 56 5.345 -10.018 -8.820 1.00 0.00 H new ATOM 0 HA ASP A 56 6.686 -9.631 -11.397 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.891 -9.210 -9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.749 -10.902 -8.886 1.00 0.00 H new ATOM 890 N ILE A 57 6.745 -11.952 -12.372 1.00 0.00 N ATOM 891 CA ILE A 57 6.566 -13.257 -13.012 1.00 0.00 C ATOM 892 C ILE A 57 7.887 -13.702 -13.661 1.00 0.00 C ATOM 893 O ILE A 57 8.484 -13.001 -14.467 1.00 0.00 O ATOM 894 CB ILE A 57 5.397 -13.227 -14.015 1.00 0.00 C ATOM 895 CG1 ILE A 57 4.098 -12.742 -13.329 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.196 -14.611 -14.662 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.838 -12.981 -14.155 1.00 0.00 C ATOM 0 H ILE A 57 7.236 -11.256 -12.933 1.00 0.00 H new ATOM 0 HA ILE A 57 6.301 -13.996 -12.255 1.00 0.00 H new ATOM 0 HB ILE A 57 5.645 -12.519 -14.806 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.994 -13.249 -12.370 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.186 -11.676 -13.118 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.365 -14.566 -15.367 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.104 -14.901 -15.190 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.976 -15.346 -13.888 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.969 -12.615 -13.608 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.919 -12.451 -15.104 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.724 -14.048 -14.344 1.00 0.00 H new ATOM 909 N THR A 58 8.279 -14.922 -13.237 1.00 0.00 N ATOM 910 CA THR A 58 9.492 -15.596 -13.688 1.00 0.00 C ATOM 911 C THR A 58 9.162 -17.057 -14.009 1.00 0.00 C ATOM 912 O THR A 58 8.112 -17.567 -13.635 1.00 0.00 O ATOM 913 CB THR A 58 10.595 -15.549 -12.584 1.00 0.00 C ATOM 914 OG1 THR A 58 11.848 -16.250 -12.870 1.00 0.00 O ATOM 915 CG2 THR A 58 10.021 -15.838 -11.162 1.00 0.00 C ATOM 0 H THR A 58 7.745 -15.467 -12.560 1.00 0.00 H new ATOM 0 HA THR A 58 9.867 -15.088 -14.576 1.00 0.00 H new ATOM 0 HB THR A 58 10.922 -14.509 -12.597 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.460 -16.150 -12.111 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.826 -15.794 -10.429 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.265 -15.092 -10.916 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.570 -16.830 -11.146 1.00 0.00 H new ATOM 923 N THR A 59 10.125 -17.711 -14.704 1.00 0.00 N ATOM 924 CA THR A 59 9.921 -19.113 -15.067 1.00 0.00 C ATOM 925 C THR A 59 10.109 -20.069 -13.874 1.00 0.00 C ATOM 926 O THR A 59 10.033 -21.279 -14.044 1.00 0.00 O ATOM 927 CB THR A 59 10.809 -19.592 -16.259 1.00 0.00 C ATOM 928 OG1 THR A 59 10.726 -21.015 -16.614 1.00 0.00 O ATOM 929 CG2 THR A 59 12.276 -19.073 -16.173 1.00 0.00 C ATOM 0 H THR A 59 11.009 -17.303 -15.008 1.00 0.00 H new ATOM 0 HA THR A 59 8.881 -19.152 -15.392 1.00 0.00 H new ATOM 0 HB THR A 59 10.340 -19.104 -17.114 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.446 -21.532 -15.830 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.842 -19.440 -17.029 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.277 -17.983 -16.177 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.736 -19.433 -15.253 1.00 0.00 H new ATOM 937 N GLN A 60 10.353 -19.492 -12.674 1.00 0.00 N ATOM 938 CA GLN A 60 10.534 -20.339 -11.493 1.00 0.00 C ATOM 939 C GLN A 60 9.450 -20.098 -10.417 1.00 0.00 C ATOM 940 O GLN A 60 9.521 -20.676 -9.340 1.00 0.00 O ATOM 941 CB GLN A 60 11.957 -20.206 -10.939 1.00 0.00 C ATOM 942 CG GLN A 60 13.021 -20.699 -11.939 1.00 0.00 C ATOM 943 CD GLN A 60 14.433 -20.382 -11.426 1.00 0.00 C ATOM 944 OE1 GLN A 60 14.891 -19.249 -11.462 1.00 0.00 O ATOM 945 NE2 GLN A 60 15.086 -21.451 -10.950 1.00 0.00 N ATOM 0 H GLN A 60 10.425 -18.488 -12.509 1.00 0.00 H new ATOM 0 HA GLN A 60 10.403 -21.374 -11.809 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.152 -19.163 -10.689 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.039 -20.776 -10.014 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.916 -21.773 -12.090 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.865 -20.224 -12.908 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.636 -22.366 -10.953 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.033 -21.349 -10.584 1.00 0.00 H new ATOM 954 N GLY A 61 8.451 -19.240 -10.744 1.00 0.00 N ATOM 955 CA GLY A 61 7.386 -18.991 -9.770 1.00 0.00 C ATOM 956 C GLY A 61 6.672 -17.647 -9.966 1.00 0.00 C ATOM 957 O GLY A 61 7.182 -16.714 -10.573 1.00 0.00 O ATOM 0 H GLY A 61 8.369 -18.738 -11.628 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.652 -19.795 -9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.809 -19.025 -8.766 1.00 0.00 H new ATOM 961 N GLU A 62 5.448 -17.627 -9.396 1.00 0.00 N ATOM 962 CA GLU A 62 4.575 -16.470 -9.409 1.00 0.00 C ATOM 963 C GLU A 62 4.815 -15.709 -8.086 1.00 0.00 C ATOM 964 O GLU A 62 4.830 -16.307 -7.016 1.00 0.00 O ATOM 965 CB GLU A 62 3.151 -17.028 -9.526 1.00 0.00 C ATOM 966 CG GLU A 62 2.235 -16.064 -10.267 1.00 0.00 C ATOM 967 CD GLU A 62 0.907 -16.745 -10.657 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.925 -17.631 -11.511 1.00 0.00 O ATOM 969 OE2 GLU A 62 -0.129 -16.372 -10.112 1.00 0.00 O ATOM 0 H GLU A 62 5.049 -18.431 -8.912 1.00 0.00 H new ATOM 0 HA GLU A 62 4.752 -15.774 -10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.175 -17.984 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.751 -17.220 -8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.031 -15.197 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.736 -15.698 -11.163 1.00 0.00 H new ATOM 976 N VAL A 63 5.012 -14.379 -8.217 1.00 0.00 N ATOM 977 CA VAL A 63 5.325 -13.537 -7.067 1.00 0.00 C ATOM 978 C VAL A 63 4.757 -12.115 -7.344 1.00 0.00 C ATOM 979 O VAL A 63 4.077 -11.898 -8.338 1.00 0.00 O ATOM 980 CB VAL A 63 6.865 -13.651 -6.880 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.644 -13.520 -8.199 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.458 -12.727 -5.806 1.00 0.00 C ATOM 0 H VAL A 63 4.958 -13.879 -9.104 1.00 0.00 H new ATOM 0 HA VAL A 63 4.867 -13.831 -6.123 1.00 0.00 H new ATOM 0 HB VAL A 63 6.995 -14.667 -6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.712 -13.608 -8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.335 -14.310 -8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.437 -12.549 -8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.536 -12.879 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.251 -11.689 -6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.008 -12.957 -4.840 1.00 0.00 H new ATOM 992 N VAL A 64 5.035 -11.190 -6.400 1.00 0.00 N ATOM 993 CA VAL A 64 4.637 -9.781 -6.448 1.00 0.00 C ATOM 994 C VAL A 64 5.945 -8.959 -6.285 1.00 0.00 C ATOM 995 O VAL A 64 7.011 -9.515 -6.480 1.00 0.00 O ATOM 996 CB VAL A 64 3.414 -9.596 -5.508 1.00 0.00 C ATOM 997 CG1 VAL A 64 3.137 -8.191 -4.993 1.00 0.00 C ATOM 998 CG2 VAL A 64 2.123 -9.949 -6.244 1.00 0.00 C ATOM 0 H VAL A 64 5.562 -11.420 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 64 4.228 -9.388 -7.379 1.00 0.00 H new ATOM 0 HB VAL A 64 3.683 -10.238 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.257 -8.206 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.996 -7.836 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.959 -7.523 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.274 -9.815 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.008 -9.297 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.164 -10.987 -6.574 1.00 0.00 H new ATOM 1008 N LYS A 65 5.851 -7.633 -6.046 1.00 0.00 N ATOM 1009 CA LYS A 65 6.990 -6.731 -5.781 1.00 0.00 C ATOM 1010 C LYS A 65 6.488 -5.655 -4.804 1.00 0.00 C ATOM 1011 O LYS A 65 5.321 -5.632 -4.437 1.00 0.00 O ATOM 1012 CB LYS A 65 7.785 -6.004 -6.902 1.00 0.00 C ATOM 1013 CG LYS A 65 8.136 -6.814 -8.137 1.00 0.00 C ATOM 1014 CD LYS A 65 6.847 -7.036 -8.889 1.00 0.00 C ATOM 1015 CE LYS A 65 6.948 -7.041 -10.421 1.00 0.00 C ATOM 1016 NZ LYS A 65 7.095 -5.720 -11.006 1.00 0.00 N ATOM 0 H LYS A 65 4.954 -7.148 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 65 7.741 -7.444 -5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.206 -5.137 -7.219 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.712 -5.627 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.859 -6.283 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.591 -7.765 -7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.424 -7.989 -8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.141 -6.260 -8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.798 -7.655 -10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.056 -7.512 -10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.317 -5.548 -11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.070 -5.002 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.003 -5.662 -11.509 1.00 0.00 H new ATOM 1030 N HIS A 66 7.435 -4.765 -4.455 1.00 0.00 N ATOM 1031 CA HIS A 66 7.215 -3.650 -3.548 1.00 0.00 C ATOM 1032 C HIS A 66 8.019 -2.416 -4.044 1.00 0.00 C ATOM 1033 O HIS A 66 9.172 -2.543 -4.442 1.00 0.00 O ATOM 1034 CB HIS A 66 7.791 -4.014 -2.165 1.00 0.00 C ATOM 1035 CG HIS A 66 7.235 -5.292 -1.571 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.962 -5.729 -1.692 1.00 0.00 N ATOM 1037 CD2 HIS A 66 7.945 -6.234 -0.806 1.00 0.00 C ATOM 1038 CE1 HIS A 66 5.907 -6.896 -1.026 1.00 0.00 C ATOM 1039 NE2 HIS A 66 7.089 -7.225 -0.480 1.00 0.00 N ATOM 0 H HIS A 66 8.390 -4.812 -4.809 1.00 0.00 H new ATOM 0 HA HIS A 66 6.147 -3.436 -3.501 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.874 -4.108 -2.249 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.595 -3.192 -1.476 1.00 0.00 H new ATOM 0 HD1 HIS A 66 5.199 -5.268 -2.187 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.987 -6.175 -0.529 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.015 -7.499 -0.940 1.00 0.00 H new ATOM 1047 N TYR A 67 7.359 -1.235 -3.992 1.00 0.00 N ATOM 1048 CA TYR A 67 7.984 0.038 -4.384 1.00 0.00 C ATOM 1049 C TYR A 67 7.425 1.114 -3.449 1.00 0.00 C ATOM 1050 O TYR A 67 6.215 1.260 -3.341 1.00 0.00 O ATOM 1051 CB TYR A 67 7.659 0.489 -5.828 1.00 0.00 C ATOM 1052 CG TYR A 67 7.805 -0.604 -6.841 1.00 0.00 C ATOM 1053 CD1 TYR A 67 6.764 -1.497 -7.015 1.00 0.00 C ATOM 1054 CD2 TYR A 67 8.963 -0.758 -7.591 1.00 0.00 C ATOM 1055 CE1 TYR A 67 6.882 -2.568 -7.879 1.00 0.00 C ATOM 1056 CE2 TYR A 67 9.088 -1.816 -8.485 1.00 0.00 C ATOM 1057 CZ TYR A 67 8.040 -2.730 -8.643 1.00 0.00 C ATOM 1058 OH TYR A 67 8.158 -3.795 -9.528 1.00 0.00 O ATOM 0 H TYR A 67 6.392 -1.144 -3.681 1.00 0.00 H new ATOM 0 HA TYR A 67 9.063 -0.101 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.638 0.870 -5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.316 1.315 -6.099 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.844 -1.355 -6.467 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.772 -0.052 -7.479 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.076 -3.282 -7.964 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.996 -1.933 -9.059 1.00 0.00 H new ATOM 0 HH TYR A 67 8.331 -3.453 -10.430 1.00 0.00 H new ATOM 1068 N LYS A 68 8.343 1.841 -2.776 1.00 0.00 N ATOM 1069 CA LYS A 68 7.870 2.898 -1.887 1.00 0.00 C ATOM 1070 C LYS A 68 7.624 4.191 -2.680 1.00 0.00 C ATOM 1071 O LYS A 68 8.342 4.556 -3.600 1.00 0.00 O ATOM 1072 CB LYS A 68 8.767 3.150 -0.668 1.00 0.00 C ATOM 1073 CG LYS A 68 10.190 3.547 -1.039 1.00 0.00 C ATOM 1074 CD LYS A 68 11.108 2.338 -1.253 1.00 0.00 C ATOM 1075 CE LYS A 68 12.105 2.131 -0.105 1.00 0.00 C ATOM 1076 NZ LYS A 68 11.450 1.801 1.158 1.00 0.00 N ATOM 0 H LYS A 68 9.354 1.720 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 68 6.927 2.543 -1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.325 3.937 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.797 2.249 -0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.169 4.147 -1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.604 4.177 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.498 1.441 -1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.658 2.467 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.797 1.332 -0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.698 3.037 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.169 1.672 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.809 2.574 1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.905 0.922 1.047 1.00 0.00 H new ATOM 1090 N ILE A 69 6.537 4.816 -2.216 1.00 0.00 N ATOM 1091 CA ILE A 69 5.979 6.079 -2.672 1.00 0.00 C ATOM 1092 C ILE A 69 5.791 7.082 -1.538 1.00 0.00 C ATOM 1093 O ILE A 69 5.618 6.804 -0.359 1.00 0.00 O ATOM 1094 CB ILE A 69 4.927 6.066 -3.804 1.00 0.00 C ATOM 1095 CG1 ILE A 69 4.108 4.780 -3.852 1.00 0.00 C ATOM 1096 CG2 ILE A 69 5.326 6.697 -5.144 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.295 4.660 -5.122 1.00 0.00 C ATOM 0 H ILE A 69 5.988 4.416 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 69 6.776 6.495 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 69 4.205 6.822 -3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.777 3.923 -3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.440 4.746 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.495 6.618 -5.845 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.574 7.747 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.193 6.174 -5.549 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.731 3.728 -5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.605 5.501 -5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.963 4.665 -5.983 1.00 0.00 H new ATOM 1109 N ARG A 70 5.905 8.289 -2.091 1.00 0.00 N ATOM 1110 CA ARG A 70 5.804 9.564 -1.445 1.00 0.00 C ATOM 1111 C ARG A 70 4.999 10.459 -2.366 1.00 0.00 C ATOM 1112 O ARG A 70 4.957 10.265 -3.572 1.00 0.00 O ATOM 1113 CB ARG A 70 7.209 10.135 -1.318 1.00 0.00 C ATOM 1114 CG ARG A 70 7.883 9.729 -0.008 1.00 0.00 C ATOM 1115 CD ARG A 70 8.567 10.966 0.546 1.00 0.00 C ATOM 1116 NE ARG A 70 9.296 10.678 1.770 1.00 0.00 N ATOM 1117 CZ ARG A 70 9.672 11.666 2.608 1.00 0.00 C ATOM 1118 NH1 ARG A 70 9.367 12.933 2.352 1.00 0.00 N ATOM 1119 NH2 ARG A 70 10.360 11.366 3.700 1.00 0.00 N ATOM 0 H ARG A 70 6.086 8.390 -3.090 1.00 0.00 H new ATOM 0 HA ARG A 70 5.338 9.488 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.815 9.793 -2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.164 11.222 -1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.148 9.346 0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.607 8.932 -0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.253 11.366 -0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.822 11.737 0.740 1.00 0.00 H new ATOM 0 HE ARG A 70 9.527 9.711 1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.841 13.171 1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.659 13.668 2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.601 10.395 3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.649 12.106 4.340 1.00 0.00 H new ATOM 1133 N SER A 71 4.373 11.429 -1.686 1.00 0.00 N ATOM 1134 CA SER A 71 3.579 12.451 -2.333 1.00 0.00 C ATOM 1135 C SER A 71 4.296 13.764 -2.011 1.00 0.00 C ATOM 1136 O SER A 71 4.409 14.145 -0.851 1.00 0.00 O ATOM 1137 CB SER A 71 2.177 12.459 -1.688 1.00 0.00 C ATOM 1138 OG SER A 71 2.094 12.596 -0.214 1.00 0.00 O ATOM 0 H SER A 71 4.411 11.516 -0.670 1.00 0.00 H new ATOM 0 HA SER A 71 3.470 12.294 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.609 13.276 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.675 11.533 -1.967 1.00 0.00 H new ATOM 0 HG SER A 71 2.675 11.930 0.210 1.00 0.00 H new ATOM 1144 N LEU A 72 4.798 14.411 -3.079 1.00 0.00 N ATOM 1145 CA LEU A 72 5.566 15.630 -2.936 1.00 0.00 C ATOM 1146 C LEU A 72 4.702 16.835 -3.264 1.00 0.00 C ATOM 1147 O LEU A 72 3.919 16.850 -4.206 1.00 0.00 O ATOM 1148 CB LEU A 72 6.781 15.576 -3.874 1.00 0.00 C ATOM 1149 CG LEU A 72 7.474 14.225 -3.893 1.00 0.00 C ATOM 1150 CD1 LEU A 72 7.760 13.752 -2.458 1.00 0.00 C ATOM 1151 CD2 LEU A 72 6.715 13.230 -4.786 1.00 0.00 C ATOM 0 H LEU A 72 4.678 14.099 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 72 5.909 15.723 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.460 15.825 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.498 16.339 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 72 8.455 14.309 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.257 12.782 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.404 14.475 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.822 13.663 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.232 12.270 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.702 13.098 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.672 13.615 -5.805 1.00 0.00 H new ATOM 1163 N ASP A 73 4.939 17.840 -2.408 1.00 0.00 N ATOM 1164 CA ASP A 73 4.245 19.117 -2.540 1.00 0.00 C ATOM 1165 C ASP A 73 4.661 19.850 -3.832 1.00 0.00 C ATOM 1166 O ASP A 73 3.880 20.564 -4.449 1.00 0.00 O ATOM 1167 CB ASP A 73 4.537 20.002 -1.315 1.00 0.00 C ATOM 1168 CG ASP A 73 6.043 20.151 -1.017 1.00 0.00 C ATOM 1169 OD1 ASP A 73 6.609 19.261 -0.381 1.00 0.00 O ATOM 1170 OD2 ASP A 73 6.628 21.155 -1.425 1.00 0.00 O ATOM 0 H ASP A 73 5.597 17.790 -1.630 1.00 0.00 H new ATOM 0 HA ASP A 73 3.175 18.917 -2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.106 20.990 -1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.041 19.578 -0.442 1.00 0.00 H new ATOM 1175 N ASN A 74 5.937 19.593 -4.187 1.00 0.00 N ATOM 1176 CA ASN A 74 6.559 20.188 -5.361 1.00 0.00 C ATOM 1177 C ASN A 74 6.827 19.173 -6.494 1.00 0.00 C ATOM 1178 O ASN A 74 7.455 19.510 -7.490 1.00 0.00 O ATOM 1179 CB ASN A 74 7.884 20.824 -4.905 1.00 0.00 C ATOM 1180 CG ASN A 74 8.851 19.793 -4.291 1.00 0.00 C ATOM 1181 OD1 ASN A 74 8.907 19.597 -3.086 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.606 19.149 -5.194 1.00 0.00 N ATOM 0 H ASN A 74 6.552 18.970 -3.664 1.00 0.00 H new ATOM 0 HA ASN A 74 5.873 20.925 -5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.364 21.306 -5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.676 21.604 -4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.279 18.446 -4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.507 19.363 -6.187 1.00 0.00 H new ATOM 1189 N GLY A 75 6.343 17.929 -6.298 1.00 0.00 N ATOM 1190 CA GLY A 75 6.619 16.923 -7.327 1.00 0.00 C ATOM 1191 C GLY A 75 5.678 15.713 -7.372 1.00 0.00 C ATOM 1192 O GLY A 75 6.104 14.622 -7.713 1.00 0.00 O ATOM 0 H GLY A 75 5.798 17.617 -5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.590 17.414 -8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.636 16.559 -7.184 1.00 0.00 H new ATOM 1196 N GLY A 76 4.405 15.945 -6.999 1.00 0.00 N ATOM 1197 CA GLY A 76 3.361 14.929 -7.054 1.00 0.00 C ATOM 1198 C GLY A 76 3.624 13.631 -6.318 1.00 0.00 C ATOM 1199 O GLY A 76 3.203 13.479 -5.185 1.00 0.00 O ATOM 0 H GLY A 76 4.081 16.848 -6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.444 15.364 -6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.174 14.692 -8.101 1.00 0.00 H new ATOM 1203 N TYR A 77 4.288 12.695 -7.050 1.00 0.00 N ATOM 1204 CA TYR A 77 4.644 11.393 -6.487 1.00 0.00 C ATOM 1205 C TYR A 77 5.926 10.927 -7.164 1.00 0.00 C ATOM 1206 O TYR A 77 6.233 11.284 -8.293 1.00 0.00 O ATOM 1207 CB TYR A 77 3.606 10.264 -6.659 1.00 0.00 C ATOM 1208 CG TYR A 77 2.305 10.543 -5.967 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.411 11.429 -6.529 1.00 0.00 C ATOM 1210 CD2 TYR A 77 1.968 9.910 -4.783 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.184 11.705 -5.947 1.00 0.00 C ATOM 1212 CE2 TYR A 77 0.743 10.157 -4.186 1.00 0.00 C ATOM 1213 CZ TYR A 77 -0.161 11.065 -4.750 1.00 0.00 C ATOM 1214 OH TYR A 77 -1.386 11.296 -4.139 1.00 0.00 O ATOM 0 H TYR A 77 4.578 12.829 -8.019 1.00 0.00 H new ATOM 0 HA TYR A 77 4.729 11.561 -5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.419 10.111 -7.722 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.023 9.334 -6.272 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.675 11.924 -7.452 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.662 9.222 -4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.497 12.404 -6.410 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.482 9.642 -3.273 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.448 10.763 -3.319 1.00 0.00 H new ATOM 1224 N TYR A 78 6.640 10.091 -6.385 1.00 0.00 N ATOM 1225 CA TYR A 78 7.880 9.527 -6.898 1.00 0.00 C ATOM 1226 C TYR A 78 8.130 8.137 -6.279 1.00 0.00 C ATOM 1227 O TYR A 78 8.077 7.970 -5.065 1.00 0.00 O ATOM 1228 CB TYR A 78 9.073 10.500 -6.689 1.00 0.00 C ATOM 1229 CG TYR A 78 9.843 10.367 -5.392 1.00 0.00 C ATOM 1230 CD1 TYR A 78 10.739 9.315 -5.250 1.00 0.00 C ATOM 1231 CD2 TYR A 78 9.708 11.267 -4.335 1.00 0.00 C ATOM 1232 CE1 TYR A 78 11.466 9.117 -4.091 1.00 0.00 C ATOM 1233 CE2 TYR A 78 10.444 11.091 -3.168 1.00 0.00 C ATOM 1234 CZ TYR A 78 11.316 10.008 -3.023 1.00 0.00 C ATOM 1235 OH TYR A 78 12.022 9.838 -1.837 1.00 0.00 O ATOM 0 H TYR A 78 6.385 9.807 -5.439 1.00 0.00 H new ATOM 0 HA TYR A 78 7.785 9.391 -7.975 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.772 10.363 -7.514 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.695 11.520 -6.757 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.872 8.628 -6.073 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.030 12.103 -4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.145 8.281 -4.011 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.340 11.802 -2.362 1.00 0.00 H new ATOM 0 HH TYR A 78 11.788 10.555 -1.212 1.00 0.00 H new ATOM 1245 N ILE A 79 8.371 7.156 -7.184 1.00 0.00 N ATOM 1246 CA ILE A 79 8.732 5.791 -6.752 1.00 0.00 C ATOM 1247 C ILE A 79 10.258 5.765 -6.665 1.00 0.00 C ATOM 1248 O ILE A 79 10.828 5.721 -5.581 1.00 0.00 O ATOM 1249 CB ILE A 79 8.045 4.602 -7.466 1.00 0.00 C ATOM 1250 CG1 ILE A 79 7.653 4.909 -8.910 1.00 0.00 C ATOM 1251 CG2 ILE A 79 6.913 3.900 -6.695 1.00 0.00 C ATOM 1252 CD1 ILE A 79 6.856 3.746 -9.502 1.00 0.00 C ATOM 0 H ILE A 79 8.323 7.284 -8.195 1.00 0.00 H new ATOM 0 HA ILE A 79 8.296 5.595 -5.772 1.00 0.00 H new ATOM 0 HB ILE A 79 8.841 3.857 -7.491 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.059 5.822 -8.946 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.548 5.087 -9.507 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.512 3.086 -7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.304 3.500 -5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.120 4.617 -6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.583 3.979 -10.531 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.464 2.841 -9.483 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.952 3.588 -8.914 1.00 0.00 H new ATOM 1264 N SER A 80 10.884 5.828 -7.860 1.00 0.00 N ATOM 1265 CA SER A 80 12.340 5.920 -7.883 1.00 0.00 C ATOM 1266 C SER A 80 12.573 7.447 -7.842 1.00 0.00 C ATOM 1267 O SER A 80 11.864 8.175 -8.519 1.00 0.00 O ATOM 1268 CB SER A 80 12.925 5.265 -9.172 1.00 0.00 C ATOM 1269 OG SER A 80 12.281 4.074 -9.780 1.00 0.00 O ATOM 0 H SER A 80 10.425 5.817 -8.771 1.00 0.00 H new ATOM 0 HA SER A 80 12.832 5.393 -7.065 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.955 6.039 -9.939 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.958 4.993 -8.953 1.00 0.00 H new ATOM 0 HG SER A 80 12.781 3.803 -10.578 1.00 0.00 H new ATOM 1275 N PRO A 81 13.556 7.951 -7.043 1.00 0.00 N ATOM 1276 CA PRO A 81 13.768 9.401 -6.943 1.00 0.00 C ATOM 1277 C PRO A 81 14.178 10.113 -8.240 1.00 0.00 C ATOM 1278 O PRO A 81 14.100 11.329 -8.356 1.00 0.00 O ATOM 1279 CB PRO A 81 14.836 9.552 -5.853 1.00 0.00 C ATOM 1280 CG PRO A 81 14.960 8.187 -5.179 1.00 0.00 C ATOM 1281 CD PRO A 81 14.458 7.177 -6.197 1.00 0.00 C ATOM 0 HA PRO A 81 12.823 9.891 -6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.789 9.861 -6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.549 10.317 -5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.993 7.981 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.369 8.147 -4.264 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.278 6.749 -6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.941 6.347 -5.715 1.00 0.00 H new ATOM 1289 N ARG A 82 14.584 9.275 -9.209 1.00 0.00 N ATOM 1290 CA ARG A 82 14.994 9.767 -10.518 1.00 0.00 C ATOM 1291 C ARG A 82 13.763 10.034 -11.404 1.00 0.00 C ATOM 1292 O ARG A 82 13.832 10.780 -12.373 1.00 0.00 O ATOM 1293 CB ARG A 82 16.001 8.829 -11.206 1.00 0.00 C ATOM 1294 CG ARG A 82 15.653 7.334 -11.171 1.00 0.00 C ATOM 1295 CD ARG A 82 16.202 6.626 -9.928 1.00 0.00 C ATOM 1296 NE ARG A 82 17.664 6.626 -9.917 1.00 0.00 N ATOM 1297 CZ ARG A 82 18.422 7.411 -9.118 1.00 0.00 C ATOM 1298 NH1 ARG A 82 17.885 8.275 -8.263 1.00 0.00 N ATOM 1299 NH2 ARG A 82 19.741 7.323 -9.193 1.00 0.00 N ATOM 0 H ARG A 82 14.634 8.262 -9.104 1.00 0.00 H new ATOM 0 HA ARG A 82 15.515 10.712 -10.366 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.101 9.135 -12.247 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.976 8.967 -10.738 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.570 7.217 -11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.051 6.852 -12.064 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.830 7.121 -9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.836 5.600 -9.901 1.00 0.00 H new ATOM 0 HE ARG A 82 18.145 5.991 -10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.871 8.361 -8.195 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.487 8.852 -7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.172 6.670 -9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.326 7.909 -8.597 1.00 0.00 H new ATOM 1313 N ILE A 83 12.644 9.382 -11.006 1.00 0.00 N ATOM 1314 CA ILE A 83 11.367 9.501 -11.693 1.00 0.00 C ATOM 1315 C ILE A 83 10.263 10.009 -10.735 1.00 0.00 C ATOM 1316 O ILE A 83 9.810 9.348 -9.804 1.00 0.00 O ATOM 1317 CB ILE A 83 11.032 8.244 -12.473 1.00 0.00 C ATOM 1318 CG1 ILE A 83 10.621 7.078 -11.576 1.00 0.00 C ATOM 1319 CG2 ILE A 83 12.170 7.874 -13.439 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.355 5.876 -12.454 1.00 0.00 C ATOM 0 H ILE A 83 12.618 8.762 -10.197 1.00 0.00 H new ATOM 0 HA ILE A 83 11.442 10.273 -12.458 1.00 0.00 H new ATOM 0 HB ILE A 83 10.151 8.467 -13.076 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.409 6.856 -10.857 1.00 0.00 H new ATOM 0 HG13 ILE A 83 9.730 7.335 -11.003 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.904 6.969 -13.985 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.329 8.690 -14.144 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.085 7.700 -12.873 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.060 5.030 -11.833 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.554 6.108 -13.156 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.259 5.622 -13.007 1.00 0.00 H new ATOM 1332 N THR A 84 9.878 11.246 -11.097 1.00 0.00 N ATOM 1333 CA THR A 84 8.870 12.044 -10.407 1.00 0.00 C ATOM 1334 C THR A 84 7.768 12.377 -11.430 1.00 0.00 C ATOM 1335 O THR A 84 8.011 12.477 -12.627 1.00 0.00 O ATOM 1336 CB THR A 84 9.565 13.333 -9.893 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.990 13.314 -9.541 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.740 13.935 -8.746 1.00 0.00 C ATOM 0 H THR A 84 10.277 11.725 -11.904 1.00 0.00 H new ATOM 0 HA THR A 84 8.426 11.519 -9.561 1.00 0.00 H new ATOM 0 HB THR A 84 9.585 13.951 -10.791 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.264 14.205 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.227 14.840 -8.384 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.741 14.180 -9.106 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.666 13.213 -7.933 1.00 0.00 H new ATOM 1346 N PHE A 85 6.554 12.529 -10.861 1.00 0.00 N ATOM 1347 CA PHE A 85 5.331 12.746 -11.653 1.00 0.00 C ATOM 1348 C PHE A 85 4.458 13.764 -10.903 1.00 0.00 C ATOM 1349 O PHE A 85 4.577 13.867 -9.697 1.00 0.00 O ATOM 1350 CB PHE A 85 4.621 11.368 -11.819 1.00 0.00 C ATOM 1351 CG PHE A 85 5.511 10.404 -12.568 1.00 0.00 C ATOM 1352 CD1 PHE A 85 6.547 9.764 -11.899 1.00 0.00 C ATOM 1353 CD2 PHE A 85 5.392 10.218 -13.943 1.00 0.00 C ATOM 1354 CE1 PHE A 85 7.521 9.073 -12.594 1.00 0.00 C ATOM 1355 CE2 PHE A 85 6.336 9.467 -14.638 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.417 8.907 -13.966 1.00 0.00 C ATOM 0 H PHE A 85 6.397 12.505 -9.853 1.00 0.00 H new ATOM 0 HA PHE A 85 5.540 13.144 -12.646 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.374 10.959 -10.839 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.682 11.498 -12.356 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.592 9.807 -10.821 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.562 10.659 -14.474 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.368 8.660 -12.065 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.228 9.319 -15.702 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.167 8.349 -14.507 1.00 0.00 H new ATOM 1366 N PRO A 86 3.576 14.522 -11.622 1.00 0.00 N ATOM 1367 CA PRO A 86 2.715 15.534 -10.981 1.00 0.00 C ATOM 1368 C PRO A 86 1.602 14.938 -10.096 1.00 0.00 C ATOM 1369 O PRO A 86 1.023 15.619 -9.259 1.00 0.00 O ATOM 1370 CB PRO A 86 2.079 16.274 -12.172 1.00 0.00 C ATOM 1371 CG PRO A 86 2.166 15.289 -13.343 1.00 0.00 C ATOM 1372 CD PRO A 86 3.420 14.461 -13.073 1.00 0.00 C ATOM 0 HA PRO A 86 3.300 16.162 -10.309 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.045 16.546 -11.961 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.613 17.198 -12.393 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.279 14.657 -13.393 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.238 15.814 -14.296 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.303 13.434 -13.419 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.289 14.873 -13.586 1.00 0.00 H new ATOM 1380 N THR A 87 1.365 13.633 -10.314 1.00 0.00 N ATOM 1381 CA THR A 87 0.377 12.876 -9.555 1.00 0.00 C ATOM 1382 C THR A 87 0.657 11.413 -9.865 1.00 0.00 C ATOM 1383 O THR A 87 1.507 11.091 -10.688 1.00 0.00 O ATOM 1384 CB THR A 87 -1.106 13.139 -9.944 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.162 12.413 -9.233 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.268 13.144 -11.473 1.00 0.00 C ATOM 0 H THR A 87 1.855 13.083 -11.020 1.00 0.00 H new ATOM 0 HA THR A 87 0.475 13.169 -8.510 1.00 0.00 H new ATOM 0 HB THR A 87 -1.298 14.138 -9.552 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.037 12.682 -9.583 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.311 13.329 -11.728 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.645 13.928 -11.902 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.963 12.178 -11.874 1.00 0.00 H new ATOM 1394 N LEU A 88 -0.119 10.542 -9.187 1.00 0.00 N ATOM 1395 CA LEU A 88 0.072 9.143 -9.480 1.00 0.00 C ATOM 1396 C LEU A 88 -0.480 8.829 -10.872 1.00 0.00 C ATOM 1397 O LEU A 88 0.109 7.999 -11.528 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.659 8.169 -8.545 1.00 0.00 C ATOM 1399 CG LEU A 88 -0.184 8.098 -7.102 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -1.105 7.135 -6.376 1.00 0.00 C ATOM 1401 CD2 LEU A 88 1.233 7.542 -6.990 1.00 0.00 C ATOM 0 H LEU A 88 -0.826 10.774 -8.489 1.00 0.00 H new ATOM 0 HA LEU A 88 1.147 8.998 -9.372 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.716 8.436 -8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.585 7.170 -8.974 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.194 9.104 -6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.798 7.054 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.129 7.504 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.050 6.154 -6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.529 7.510 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.263 6.535 -7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.920 8.183 -7.542 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.568 9.492 -11.359 1.00 0.00 N ATOM 1414 CA GLN A 89 -2.037 8.966 -12.672 1.00 0.00 C ATOM 1415 C GLN A 89 -1.011 9.036 -13.826 1.00 0.00 C ATOM 1416 O GLN A 89 -1.052 8.208 -14.724 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.503 9.235 -13.082 1.00 0.00 C ATOM 1418 CG GLN A 89 -4.209 10.503 -12.582 1.00 0.00 C ATOM 1419 CD GLN A 89 -4.025 11.746 -13.467 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -4.961 12.488 -13.733 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -2.773 11.925 -13.909 1.00 0.00 N ATOM 0 H GLN A 89 -2.072 10.274 -10.940 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.093 7.905 -12.430 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.540 9.249 -14.171 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.095 8.381 -12.754 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.275 10.295 -12.493 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.844 10.732 -11.581 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.040 11.265 -13.647 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.552 12.721 -14.507 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.081 10.003 -13.744 1.00 0.00 N ATOM 1431 CA ALA A 90 0.958 10.115 -14.776 1.00 0.00 C ATOM 1432 C ALA A 90 2.055 9.022 -14.599 1.00 0.00 C ATOM 1433 O ALA A 90 2.814 8.705 -15.505 1.00 0.00 O ATOM 1434 CB ALA A 90 1.568 11.517 -14.709 1.00 0.00 C ATOM 0 H ALA A 90 -0.028 10.697 -12.998 1.00 0.00 H new ATOM 0 HA ALA A 90 0.508 9.957 -15.756 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.342 11.614 -15.471 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.791 12.261 -14.885 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.007 11.676 -13.724 1.00 0.00 H new ATOM 1440 N LEU A 91 2.077 8.473 -13.374 1.00 0.00 N ATOM 1441 CA LEU A 91 2.973 7.396 -12.966 1.00 0.00 C ATOM 1442 C LEU A 91 2.447 6.063 -13.537 1.00 0.00 C ATOM 1443 O LEU A 91 3.176 5.272 -14.118 1.00 0.00 O ATOM 1444 CB LEU A 91 3.130 7.508 -11.423 1.00 0.00 C ATOM 1445 CG LEU A 91 3.380 6.250 -10.563 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.090 6.606 -9.253 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.096 5.506 -10.215 1.00 0.00 C ATOM 0 H LEU A 91 1.454 8.778 -12.626 1.00 0.00 H new ATOM 0 HA LEU A 91 3.983 7.460 -13.371 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.955 8.195 -11.233 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.226 7.982 -11.042 1.00 0.00 H new ATOM 0 HG LEU A 91 4.008 5.601 -11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.252 5.700 -8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.050 7.072 -9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.473 7.300 -8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.335 4.631 -9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.434 6.166 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.600 5.188 -11.132 1.00 0.00 H new ATOM 1459 N VAL A 92 1.120 5.921 -13.393 1.00 0.00 N ATOM 1460 CA VAL A 92 0.359 4.753 -13.804 1.00 0.00 C ATOM 1461 C VAL A 92 0.120 4.753 -15.351 1.00 0.00 C ATOM 1462 O VAL A 92 -0.173 3.714 -15.923 1.00 0.00 O ATOM 1463 CB VAL A 92 -0.977 4.765 -12.997 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.542 3.391 -12.716 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.956 5.396 -11.598 1.00 0.00 C ATOM 0 H VAL A 92 0.538 6.645 -12.973 1.00 0.00 H new ATOM 0 HA VAL A 92 0.907 3.835 -13.591 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.567 5.367 -13.688 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.470 3.487 -12.152 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.742 2.880 -13.658 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.823 2.814 -12.135 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.950 5.334 -11.156 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.245 4.861 -10.968 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.658 6.442 -11.675 1.00 0.00 H new ATOM 1475 N GLN A 93 0.292 5.951 -15.989 1.00 0.00 N ATOM 1476 CA GLN A 93 0.076 6.148 -17.434 1.00 0.00 C ATOM 1477 C GLN A 93 1.330 5.702 -18.194 1.00 0.00 C ATOM 1478 O GLN A 93 1.274 4.972 -19.177 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.326 7.597 -17.828 1.00 0.00 C ATOM 1480 CG GLN A 93 0.805 8.590 -18.174 1.00 0.00 C ATOM 1481 CD GLN A 93 0.304 10.024 -18.414 1.00 0.00 C ATOM 1482 OE1 GLN A 93 0.912 10.990 -17.977 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -0.826 10.111 -19.135 1.00 0.00 N ATOM 0 H GLN A 93 0.585 6.799 -15.504 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.779 5.533 -17.714 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.994 7.537 -18.688 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.903 8.020 -17.005 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.533 8.598 -17.363 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.326 8.241 -19.066 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.284 9.263 -19.470 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.226 11.025 -19.348 1.00 0.00 H new ATOM 1492 N HIS A 94 2.470 6.187 -17.644 1.00 0.00 N ATOM 1493 CA HIS A 94 3.782 5.885 -18.196 1.00 0.00 C ATOM 1494 C HIS A 94 3.992 4.366 -18.189 1.00 0.00 C ATOM 1495 O HIS A 94 4.474 3.780 -19.149 1.00 0.00 O ATOM 1496 CB HIS A 94 4.852 6.611 -17.359 1.00 0.00 C ATOM 1497 CG HIS A 94 6.257 6.339 -17.867 1.00 0.00 C ATOM 1498 ND1 HIS A 94 7.350 6.403 -17.076 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.677 5.989 -19.163 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.397 6.100 -17.864 1.00 0.00 C ATOM 1501 NE2 HIS A 94 8.021 5.843 -19.130 1.00 0.00 N ATOM 0 H HIS A 94 2.491 6.787 -16.819 1.00 0.00 H new ATOM 0 HA HIS A 94 3.860 6.231 -19.227 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.661 7.684 -17.379 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.775 6.293 -16.319 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.042 5.860 -20.027 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.420 6.067 -17.521 1.00 0.00 H new ATOM 0 HE2 HIS A 94 8.628 5.589 -19.909 1.00 0.00 H new ATOM 1509 N TYR A 95 3.551 3.777 -17.054 1.00 0.00 N ATOM 1510 CA TYR A 95 3.696 2.336 -16.909 1.00 0.00 C ATOM 1511 C TYR A 95 2.621 1.570 -17.689 1.00 0.00 C ATOM 1512 O TYR A 95 2.835 0.415 -18.026 1.00 0.00 O ATOM 1513 CB TYR A 95 3.797 1.913 -15.447 1.00 0.00 C ATOM 1514 CG TYR A 95 4.749 2.742 -14.628 1.00 0.00 C ATOM 1515 CD1 TYR A 95 5.829 3.419 -15.186 1.00 0.00 C ATOM 1516 CD2 TYR A 95 4.521 2.868 -13.270 1.00 0.00 C ATOM 1517 CE1 TYR A 95 6.628 4.258 -14.427 1.00 0.00 C ATOM 1518 CE2 TYR A 95 5.300 3.707 -12.500 1.00 0.00 C ATOM 1519 CZ TYR A 95 6.342 4.442 -13.072 1.00 0.00 C ATOM 1520 OH TYR A 95 7.056 5.350 -12.303 1.00 0.00 O ATOM 0 H TYR A 95 3.115 4.260 -16.269 1.00 0.00 H new ATOM 0 HA TYR A 95 4.648 2.060 -17.363 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.806 1.967 -14.996 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.111 0.870 -15.403 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.049 3.287 -16.235 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.725 2.304 -12.807 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.466 4.767 -14.880 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.102 3.797 -11.442 1.00 0.00 H new ATOM 0 HH TYR A 95 7.839 4.906 -11.916 1.00 0.00 H new ATOM 1530 N SER A 96 1.476 2.240 -17.997 1.00 0.00 N ATOM 1531 CA SER A 96 0.453 1.544 -18.810 1.00 0.00 C ATOM 1532 C SER A 96 1.021 1.145 -20.199 1.00 0.00 C ATOM 1533 O SER A 96 0.447 0.320 -20.899 1.00 0.00 O ATOM 1534 CB SER A 96 -0.854 2.392 -18.952 1.00 0.00 C ATOM 1535 OG SER A 96 -1.730 2.705 -17.792 1.00 0.00 O ATOM 0 H SER A 96 1.251 3.194 -17.716 1.00 0.00 H new ATOM 0 HA SER A 96 0.185 0.629 -18.282 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.561 3.347 -19.389 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.478 1.883 -19.687 1.00 0.00 H new ATOM 0 HG SER A 96 -1.178 2.854 -16.996 1.00 0.00 H new ATOM 1541 N LYS A 97 2.174 1.769 -20.532 1.00 0.00 N ATOM 1542 CA LYS A 97 2.903 1.488 -21.764 1.00 0.00 C ATOM 1543 C LYS A 97 4.185 0.646 -21.488 1.00 0.00 C ATOM 1544 O LYS A 97 4.406 -0.392 -22.102 1.00 0.00 O ATOM 1545 CB LYS A 97 3.265 2.826 -22.438 1.00 0.00 C ATOM 1546 CG LYS A 97 2.136 3.416 -23.303 1.00 0.00 C ATOM 1547 CD LYS A 97 0.845 3.753 -22.540 1.00 0.00 C ATOM 1548 CE LYS A 97 -0.160 4.537 -23.392 1.00 0.00 C ATOM 1549 NZ LYS A 97 -0.608 3.785 -24.560 1.00 0.00 N ATOM 0 H LYS A 97 2.615 2.479 -19.947 1.00 0.00 H new ATOM 0 HA LYS A 97 2.270 0.898 -22.427 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.534 3.548 -21.667 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.148 2.681 -23.061 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.503 4.322 -23.785 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.898 2.707 -24.096 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.380 2.829 -22.196 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.094 4.335 -21.652 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.023 4.800 -22.780 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.296 5.472 -23.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.298 4.351 -25.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.208 3.570 -25.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.053 2.897 -24.251 1.00 0.00 H new ATOM 1563 N LYS A 98 5.000 1.144 -20.531 1.00 0.00 N ATOM 1564 CA LYS A 98 6.278 0.555 -20.162 1.00 0.00 C ATOM 1565 C LYS A 98 6.650 1.029 -18.734 1.00 0.00 C ATOM 1566 O LYS A 98 6.769 2.220 -18.475 1.00 0.00 O ATOM 1567 CB LYS A 98 7.251 1.068 -21.234 1.00 0.00 C ATOM 1568 CG LYS A 98 8.529 0.262 -21.262 1.00 0.00 C ATOM 1569 CD LYS A 98 9.691 0.964 -20.569 1.00 0.00 C ATOM 1570 CE LYS A 98 10.718 -0.065 -20.129 1.00 0.00 C ATOM 1571 NZ LYS A 98 12.001 0.551 -19.806 1.00 0.00 N ATOM 0 H LYS A 98 4.772 1.980 -19.993 1.00 0.00 H new ATOM 0 HA LYS A 98 6.283 -0.535 -20.130 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.771 1.023 -22.212 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.485 2.115 -21.041 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.355 -0.701 -20.782 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.801 0.058 -22.298 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.150 1.684 -21.246 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.329 1.523 -19.706 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.343 -0.602 -19.258 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.858 -0.801 -20.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.451 0.029 -19.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.619 0.525 -20.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.849 1.539 -19.518 1.00 0.00 H new ATOM 1585 N GLY A 99 6.843 0.027 -17.841 1.00 0.00 N ATOM 1586 CA GLY A 99 7.153 0.233 -16.421 1.00 0.00 C ATOM 1587 C GLY A 99 8.335 1.152 -16.119 1.00 0.00 C ATOM 1588 O GLY A 99 8.302 1.941 -15.190 1.00 0.00 O ATOM 0 H GLY A 99 6.785 -0.958 -18.100 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.268 0.640 -15.932 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.349 -0.739 -15.968 1.00 0.00 H new ATOM 1592 N ASP A 100 9.393 0.971 -16.927 1.00 0.00 N ATOM 1593 CA ASP A 100 10.593 1.800 -16.823 1.00 0.00 C ATOM 1594 C ASP A 100 11.199 1.838 -15.401 1.00 0.00 C ATOM 1595 O ASP A 100 11.157 2.834 -14.688 1.00 0.00 O ATOM 1596 CB ASP A 100 10.283 3.214 -17.354 1.00 0.00 C ATOM 1597 CG ASP A 100 11.541 3.857 -17.959 1.00 0.00 C ATOM 1598 OD1 ASP A 100 12.016 3.348 -18.975 1.00 0.00 O ATOM 1599 OD2 ASP A 100 12.032 4.843 -17.413 1.00 0.00 O ATOM 0 H ASP A 100 9.436 0.259 -17.656 1.00 0.00 H new ATOM 0 HA ASP A 100 11.365 1.341 -17.441 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.498 3.160 -18.108 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.904 3.837 -16.544 1.00 0.00 H new ATOM 1604 N GLY A 101 11.770 0.669 -15.071 1.00 0.00 N ATOM 1605 CA GLY A 101 12.423 0.477 -13.773 1.00 0.00 C ATOM 1606 C GLY A 101 11.595 -0.373 -12.806 1.00 0.00 C ATOM 1607 O GLY A 101 12.095 -0.887 -11.813 1.00 0.00 O ATOM 0 H GLY A 101 11.791 -0.149 -15.681 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.392 0.002 -13.927 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.613 1.450 -13.321 1.00 0.00 H new ATOM 1611 N LEU A 102 10.303 -0.506 -13.171 1.00 0.00 N ATOM 1612 CA LEU A 102 9.337 -1.281 -12.403 1.00 0.00 C ATOM 1613 C LEU A 102 9.439 -2.797 -12.728 1.00 0.00 C ATOM 1614 O LEU A 102 8.681 -3.599 -12.198 1.00 0.00 O ATOM 1615 CB LEU A 102 7.949 -0.710 -12.758 1.00 0.00 C ATOM 1616 CG LEU A 102 7.519 0.537 -11.961 1.00 0.00 C ATOM 1617 CD1 LEU A 102 6.673 0.153 -10.747 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.672 1.482 -11.564 1.00 0.00 C ATOM 0 H LEU A 102 9.911 -0.075 -14.008 1.00 0.00 H new ATOM 0 HA LEU A 102 9.527 -1.199 -11.333 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.938 -0.462 -13.819 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.204 -1.491 -12.605 1.00 0.00 H new ATOM 0 HG LEU A 102 6.907 1.116 -12.652 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.385 1.054 -10.205 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.778 -0.373 -11.079 1.00 0.00 H new ATOM 0 HD13 LEU A 102 7.252 -0.496 -10.090 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.272 2.330 -11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.386 0.943 -10.941 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.173 1.842 -12.463 1.00 0.00 H new ATOM 1630 N CYS A 103 10.386 -3.122 -13.648 1.00 0.00 N ATOM 1631 CA CYS A 103 10.705 -4.470 -14.137 1.00 0.00 C ATOM 1632 C CYS A 103 9.605 -5.104 -15.022 1.00 0.00 C ATOM 1633 O CYS A 103 9.832 -6.103 -15.692 1.00 0.00 O ATOM 1634 CB CYS A 103 11.180 -5.417 -13.018 1.00 0.00 C ATOM 1635 SG CYS A 103 9.893 -6.181 -12.003 1.00 0.00 S ATOM 0 H CYS A 103 10.970 -2.408 -14.084 1.00 0.00 H new ATOM 0 HA CYS A 103 11.554 -4.324 -14.805 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.772 -6.212 -13.473 1.00 0.00 H new ATOM 0 HB3 CYS A 103 11.847 -4.860 -12.360 1.00 0.00 H new ATOM 0 HG CYS A 103 10.035 -7.473 -12.022 1.00 0.00 H new ATOM 1641 N GLN A 104 8.420 -4.463 -14.993 1.00 0.00 N ATOM 1642 CA GLN A 104 7.247 -4.866 -15.733 1.00 0.00 C ATOM 1643 C GLN A 104 6.740 -3.578 -16.371 1.00 0.00 C ATOM 1644 O GLN A 104 7.497 -2.817 -16.959 1.00 0.00 O ATOM 1645 CB GLN A 104 6.283 -5.585 -14.749 1.00 0.00 C ATOM 1646 CG GLN A 104 6.890 -6.820 -14.050 1.00 0.00 C ATOM 1647 CD GLN A 104 7.257 -7.926 -15.049 1.00 0.00 C ATOM 1648 OE1 GLN A 104 6.691 -8.026 -16.130 1.00 0.00 O ATOM 1649 NE2 GLN A 104 8.237 -8.737 -14.618 1.00 0.00 N ATOM 0 H GLN A 104 8.266 -3.626 -14.431 1.00 0.00 H new ATOM 0 HA GLN A 104 7.402 -5.592 -16.531 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.962 -4.873 -13.988 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.391 -5.893 -15.294 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.780 -6.522 -13.497 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.178 -7.211 -13.322 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.658 -8.586 -13.701 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.560 -9.504 -15.207 1.00 0.00 H new ATOM 1658 N LYS A 105 5.428 -3.416 -16.207 1.00 0.00 N ATOM 1659 CA LYS A 105 4.595 -2.319 -16.660 1.00 0.00 C ATOM 1660 C LYS A 105 3.168 -2.654 -16.260 1.00 0.00 C ATOM 1661 O LYS A 105 2.854 -3.819 -16.083 1.00 0.00 O ATOM 1662 CB LYS A 105 4.698 -2.191 -18.184 1.00 0.00 C ATOM 1663 CG LYS A 105 3.757 -3.060 -19.051 1.00 0.00 C ATOM 1664 CD LYS A 105 4.458 -4.339 -19.485 1.00 0.00 C ATOM 1665 CE LYS A 105 5.355 -4.045 -20.676 1.00 0.00 C ATOM 1666 NZ LYS A 105 6.280 -5.142 -20.940 1.00 0.00 N ATOM 0 H LYS A 105 4.878 -4.116 -15.708 1.00 0.00 H new ATOM 0 HA LYS A 105 4.910 -1.374 -16.217 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.522 -1.147 -18.444 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.724 -2.422 -18.470 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.857 -3.305 -18.487 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.439 -2.497 -19.929 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.049 -4.740 -18.661 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.722 -5.098 -19.749 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.741 -3.867 -21.559 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.919 -3.131 -20.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.875 -4.905 -21.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.883 -5.296 -20.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.742 -6.009 -21.142 1.00 0.00 H new ATOM 1680 N LEU A 106 2.338 -1.601 -16.168 1.00 0.00 N ATOM 1681 CA LEU A 106 0.928 -1.763 -15.828 1.00 0.00 C ATOM 1682 C LEU A 106 0.200 -2.427 -17.013 1.00 0.00 C ATOM 1683 O LEU A 106 0.615 -2.296 -18.157 1.00 0.00 O ATOM 1684 CB LEU A 106 0.279 -0.379 -15.640 1.00 0.00 C ATOM 1685 CG LEU A 106 0.604 0.424 -14.374 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -0.508 0.339 -13.332 1.00 0.00 C ATOM 1687 CD2 LEU A 106 1.862 -0.048 -13.696 1.00 0.00 C ATOM 0 H LEU A 106 2.625 -0.635 -16.325 1.00 0.00 H new ATOM 0 HA LEU A 106 0.853 -2.361 -14.920 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.553 0.234 -16.499 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.802 -0.514 -15.677 1.00 0.00 H new ATOM 0 HG LEU A 106 0.724 1.448 -14.727 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.230 0.924 -12.455 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.432 0.734 -13.753 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.656 -0.701 -13.042 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.044 0.555 -12.806 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.750 -1.094 -13.409 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.704 0.052 -14.381 1.00 0.00 H new ATOM 1699 N THR A 107 -0.898 -3.133 -16.683 1.00 0.00 N ATOM 1700 CA THR A 107 -1.661 -3.795 -17.738 1.00 0.00 C ATOM 1701 C THR A 107 -3.156 -3.660 -17.489 1.00 0.00 C ATOM 1702 O THR A 107 -3.864 -2.969 -18.213 1.00 0.00 O ATOM 1703 CB THR A 107 -1.285 -5.301 -17.880 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.595 -6.266 -16.808 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.212 -5.411 -18.265 1.00 0.00 C ATOM 0 H THR A 107 -1.258 -3.253 -15.736 1.00 0.00 H new ATOM 0 HA THR A 107 -1.404 -3.296 -18.672 1.00 0.00 H new ATOM 0 HB THR A 107 -1.982 -5.628 -18.651 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.848 -6.892 -16.706 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.485 -6.461 -18.367 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.383 -4.898 -19.212 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.822 -4.951 -17.488 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.579 -4.371 -16.422 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.996 -4.374 -16.082 1.00 0.00 C ATOM 1715 C LEU A 108 -5.156 -4.349 -14.557 1.00 0.00 C ATOM 1716 O LEU A 108 -4.570 -5.178 -13.883 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.652 -5.682 -16.555 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.396 -6.077 -18.016 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.594 -7.582 -18.207 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.290 -5.270 -18.962 1.00 0.00 C ATOM 0 H LEU A 108 -2.979 -4.925 -15.811 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.456 -3.506 -16.555 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.303 -6.492 -15.915 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.729 -5.599 -16.406 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.360 -5.842 -18.262 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.408 -7.844 -19.249 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.898 -8.125 -17.567 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.616 -7.851 -17.942 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.091 -5.567 -19.992 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.337 -5.461 -18.725 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.079 -4.207 -18.844 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.967 -3.406 -14.006 1.00 0.00 N ATOM 1733 CA PRO A 109 -6.200 -3.359 -12.565 1.00 0.00 C ATOM 1734 C PRO A 109 -6.888 -4.655 -12.111 1.00 0.00 C ATOM 1735 O PRO A 109 -7.794 -5.162 -12.760 1.00 0.00 O ATOM 1736 CB PRO A 109 -7.091 -2.139 -12.316 1.00 0.00 C ATOM 1737 CG PRO A 109 -7.104 -1.376 -13.640 1.00 0.00 C ATOM 1738 CD PRO A 109 -6.685 -2.372 -14.731 1.00 0.00 C ATOM 0 HA PRO A 109 -5.271 -3.275 -12.001 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.097 -2.439 -12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -6.697 -1.521 -11.509 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.096 -0.974 -13.844 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.418 -0.530 -13.605 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -7.551 -2.779 -15.254 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -6.053 -1.899 -15.482 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.364 -5.150 -10.980 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.836 -6.397 -10.375 1.00 0.00 C ATOM 1748 C CYS A 110 -8.377 -6.487 -10.220 1.00 0.00 C ATOM 1749 O CYS A 110 -9.103 -5.505 -10.308 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.154 -6.582 -9.017 1.00 0.00 C ATOM 1751 SG CYS A 110 -6.236 -8.276 -8.398 1.00 0.00 S ATOM 0 H CYS A 110 -5.608 -4.699 -10.465 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.567 -7.201 -11.060 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -5.109 -6.284 -9.100 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.619 -5.915 -8.291 1.00 0.00 H new ATOM 0 HG CYS A 110 -5.045 -8.796 -8.397 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.808 -7.737 -9.966 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.217 -8.066 -9.770 1.00 0.00 C ATOM 1759 C VAL A 111 -10.639 -7.587 -8.367 1.00 0.00 C ATOM 1760 O VAL A 111 -9.818 -7.481 -7.466 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.387 -9.594 -9.920 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -9.541 -10.387 -8.908 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -11.862 -10.022 -9.847 1.00 0.00 C ATOM 0 H VAL A 111 -8.184 -8.540 -9.893 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.849 -7.573 -10.509 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.015 -9.837 -10.915 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.699 -11.455 -9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.486 -10.153 -9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -9.837 -10.116 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.933 -11.104 -9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.279 -9.727 -8.884 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -12.421 -9.538 -10.648 1.00 0.00 H new