USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 803 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 103 CYS SG : rot -37:sc= 0.222 USER MOD Set 1.2: A 104 GLN : amide:sc= 0.151 K(o=0.37,f=-0.61) USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= -0.243 USER MOD Set 2.2: A 60 GLN : amide:sc= 0 K(o=-0.24,f=-0.87) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -49:sc= 0.72 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : A 32 MET CE :methyl -111:sc=-0.000838 (180deg=-0.2) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -86:sc= 0.732 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -11! C(o=-11!,f=-16!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 0.644 (180deg=0.479) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HE2:sc= -0.574 K(o=-0.57,f=-1.3) USER MOD Single : A 67 TYR OH : rot -131:sc= 0.11 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= -0.217 (180deg=-0.217) USER MOD Single : A 71 SER OG : rot 34:sc= -0.477 USER MOD Single : A 74 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 77 TYR OH : rot -34:sc= 0.00235 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= -0.0461 USER MOD Single : A 89 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.01) USER MOD Single : A 93 GLN : amide:sc= -0.744 K(o=-0.74,f=-0.021) USER MOD Single : A 94 HIS : no HD1:sc= -0.2 K(o=-0.2,f=-0.84) USER MOD Single : A 95 TYR OH : rot 165:sc= -0.668 USER MOD Single : A 96 SER OG : rot 37:sc= 0.397 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -171:sc=-0.00228 (180deg=-0.133) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 110 CYS SG : rot 180:sc= -1.6 USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 1.542 2.627 -15.922 1.00 0.00 N ATOM 172 CA LYS A 13 2.288 2.919 -14.724 1.00 0.00 C ATOM 173 C LYS A 13 1.458 2.748 -13.455 1.00 0.00 C ATOM 174 O LYS A 13 1.454 3.611 -12.589 1.00 0.00 O ATOM 175 CB LYS A 13 2.903 4.264 -14.818 1.00 0.00 C ATOM 176 CG LYS A 13 4.104 4.288 -15.697 1.00 0.00 C ATOM 177 CD LYS A 13 5.082 3.168 -15.526 1.00 0.00 C ATOM 178 CE LYS A 13 6.498 3.452 -16.021 1.00 0.00 C ATOM 179 NZ LYS A 13 6.855 2.693 -17.217 1.00 0.00 N ATOM 0 HA LYS A 13 3.089 2.184 -14.646 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.165 4.970 -15.199 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.182 4.602 -13.820 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.767 4.291 -16.734 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.630 5.228 -15.530 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.130 2.909 -14.468 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.701 2.292 -16.051 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.595 4.517 -16.233 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.207 3.219 -15.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.827 2.931 -17.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.793 1.675 -17.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.200 2.932 -17.988 1.00 0.00 H new ATOM 193 N TRP A 14 0.798 1.591 -13.362 1.00 0.00 N ATOM 194 CA TRP A 14 -0.003 1.265 -12.192 1.00 0.00 C ATOM 195 C TRP A 14 0.237 -0.252 -11.929 1.00 0.00 C ATOM 196 O TRP A 14 0.665 -0.602 -10.840 1.00 0.00 O ATOM 197 CB TRP A 14 -1.492 1.703 -12.306 1.00 0.00 C ATOM 198 CG TRP A 14 -2.488 0.732 -12.933 1.00 0.00 C ATOM 199 CD1 TRP A 14 -3.144 0.873 -14.139 1.00 0.00 C ATOM 200 CD2 TRP A 14 -2.983 -0.497 -12.376 1.00 0.00 C ATOM 201 NE1 TRP A 14 -3.983 -0.180 -14.349 1.00 0.00 N ATOM 202 CE2 TRP A 14 -3.924 -1.063 -13.270 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.686 -1.119 -11.206 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.536 -2.259 -12.933 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.287 -2.318 -10.888 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.206 -2.884 -11.750 1.00 0.00 C ATOM 0 H TRP A 14 0.806 0.870 -14.083 1.00 0.00 H new ATOM 0 HA TRP A 14 0.307 1.841 -11.320 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.846 1.940 -11.303 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.523 2.628 -12.882 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.011 1.701 -14.820 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.569 -0.305 -15.175 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.978 -0.673 -10.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.268 -2.699 -13.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.039 -2.816 -9.962 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.670 -3.825 -11.494 1.00 0.00 H new ATOM 217 N PHE A 15 0.012 -1.119 -12.960 1.00 0.00 N ATOM 218 CA PHE A 15 0.246 -2.560 -12.782 1.00 0.00 C ATOM 219 C PHE A 15 1.721 -2.901 -13.088 1.00 0.00 C ATOM 220 O PHE A 15 2.070 -3.291 -14.196 1.00 0.00 O ATOM 221 CB PHE A 15 -0.691 -3.398 -13.685 1.00 0.00 C ATOM 222 CG PHE A 15 -0.602 -4.893 -13.460 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.407 -5.431 -12.188 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.727 -5.761 -14.541 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.322 -6.805 -12.007 1.00 0.00 C ATOM 226 CE2 PHE A 15 -0.657 -7.134 -14.362 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.455 -7.654 -13.095 1.00 0.00 C ATOM 0 H PHE A 15 -0.319 -0.846 -13.885 1.00 0.00 H new ATOM 0 HA PHE A 15 0.027 -2.810 -11.744 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.719 -3.078 -13.517 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.457 -3.185 -14.728 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.321 -4.773 -11.336 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.880 -5.360 -15.532 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.153 -7.212 -11.021 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.760 -7.796 -15.209 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.401 -8.723 -12.954 1.00 0.00 H new ATOM 237 N PHE A 16 2.551 -2.737 -12.038 1.00 0.00 N ATOM 238 CA PHE A 16 3.995 -2.995 -12.122 1.00 0.00 C ATOM 239 C PHE A 16 4.326 -4.380 -11.528 1.00 0.00 C ATOM 240 O PHE A 16 3.563 -4.968 -10.778 1.00 0.00 O ATOM 241 CB PHE A 16 4.733 -1.830 -11.419 1.00 0.00 C ATOM 242 CG PHE A 16 5.547 -0.980 -12.368 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.064 -0.629 -13.630 1.00 0.00 C ATOM 244 CD2 PHE A 16 6.816 -0.548 -11.998 1.00 0.00 C ATOM 245 CE1 PHE A 16 5.846 0.103 -14.508 1.00 0.00 C ATOM 246 CE2 PHE A 16 7.595 0.193 -12.878 1.00 0.00 C ATOM 247 CZ PHE A 16 7.112 0.513 -14.133 1.00 0.00 C ATOM 0 H PHE A 16 2.239 -2.425 -11.118 1.00 0.00 H new ATOM 0 HA PHE A 16 4.332 -3.030 -13.158 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.003 -1.199 -10.912 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.391 -2.236 -10.651 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.070 -0.931 -13.925 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.199 -0.791 -11.018 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.466 0.354 -15.487 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.580 0.520 -12.581 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.722 1.082 -14.819 1.00 0.00 H new ATOM 257 N ARG A 17 5.539 -4.852 -11.882 1.00 0.00 N ATOM 258 CA ARG A 17 6.017 -6.156 -11.389 1.00 0.00 C ATOM 259 C ARG A 17 6.574 -6.027 -9.958 1.00 0.00 C ATOM 260 O ARG A 17 6.064 -5.245 -9.171 1.00 0.00 O ATOM 261 CB ARG A 17 7.074 -6.717 -12.384 1.00 0.00 C ATOM 262 CG ARG A 17 6.514 -7.562 -13.523 1.00 0.00 C ATOM 263 CD ARG A 17 5.507 -8.608 -13.020 1.00 0.00 C ATOM 264 NE ARG A 17 5.490 -9.791 -13.873 1.00 0.00 N ATOM 265 CZ ARG A 17 4.723 -10.857 -13.552 1.00 0.00 C ATOM 266 NH1 ARG A 17 3.939 -10.825 -12.483 1.00 0.00 N ATOM 267 NH2 ARG A 17 4.751 -11.950 -14.299 1.00 0.00 N ATOM 0 H ARG A 17 6.191 -4.361 -12.494 1.00 0.00 H new ATOM 0 HA ARG A 17 5.187 -6.861 -11.337 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.626 -5.880 -12.812 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.791 -7.319 -11.826 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.029 -6.913 -14.252 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.332 -8.065 -14.038 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.761 -8.898 -12.000 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.510 -8.168 -12.987 1.00 0.00 H new ATOM 0 HE ARG A 17 6.061 -9.814 -14.718 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.911 -9.992 -11.896 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.364 -11.634 -12.248 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.353 -11.991 -15.121 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.170 -12.751 -14.052 1.00 0.00 H new ATOM 281 N THR A 18 7.591 -6.842 -9.634 1.00 0.00 N ATOM 282 CA THR A 18 8.217 -6.814 -8.336 1.00 0.00 C ATOM 283 C THR A 18 9.407 -5.855 -8.399 1.00 0.00 C ATOM 284 O THR A 18 10.574 -6.233 -8.358 1.00 0.00 O ATOM 285 CB THR A 18 8.730 -8.209 -7.857 1.00 0.00 C ATOM 286 OG1 THR A 18 9.894 -8.243 -6.960 1.00 0.00 O ATOM 287 CG2 THR A 18 8.741 -9.288 -8.990 1.00 0.00 C ATOM 0 H THR A 18 7.989 -7.530 -10.273 1.00 0.00 H new ATOM 0 HA THR A 18 7.460 -6.492 -7.621 1.00 0.00 H new ATOM 0 HB THR A 18 7.949 -8.509 -7.158 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.610 -7.686 -7.332 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.108 -10.233 -8.589 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.729 -9.425 -9.372 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.393 -8.959 -9.799 1.00 0.00 H new ATOM 295 N ILE A 19 9.026 -4.573 -8.573 1.00 0.00 N ATOM 296 CA ILE A 19 10.055 -3.550 -8.542 1.00 0.00 C ATOM 297 C ILE A 19 10.472 -3.426 -7.087 1.00 0.00 C ATOM 298 O ILE A 19 9.744 -3.835 -6.188 1.00 0.00 O ATOM 299 CB ILE A 19 9.565 -2.189 -9.060 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.713 -1.374 -9.641 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.768 -1.347 -8.055 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.241 -0.012 -10.149 1.00 0.00 C ATOM 0 H ILE A 19 8.071 -4.248 -8.726 1.00 0.00 H new ATOM 0 HA ILE A 19 10.878 -3.837 -9.197 1.00 0.00 H new ATOM 0 HB ILE A 19 8.853 -2.444 -9.845 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.480 -1.232 -8.880 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.174 -1.927 -10.459 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.471 -0.408 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.879 -1.896 -7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.388 -1.138 -7.183 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.089 0.539 -10.556 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.493 -0.154 -10.929 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.804 0.552 -9.325 1.00 0.00 H new ATOM 314 N SER A 20 11.676 -2.863 -6.882 1.00 0.00 N ATOM 315 CA SER A 20 12.059 -2.709 -5.490 1.00 0.00 C ATOM 316 C SER A 20 11.084 -1.733 -4.818 1.00 0.00 C ATOM 317 O SER A 20 10.436 -0.902 -5.438 1.00 0.00 O ATOM 318 CB SER A 20 13.516 -2.170 -5.376 1.00 0.00 C ATOM 319 OG SER A 20 14.280 -2.169 -4.099 1.00 0.00 O ATOM 0 H SER A 20 12.335 -2.539 -7.590 1.00 0.00 H new ATOM 0 HA SER A 20 12.019 -3.679 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.112 -2.734 -6.093 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.492 -1.137 -5.724 1.00 0.00 H new ATOM 0 HG SER A 20 15.171 -1.790 -4.251 1.00 0.00 H new ATOM 325 N ARG A 21 11.095 -1.846 -3.494 1.00 0.00 N ATOM 326 CA ARG A 21 10.225 -1.010 -2.681 1.00 0.00 C ATOM 327 C ARG A 21 10.552 0.464 -2.907 1.00 0.00 C ATOM 328 O ARG A 21 9.721 1.266 -3.304 1.00 0.00 O ATOM 329 CB ARG A 21 10.386 -1.387 -1.207 1.00 0.00 C ATOM 330 CG ARG A 21 9.382 -0.627 -0.325 1.00 0.00 C ATOM 331 CD ARG A 21 8.712 -1.541 0.707 1.00 0.00 C ATOM 332 NE ARG A 21 9.665 -1.928 1.739 1.00 0.00 N ATOM 333 CZ ARG A 21 10.040 -1.070 2.710 1.00 0.00 C ATOM 334 NH1 ARG A 21 9.529 0.152 2.775 1.00 0.00 N ATOM 335 NH2 ARG A 21 10.933 -1.453 3.610 1.00 0.00 N ATOM 0 H ARG A 21 11.684 -2.494 -2.971 1.00 0.00 H new ATOM 0 HA ARG A 21 9.187 -1.173 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.241 -2.460 -1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.402 -1.164 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.895 0.185 0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.618 -0.172 -0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.864 -1.028 1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.320 -2.430 0.214 1.00 0.00 H new ATOM 0 HE ARG A 21 10.058 -2.869 1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.842 0.455 2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.823 0.789 3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.332 -2.391 3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.222 -0.810 4.347 1.00 0.00 H new ATOM 349 N LYS A 22 11.842 0.747 -2.642 1.00 0.00 N ATOM 350 CA LYS A 22 12.323 2.112 -2.838 1.00 0.00 C ATOM 351 C LYS A 22 12.225 2.595 -4.278 1.00 0.00 C ATOM 352 O LYS A 22 12.310 3.786 -4.530 1.00 0.00 O ATOM 353 CB LYS A 22 13.717 2.374 -2.289 1.00 0.00 C ATOM 354 CG LYS A 22 14.764 1.439 -2.832 1.00 0.00 C ATOM 355 CD LYS A 22 15.073 1.484 -4.307 1.00 0.00 C ATOM 356 CE LYS A 22 16.545 1.206 -4.630 1.00 0.00 C ATOM 357 NZ LYS A 22 17.302 2.450 -4.564 1.00 0.00 N ATOM 0 H LYS A 22 12.536 0.078 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 22 11.629 2.703 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.003 3.400 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.693 2.287 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.692 1.631 -2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.458 0.422 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.451 0.753 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.802 2.465 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.953 0.482 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.633 0.767 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.301 2.261 -4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.918 3.127 -5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.228 2.851 -3.607 1.00 0.00 H new ATOM 371 N ASP A 23 12.030 1.618 -5.197 1.00 0.00 N ATOM 372 CA ASP A 23 12.000 1.953 -6.596 1.00 0.00 C ATOM 373 C ASP A 23 10.659 2.584 -6.966 1.00 0.00 C ATOM 374 O ASP A 23 10.569 3.716 -7.401 1.00 0.00 O ATOM 375 CB ASP A 23 12.298 0.776 -7.558 1.00 0.00 C ATOM 376 CG ASP A 23 13.802 0.514 -7.765 1.00 0.00 C ATOM 377 OD1 ASP A 23 14.627 1.349 -7.390 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.132 -0.536 -8.313 1.00 0.00 O ATOM 0 H ASP A 23 11.898 0.630 -4.981 1.00 0.00 H new ATOM 0 HA ASP A 23 12.815 2.664 -6.730 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.831 -0.128 -7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.837 0.982 -8.524 1.00 0.00 H new ATOM 383 N ALA A 24 9.616 1.781 -6.741 1.00 0.00 N ATOM 384 CA ALA A 24 8.246 2.235 -6.982 1.00 0.00 C ATOM 385 C ALA A 24 8.007 3.578 -6.260 1.00 0.00 C ATOM 386 O ALA A 24 7.312 4.457 -6.748 1.00 0.00 O ATOM 387 CB ALA A 24 7.320 1.134 -6.477 1.00 0.00 C ATOM 0 H ALA A 24 9.693 0.824 -6.396 1.00 0.00 H new ATOM 0 HA ALA A 24 8.055 2.413 -8.040 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.283 1.429 -6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.522 0.211 -7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.492 0.974 -5.413 1.00 0.00 H new ATOM 393 N GLU A 25 8.650 3.657 -5.077 1.00 0.00 N ATOM 394 CA GLU A 25 8.626 4.849 -4.257 1.00 0.00 C ATOM 395 C GLU A 25 9.363 6.016 -4.950 1.00 0.00 C ATOM 396 O GLU A 25 8.876 7.130 -4.933 1.00 0.00 O ATOM 397 CB GLU A 25 9.230 4.559 -2.880 1.00 0.00 C ATOM 398 CG GLU A 25 8.290 3.774 -1.951 1.00 0.00 C ATOM 399 CD GLU A 25 8.690 3.933 -0.471 1.00 0.00 C ATOM 400 OE1 GLU A 25 9.881 4.013 -0.171 1.00 0.00 O ATOM 401 OE2 GLU A 25 7.800 3.990 0.374 1.00 0.00 O ATOM 0 H GLU A 25 9.193 2.891 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 25 7.587 5.150 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.154 3.996 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.495 5.502 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.266 4.121 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.308 2.718 -2.222 1.00 0.00 H new ATOM 408 N ARG A 26 10.534 5.722 -5.567 1.00 0.00 N ATOM 409 CA ARG A 26 11.344 6.760 -6.218 1.00 0.00 C ATOM 410 C ARG A 26 10.598 7.395 -7.396 1.00 0.00 C ATOM 411 O ARG A 26 10.726 8.577 -7.700 1.00 0.00 O ATOM 412 CB ARG A 26 12.699 6.177 -6.681 1.00 0.00 C ATOM 413 CG ARG A 26 12.783 5.569 -8.100 1.00 0.00 C ATOM 414 CD ARG A 26 13.771 4.396 -8.217 1.00 0.00 C ATOM 415 NE ARG A 26 14.969 4.798 -8.956 1.00 0.00 N ATOM 416 CZ ARG A 26 15.990 5.485 -8.386 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.939 5.853 -7.111 1.00 0.00 N ATOM 418 NH2 ARG A 26 17.060 5.806 -9.107 1.00 0.00 N ATOM 0 H ARG A 26 10.928 4.783 -5.623 1.00 0.00 H new ATOM 0 HA ARG A 26 11.534 7.544 -5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.444 6.970 -6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.990 5.404 -5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.792 5.227 -8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.076 6.349 -8.802 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.051 4.050 -7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.290 3.559 -8.722 1.00 0.00 H new ATOM 0 HE ARG A 26 15.039 4.551 -9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.123 5.619 -6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.716 6.369 -6.698 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.113 5.536 -10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.828 6.323 -8.678 1.00 0.00 H new ATOM 432 N GLN A 27 9.779 6.510 -8.007 1.00 0.00 N ATOM 433 CA GLN A 27 8.995 6.887 -9.169 1.00 0.00 C ATOM 434 C GLN A 27 7.809 7.754 -8.757 1.00 0.00 C ATOM 435 O GLN A 27 7.583 8.814 -9.327 1.00 0.00 O ATOM 436 CB GLN A 27 8.488 5.639 -9.913 1.00 0.00 C ATOM 437 CG GLN A 27 9.635 4.745 -10.400 1.00 0.00 C ATOM 438 CD GLN A 27 9.146 3.639 -11.345 1.00 0.00 C ATOM 439 OE1 GLN A 27 8.079 3.061 -11.178 1.00 0.00 O ATOM 440 NE2 GLN A 27 9.991 3.391 -12.356 1.00 0.00 N ATOM 0 H GLN A 27 9.655 5.543 -7.707 1.00 0.00 H new ATOM 0 HA GLN A 27 9.640 7.459 -9.837 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.838 5.065 -9.253 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.884 5.948 -10.766 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.378 5.356 -10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.132 4.294 -9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.864 3.913 -12.431 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.761 2.680 -13.050 1.00 0.00 H new ATOM 449 N LEU A 28 7.044 7.239 -7.768 1.00 0.00 N ATOM 450 CA LEU A 28 5.901 8.003 -7.315 1.00 0.00 C ATOM 451 C LEU A 28 6.326 9.370 -6.729 1.00 0.00 C ATOM 452 O LEU A 28 5.676 10.376 -6.969 1.00 0.00 O ATOM 453 CB LEU A 28 5.097 7.145 -6.331 1.00 0.00 C ATOM 454 CG LEU A 28 4.587 5.864 -6.995 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.149 4.889 -5.923 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.392 6.135 -7.894 1.00 0.00 C ATOM 0 H LEU A 28 7.198 6.345 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 28 5.256 8.246 -8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.721 6.889 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.253 7.720 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 28 5.399 5.458 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.785 3.974 -6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.995 4.654 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.352 5.336 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.059 5.201 -8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.581 6.561 -7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.678 6.837 -8.677 1.00 0.00 H new ATOM 468 N LEU A 29 7.461 9.350 -5.982 1.00 0.00 N ATOM 469 CA LEU A 29 8.022 10.533 -5.321 1.00 0.00 C ATOM 470 C LEU A 29 8.569 11.570 -6.309 1.00 0.00 C ATOM 471 O LEU A 29 9.048 12.620 -5.899 1.00 0.00 O ATOM 472 CB LEU A 29 9.174 10.126 -4.402 1.00 0.00 C ATOM 473 CG LEU A 29 8.688 9.405 -3.144 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.819 8.554 -2.567 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.137 10.403 -2.105 1.00 0.00 C ATOM 0 H LEU A 29 8.007 8.502 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 29 7.200 10.981 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.859 9.477 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.737 11.014 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 29 7.864 8.744 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.468 8.042 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.133 7.817 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.663 9.195 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.799 9.860 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.922 11.104 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.299 10.951 -2.536 1.00 0.00 H new ATOM 487 N ALA A 30 8.492 11.239 -7.613 1.00 0.00 N ATOM 488 CA ALA A 30 8.964 12.172 -8.626 1.00 0.00 C ATOM 489 C ALA A 30 8.095 13.437 -8.587 1.00 0.00 C ATOM 490 O ALA A 30 6.906 13.364 -8.308 1.00 0.00 O ATOM 491 CB ALA A 30 8.911 11.569 -10.034 1.00 0.00 C ATOM 0 H ALA A 30 8.119 10.360 -7.971 1.00 0.00 H new ATOM 0 HA ALA A 30 10.005 12.409 -8.404 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.272 12.300 -10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.540 10.679 -10.073 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.883 11.298 -10.275 1.00 0.00 H new ATOM 497 N PRO A 31 8.736 14.607 -8.865 1.00 0.00 N ATOM 498 CA PRO A 31 8.005 15.867 -8.848 1.00 0.00 C ATOM 499 C PRO A 31 7.009 16.052 -10.004 1.00 0.00 C ATOM 500 O PRO A 31 6.217 16.986 -10.010 1.00 0.00 O ATOM 501 CB PRO A 31 9.109 16.933 -9.026 1.00 0.00 C ATOM 502 CG PRO A 31 10.430 16.207 -9.273 1.00 0.00 C ATOM 503 CD PRO A 31 10.170 14.740 -9.030 1.00 0.00 C ATOM 0 HA PRO A 31 7.414 15.924 -7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.873 17.590 -9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.179 17.561 -8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.779 16.375 -10.292 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.207 16.578 -8.605 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.523 14.138 -9.867 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.698 14.393 -8.142 1.00 0.00 H new ATOM 511 N MET A 32 7.054 15.096 -10.946 1.00 0.00 N ATOM 512 CA MET A 32 6.131 15.102 -12.055 1.00 0.00 C ATOM 513 C MET A 32 4.737 14.664 -11.610 1.00 0.00 C ATOM 514 O MET A 32 3.726 15.120 -12.129 1.00 0.00 O ATOM 515 CB MET A 32 6.738 14.218 -13.143 1.00 0.00 C ATOM 516 CG MET A 32 7.631 15.010 -14.099 1.00 0.00 C ATOM 517 SD MET A 32 8.574 13.936 -15.191 1.00 0.00 S ATOM 518 CE MET A 32 9.854 13.443 -14.027 1.00 0.00 C ATOM 0 H MET A 32 7.719 14.323 -10.949 1.00 0.00 H new ATOM 0 HA MET A 32 5.987 16.105 -12.456 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.321 13.422 -12.679 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.938 13.739 -13.708 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.015 15.683 -14.696 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.316 15.632 -13.523 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.806 13.883 -14.325 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.590 13.790 -13.028 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.943 12.357 -14.022 1.00 0.00 H new ATOM 528 N ASN A 33 4.769 13.664 -10.715 1.00 0.00 N ATOM 529 CA ASN A 33 3.568 13.138 -10.095 1.00 0.00 C ATOM 530 C ASN A 33 3.393 13.498 -8.589 1.00 0.00 C ATOM 531 O ASN A 33 4.296 13.978 -7.919 1.00 0.00 O ATOM 532 CB ASN A 33 3.390 11.674 -10.395 1.00 0.00 C ATOM 533 CG ASN A 33 3.013 11.319 -11.821 1.00 0.00 C ATOM 534 OD1 ASN A 33 3.767 10.732 -12.573 1.00 0.00 O ATOM 535 ND2 ASN A 33 1.727 11.626 -12.064 1.00 0.00 N ATOM 0 H ASN A 33 5.629 13.207 -10.410 1.00 0.00 H new ATOM 0 HA ASN A 33 2.738 13.664 -10.567 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.319 11.159 -10.149 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.621 11.280 -9.730 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.298 11.362 -12.951 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.180 12.123 -11.361 1.00 0.00 H new ATOM 542 N LYS A 34 2.167 13.182 -8.101 1.00 0.00 N ATOM 543 CA LYS A 34 1.795 13.379 -6.703 1.00 0.00 C ATOM 544 C LYS A 34 0.714 12.364 -6.292 1.00 0.00 C ATOM 545 O LYS A 34 0.385 11.463 -7.047 1.00 0.00 O ATOM 546 CB LYS A 34 1.371 14.821 -6.451 1.00 0.00 C ATOM 547 CG LYS A 34 0.111 15.225 -7.216 1.00 0.00 C ATOM 548 CD LYS A 34 0.449 15.499 -8.666 1.00 0.00 C ATOM 549 CE LYS A 34 -0.475 16.535 -9.302 1.00 0.00 C ATOM 550 NZ LYS A 34 -0.283 16.685 -10.739 1.00 0.00 N ATOM 0 H LYS A 34 1.421 12.786 -8.674 1.00 0.00 H new ATOM 0 HA LYS A 34 2.666 13.197 -6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.200 14.960 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.187 15.486 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.633 14.431 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.330 16.113 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.480 15.847 -8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.388 14.569 -9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.510 16.253 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.313 17.499 -8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.941 17.403 -11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.695 16.983 -10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.465 15.776 -11.210 1.00 0.00 H new ATOM 564 N ALA A 35 0.097 12.660 -5.118 1.00 0.00 N ATOM 565 CA ALA A 35 -0.980 11.852 -4.525 1.00 0.00 C ATOM 566 C ALA A 35 -1.996 11.425 -5.614 1.00 0.00 C ATOM 567 O ALA A 35 -2.759 12.236 -6.125 1.00 0.00 O ATOM 568 CB ALA A 35 -1.682 12.660 -3.401 1.00 0.00 C ATOM 0 H ALA A 35 0.342 13.476 -4.558 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.552 10.948 -4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.479 12.059 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.956 12.916 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.105 13.574 -3.819 1.00 0.00 H new ATOM 574 N GLY A 36 -1.959 10.106 -5.924 1.00 0.00 N ATOM 575 CA GLY A 36 -2.823 9.547 -6.959 1.00 0.00 C ATOM 576 C GLY A 36 -2.058 8.577 -7.851 1.00 0.00 C ATOM 577 O GLY A 36 -2.578 7.538 -8.229 1.00 0.00 O ATOM 0 H GLY A 36 -1.345 9.429 -5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.664 9.032 -6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.237 10.353 -7.565 1.00 0.00 H new ATOM 581 N SER A 37 -0.794 8.954 -8.138 1.00 0.00 N ATOM 582 CA SER A 37 0.087 8.034 -8.857 1.00 0.00 C ATOM 583 C SER A 37 0.296 6.859 -7.894 1.00 0.00 C ATOM 584 O SER A 37 0.594 7.026 -6.710 1.00 0.00 O ATOM 585 CB SER A 37 1.424 8.692 -9.254 1.00 0.00 C ATOM 586 OG SER A 37 1.709 9.523 -8.045 1.00 0.00 O ATOM 0 H SER A 37 -0.381 9.853 -7.891 1.00 0.00 H new ATOM 0 HA SER A 37 -0.353 7.717 -9.802 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.206 7.956 -9.441 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.333 9.296 -10.157 1.00 0.00 H new ATOM 0 HG SER A 37 1.263 10.391 -8.132 1.00 0.00 H new ATOM 592 N PHE A 38 0.133 5.661 -8.507 1.00 0.00 N ATOM 593 CA PHE A 38 0.272 4.416 -7.759 1.00 0.00 C ATOM 594 C PHE A 38 1.183 3.451 -8.594 1.00 0.00 C ATOM 595 O PHE A 38 1.509 3.673 -9.753 1.00 0.00 O ATOM 596 CB PHE A 38 -1.100 3.702 -7.563 1.00 0.00 C ATOM 597 CG PHE A 38 -2.048 4.062 -6.438 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.298 5.348 -6.009 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.774 3.046 -5.834 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.265 5.616 -5.050 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.713 3.292 -4.845 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.966 4.588 -4.455 1.00 0.00 C ATOM 0 H PHE A 38 -0.090 5.545 -9.496 1.00 0.00 H new ATOM 0 HA PHE A 38 0.692 4.650 -6.781 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.655 3.831 -8.492 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.887 2.638 -7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.729 6.165 -6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.601 2.027 -6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.470 6.638 -4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.243 2.472 -4.383 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.703 4.797 -3.694 1.00 0.00 H new ATOM 612 N LEU A 39 1.518 2.352 -7.876 1.00 0.00 N ATOM 613 CA LEU A 39 2.355 1.213 -8.249 1.00 0.00 C ATOM 614 C LEU A 39 1.855 0.018 -7.498 1.00 0.00 C ATOM 615 O LEU A 39 1.719 0.126 -6.295 1.00 0.00 O ATOM 616 CB LEU A 39 3.835 1.375 -7.799 1.00 0.00 C ATOM 617 CG LEU A 39 4.799 2.043 -8.804 1.00 0.00 C ATOM 618 CD1 LEU A 39 4.902 1.020 -9.866 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.472 3.393 -9.518 1.00 0.00 C ATOM 0 H LEU A 39 1.166 2.242 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 39 2.308 1.125 -9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.848 1.957 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.227 0.387 -7.558 1.00 0.00 H new ATOM 0 HG LEU A 39 5.664 2.338 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.568 1.377 -10.652 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.300 0.097 -9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.914 0.831 -10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.296 3.665 -10.177 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.560 3.283 -10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.331 4.175 -8.771 1.00 0.00 H new ATOM 631 N ILE A 40 1.579 -1.101 -8.226 1.00 0.00 N ATOM 632 CA ILE A 40 1.089 -2.235 -7.439 1.00 0.00 C ATOM 633 C ILE A 40 2.246 -3.235 -7.684 1.00 0.00 C ATOM 634 O ILE A 40 2.278 -3.903 -8.707 1.00 0.00 O ATOM 635 CB ILE A 40 -0.359 -2.615 -7.939 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.261 -3.185 -6.845 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.424 -3.813 -8.887 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.701 -2.707 -7.093 1.00 0.00 C ATOM 0 H ILE A 40 1.675 -1.228 -9.234 1.00 0.00 H new ATOM 0 HA ILE A 40 0.916 -2.116 -6.369 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.656 -1.659 -8.370 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.219 -4.274 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.918 -2.857 -5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.460 -3.994 -9.174 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.168 -3.604 -9.778 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.026 -4.696 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.356 -3.107 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.732 -1.618 -7.068 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.038 -3.057 -8.069 1.00 0.00 H new ATOM 650 N ARG A 41 3.204 -3.313 -6.730 1.00 0.00 N ATOM 651 CA ARG A 41 4.317 -4.205 -7.008 1.00 0.00 C ATOM 652 C ARG A 41 3.972 -5.565 -6.396 1.00 0.00 C ATOM 653 O ARG A 41 3.141 -5.650 -5.506 1.00 0.00 O ATOM 654 CB ARG A 41 5.585 -3.558 -6.400 1.00 0.00 C ATOM 655 CG ARG A 41 5.756 -3.766 -4.891 1.00 0.00 C ATOM 656 CD ARG A 41 6.617 -4.988 -4.518 1.00 0.00 C ATOM 657 NE ARG A 41 7.862 -4.544 -3.896 1.00 0.00 N ATOM 658 CZ ARG A 41 8.775 -5.418 -3.426 1.00 0.00 C ATOM 659 NH1 ARG A 41 8.562 -6.723 -3.507 1.00 0.00 N ATOM 660 NH2 ARG A 41 9.900 -4.972 -2.883 1.00 0.00 N ATOM 0 H ARG A 41 3.223 -2.812 -5.842 1.00 0.00 H new ATOM 0 HA ARG A 41 4.503 -4.360 -8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.460 -3.961 -6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.562 -2.488 -6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.207 -2.872 -4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.771 -3.876 -4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.069 -5.636 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.835 -5.577 -5.409 1.00 0.00 H new ATOM 0 HE ARG A 41 8.046 -3.544 -3.815 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.702 -7.074 -3.928 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.258 -7.377 -3.149 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.074 -3.969 -2.821 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.591 -5.632 -2.527 1.00 0.00 H new ATOM 674 N GLU A 42 4.641 -6.610 -6.911 1.00 0.00 N ATOM 675 CA GLU A 42 4.362 -7.950 -6.399 1.00 0.00 C ATOM 676 C GLU A 42 5.343 -8.336 -5.298 1.00 0.00 C ATOM 677 O GLU A 42 6.523 -8.035 -5.427 1.00 0.00 O ATOM 678 CB GLU A 42 4.318 -8.963 -7.558 1.00 0.00 C ATOM 679 CG GLU A 42 5.642 -9.611 -7.965 1.00 0.00 C ATOM 680 CD GLU A 42 5.434 -10.764 -8.970 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.387 -10.817 -9.615 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.324 -11.603 -9.093 1.00 0.00 O ATOM 0 H GLU A 42 5.345 -6.555 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 42 3.376 -7.957 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.621 -9.757 -7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.904 -8.460 -8.432 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.294 -8.858 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.149 -9.990 -7.077 1.00 0.00 H new ATOM 689 N SER A 43 4.856 -9.044 -4.238 1.00 0.00 N ATOM 690 CA SER A 43 5.865 -9.416 -3.234 1.00 0.00 C ATOM 691 C SER A 43 6.609 -10.630 -3.897 1.00 0.00 C ATOM 692 O SER A 43 6.001 -11.617 -4.269 1.00 0.00 O ATOM 693 CB SER A 43 5.204 -9.678 -1.854 1.00 0.00 C ATOM 694 OG SER A 43 6.270 -9.337 -0.846 1.00 0.00 O ATOM 0 H SER A 43 3.892 -9.334 -4.074 1.00 0.00 H new ATOM 0 HA SER A 43 6.587 -8.637 -2.990 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.317 -9.060 -1.716 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.887 -10.716 -1.758 1.00 0.00 H new ATOM 0 HG SER A 43 5.921 -9.478 0.059 1.00 0.00 H new ATOM 700 N GLU A 44 7.927 -10.511 -4.103 1.00 0.00 N ATOM 701 CA GLU A 44 8.653 -11.598 -4.773 1.00 0.00 C ATOM 702 C GLU A 44 8.829 -12.880 -3.918 1.00 0.00 C ATOM 703 O GLU A 44 9.558 -13.783 -4.307 1.00 0.00 O ATOM 704 CB GLU A 44 9.977 -11.075 -5.322 1.00 0.00 C ATOM 705 CG GLU A 44 10.824 -10.240 -4.341 1.00 0.00 C ATOM 706 CD GLU A 44 11.285 -11.072 -3.133 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.195 -11.888 -3.290 1.00 0.00 O ATOM 708 OE2 GLU A 44 10.724 -10.893 -2.054 1.00 0.00 O ATOM 0 H GLU A 44 8.494 -9.708 -3.829 1.00 0.00 H new ATOM 0 HA GLU A 44 8.028 -11.927 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.572 -11.925 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.769 -10.467 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.695 -9.841 -4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.242 -9.387 -3.994 1.00 0.00 H new ATOM 715 N SER A 45 8.147 -12.920 -2.750 1.00 0.00 N ATOM 716 CA SER A 45 8.253 -14.065 -1.855 1.00 0.00 C ATOM 717 C SER A 45 6.898 -14.417 -1.227 1.00 0.00 C ATOM 718 O SER A 45 6.823 -14.951 -0.129 1.00 0.00 O ATOM 719 CB SER A 45 9.195 -13.635 -0.708 1.00 0.00 C ATOM 720 OG SER A 45 8.739 -12.606 0.267 1.00 0.00 O ATOM 0 H SER A 45 7.530 -12.178 -2.420 1.00 0.00 H new ATOM 0 HA SER A 45 8.612 -14.930 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.451 -14.531 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.117 -13.270 -1.161 1.00 0.00 H new ATOM 0 HG SER A 45 9.445 -12.446 0.928 1.00 0.00 H new ATOM 726 N ASN A 46 5.832 -14.040 -1.950 1.00 0.00 N ATOM 727 CA ASN A 46 4.478 -14.287 -1.487 1.00 0.00 C ATOM 728 C ASN A 46 3.752 -15.464 -2.143 1.00 0.00 C ATOM 729 O ASN A 46 4.137 -15.991 -3.179 1.00 0.00 O ATOM 730 CB ASN A 46 3.651 -13.044 -1.778 1.00 0.00 C ATOM 731 CG ASN A 46 3.649 -12.547 -3.253 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.576 -11.363 -3.490 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.732 -13.440 -4.245 1.00 0.00 N ATOM 0 H ASN A 46 5.891 -13.566 -2.851 1.00 0.00 H new ATOM 0 HA ASN A 46 4.574 -14.533 -0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.621 -13.242 -1.482 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.015 -12.235 -1.145 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.734 -13.126 -5.215 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.793 -14.435 -4.031 1.00 0.00 H new ATOM 740 N LYS A 47 2.672 -15.849 -1.435 1.00 0.00 N ATOM 741 CA LYS A 47 1.674 -16.797 -1.919 1.00 0.00 C ATOM 742 C LYS A 47 0.760 -16.195 -2.997 1.00 0.00 C ATOM 743 O LYS A 47 -0.443 -16.412 -2.969 1.00 0.00 O ATOM 744 CB LYS A 47 0.928 -17.569 -0.843 1.00 0.00 C ATOM 745 CG LYS A 47 0.548 -16.677 0.310 1.00 0.00 C ATOM 746 CD LYS A 47 1.670 -16.607 1.361 1.00 0.00 C ATOM 747 CE LYS A 47 1.142 -16.534 2.789 1.00 0.00 C ATOM 748 NZ LYS A 47 0.912 -15.156 3.196 1.00 0.00 N ATOM 0 H LYS A 47 2.474 -15.499 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 47 2.259 -17.574 -2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.030 -18.016 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.551 -18.387 -0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.331 -15.675 -0.060 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.365 -17.050 0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.310 -17.483 1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.292 -15.734 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.212 -17.098 2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.855 -17.002 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.553 -15.138 4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.805 -14.625 3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.213 -14.719 2.562 1.00 0.00 H new ATOM 762 N GLY A 48 1.351 -15.433 -3.932 1.00 0.00 N ATOM 763 CA GLY A 48 0.539 -14.786 -4.949 1.00 0.00 C ATOM 764 C GLY A 48 -0.028 -13.446 -4.447 1.00 0.00 C ATOM 765 O GLY A 48 -1.101 -13.020 -4.851 1.00 0.00 O ATOM 0 H GLY A 48 2.354 -15.260 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.140 -14.617 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.281 -15.445 -5.236 1.00 0.00 H new ATOM 769 N ALA A 49 0.779 -12.789 -3.577 1.00 0.00 N ATOM 770 CA ALA A 49 0.370 -11.491 -3.003 1.00 0.00 C ATOM 771 C ALA A 49 0.985 -10.324 -3.813 1.00 0.00 C ATOM 772 O ALA A 49 1.739 -10.513 -4.759 1.00 0.00 O ATOM 773 CB ALA A 49 0.813 -11.347 -1.512 1.00 0.00 C ATOM 0 H ALA A 49 1.690 -13.127 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.718 -11.454 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.492 -10.378 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.358 -12.140 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.898 -11.422 -1.446 1.00 0.00 H new ATOM 779 N PHE A 50 0.586 -9.108 -3.404 1.00 0.00 N ATOM 780 CA PHE A 50 1.071 -7.882 -4.028 1.00 0.00 C ATOM 781 C PHE A 50 1.195 -6.818 -2.903 1.00 0.00 C ATOM 782 O PHE A 50 0.939 -7.083 -1.735 1.00 0.00 O ATOM 783 CB PHE A 50 0.199 -7.484 -5.265 1.00 0.00 C ATOM 784 CG PHE A 50 0.322 -8.409 -6.458 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.389 -9.604 -6.498 1.00 0.00 C ATOM 786 CD2 PHE A 50 1.112 -8.090 -7.557 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.307 -10.458 -7.585 1.00 0.00 C ATOM 788 CE2 PHE A 50 1.166 -8.922 -8.670 1.00 0.00 C ATOM 789 CZ PHE A 50 0.456 -10.109 -8.684 1.00 0.00 C ATOM 0 H PHE A 50 -0.073 -8.956 -2.641 1.00 0.00 H new ATOM 0 HA PHE A 50 2.060 -8.003 -4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.846 -7.449 -4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.474 -6.476 -5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.019 -9.872 -5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.694 -7.180 -7.546 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.840 -11.398 -7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.763 -8.641 -9.525 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.497 -10.758 -9.546 1.00 0.00 H new ATOM 799 N SER A 51 1.533 -5.600 -3.346 1.00 0.00 N ATOM 800 CA SER A 51 1.671 -4.409 -2.517 1.00 0.00 C ATOM 801 C SER A 51 1.279 -3.197 -3.389 1.00 0.00 C ATOM 802 O SER A 51 1.216 -3.325 -4.600 1.00 0.00 O ATOM 803 CB SER A 51 3.120 -4.276 -2.016 1.00 0.00 C ATOM 804 OG SER A 51 3.503 -5.044 -0.798 1.00 0.00 O ATOM 0 H SER A 51 1.724 -5.417 -4.331 1.00 0.00 H new ATOM 0 HA SER A 51 1.027 -4.468 -1.640 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.784 -4.578 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.313 -3.221 -1.822 1.00 0.00 H new ATOM 0 HG SER A 51 4.445 -4.875 -0.587 1.00 0.00 H new ATOM 810 N LEU A 52 1.065 -2.031 -2.746 1.00 0.00 N ATOM 811 CA LEU A 52 0.677 -0.828 -3.495 1.00 0.00 C ATOM 812 C LEU A 52 1.229 0.454 -2.804 1.00 0.00 C ATOM 813 O LEU A 52 1.005 0.691 -1.624 1.00 0.00 O ATOM 814 CB LEU A 52 -0.872 -0.878 -3.498 1.00 0.00 C ATOM 815 CG LEU A 52 -1.615 0.172 -4.337 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.228 0.063 -5.808 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.150 0.071 -4.152 1.00 0.00 C ATOM 0 H LEU A 52 1.152 -1.901 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 52 1.082 -0.798 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.176 -1.864 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.213 -0.787 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.312 1.156 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.767 0.816 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.155 0.223 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.485 -0.929 -6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.641 0.830 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.489 -0.918 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.401 0.230 -3.103 1.00 0.00 H new ATOM 829 N SER A 53 1.986 1.229 -3.608 1.00 0.00 N ATOM 830 CA SER A 53 2.613 2.486 -3.235 1.00 0.00 C ATOM 831 C SER A 53 1.777 3.659 -3.800 1.00 0.00 C ATOM 832 O SER A 53 1.322 3.606 -4.932 1.00 0.00 O ATOM 833 CB SER A 53 4.031 2.515 -3.826 1.00 0.00 C ATOM 834 OG SER A 53 5.098 1.711 -3.175 1.00 0.00 O ATOM 0 H SER A 53 2.177 0.972 -4.576 1.00 0.00 H new ATOM 0 HA SER A 53 2.666 2.581 -2.150 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.962 2.191 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.362 3.554 -3.838 1.00 0.00 H new ATOM 0 HG SER A 53 5.940 1.829 -3.663 1.00 0.00 H new ATOM 840 N VAL A 54 1.619 4.720 -2.980 1.00 0.00 N ATOM 841 CA VAL A 54 0.877 5.914 -3.418 1.00 0.00 C ATOM 842 C VAL A 54 1.628 7.101 -2.856 1.00 0.00 C ATOM 843 O VAL A 54 2.224 6.968 -1.804 1.00 0.00 O ATOM 844 CB VAL A 54 -0.565 5.978 -2.859 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.376 7.184 -3.400 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.215 4.617 -3.053 1.00 0.00 C ATOM 0 H VAL A 54 1.988 4.772 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 54 0.804 5.898 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.541 6.181 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.378 7.171 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.875 8.112 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.446 7.117 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.233 4.641 -2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.237 4.372 -4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.641 3.860 -2.518 1.00 0.00 H new ATOM 856 N LYS A 55 1.542 8.264 -3.508 1.00 0.00 N ATOM 857 CA LYS A 55 2.302 9.333 -2.874 1.00 0.00 C ATOM 858 C LYS A 55 1.512 9.947 -1.718 1.00 0.00 C ATOM 859 O LYS A 55 0.395 10.417 -1.922 1.00 0.00 O ATOM 860 CB LYS A 55 2.557 10.303 -3.985 1.00 0.00 C ATOM 861 CG LYS A 55 3.371 11.582 -3.709 1.00 0.00 C ATOM 862 CD LYS A 55 4.536 11.706 -4.698 1.00 0.00 C ATOM 863 CE LYS A 55 5.410 12.928 -4.444 1.00 0.00 C ATOM 864 NZ LYS A 55 5.907 13.558 -5.663 1.00 0.00 N ATOM 0 H LYS A 55 1.026 8.474 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 55 3.234 8.994 -2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.064 9.759 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.588 10.612 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.724 12.455 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.754 11.562 -2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.151 10.808 -4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.140 11.755 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.838 13.660 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.258 12.635 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.660 14.234 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.287 12.829 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.129 14.060 -6.136 1.00 0.00 H new ATOM 878 N ASP A 56 2.162 9.982 -0.522 1.00 0.00 N ATOM 879 CA ASP A 56 1.417 10.630 0.552 1.00 0.00 C ATOM 880 C ASP A 56 2.039 12.013 0.676 1.00 0.00 C ATOM 881 O ASP A 56 3.195 12.260 0.356 1.00 0.00 O ATOM 882 CB ASP A 56 1.574 9.860 1.869 1.00 0.00 C ATOM 883 CG ASP A 56 0.268 9.672 2.655 1.00 0.00 C ATOM 884 OD1 ASP A 56 -0.637 9.013 2.157 1.00 0.00 O ATOM 885 OD2 ASP A 56 0.179 10.167 3.777 1.00 0.00 O ATOM 0 H ASP A 56 3.088 9.613 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 56 0.349 10.669 0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.998 8.879 1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.291 10.386 2.500 1.00 0.00 H new ATOM 890 N ILE A 57 1.165 12.875 1.204 1.00 0.00 N ATOM 891 CA ILE A 57 1.487 14.289 1.292 1.00 0.00 C ATOM 892 C ILE A 57 0.858 14.890 2.559 1.00 0.00 C ATOM 893 O ILE A 57 -0.338 14.800 2.801 1.00 0.00 O ATOM 894 CB ILE A 57 0.988 15.026 0.034 1.00 0.00 C ATOM 895 CG1 ILE A 57 1.394 14.318 -1.292 1.00 0.00 C ATOM 896 CG2 ILE A 57 1.474 16.484 0.058 1.00 0.00 C ATOM 897 CD1 ILE A 57 1.358 15.234 -2.507 1.00 0.00 C ATOM 0 H ILE A 57 0.248 12.619 1.569 1.00 0.00 H new ATOM 0 HA ILE A 57 2.569 14.407 1.352 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.102 15.007 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.399 13.911 -1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.725 13.474 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.119 17.001 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.085 16.983 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.564 16.504 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.652 14.673 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.348 15.621 -2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.048 16.064 -2.357 1.00 0.00 H new ATOM 909 N THR A 58 1.795 15.347 3.413 1.00 0.00 N ATOM 910 CA THR A 58 1.464 15.987 4.685 1.00 0.00 C ATOM 911 C THR A 58 2.280 17.280 4.820 1.00 0.00 C ATOM 912 O THR A 58 3.205 17.537 4.056 1.00 0.00 O ATOM 913 CB THR A 58 1.699 14.994 5.830 1.00 0.00 C ATOM 914 OG1 THR A 58 1.268 15.700 7.049 1.00 0.00 O ATOM 915 CG2 THR A 58 3.118 14.353 5.630 1.00 0.00 C ATOM 0 H THR A 58 2.797 15.279 3.234 1.00 0.00 H new ATOM 0 HA THR A 58 0.412 16.267 4.726 1.00 0.00 H new ATOM 0 HB THR A 58 1.114 14.076 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.391 15.116 7.826 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.312 13.641 6.432 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.152 13.837 4.671 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.877 15.136 5.648 1.00 0.00 H new ATOM 923 N THR A 59 1.863 18.080 5.824 1.00 0.00 N ATOM 924 CA THR A 59 2.505 19.346 6.169 1.00 0.00 C ATOM 925 C THR A 59 3.960 19.116 6.677 1.00 0.00 C ATOM 926 O THR A 59 4.669 20.076 6.963 1.00 0.00 O ATOM 927 CB THR A 59 1.609 20.190 7.158 1.00 0.00 C ATOM 928 OG1 THR A 59 1.911 21.586 7.542 1.00 0.00 O ATOM 929 CG2 THR A 59 1.548 19.475 8.523 1.00 0.00 C ATOM 0 H THR A 59 1.064 17.855 6.417 1.00 0.00 H new ATOM 0 HA THR A 59 2.597 19.950 5.267 1.00 0.00 H new ATOM 0 HB THR A 59 0.721 20.256 6.529 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.224 21.911 8.161 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.930 20.054 9.210 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.116 18.483 8.395 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.555 19.382 8.931 1.00 0.00 H new ATOM 937 N GLN A 60 4.365 17.819 6.789 1.00 0.00 N ATOM 938 CA GLN A 60 5.703 17.489 7.287 1.00 0.00 C ATOM 939 C GLN A 60 6.686 17.238 6.125 1.00 0.00 C ATOM 940 O GLN A 60 7.691 17.925 5.990 1.00 0.00 O ATOM 941 CB GLN A 60 5.632 16.261 8.200 1.00 0.00 C ATOM 942 CG GLN A 60 4.821 16.497 9.483 1.00 0.00 C ATOM 943 CD GLN A 60 4.337 15.149 10.026 1.00 0.00 C ATOM 944 OE1 GLN A 60 3.241 14.688 9.737 1.00 0.00 O ATOM 945 NE2 GLN A 60 5.249 14.553 10.812 1.00 0.00 N ATOM 0 H GLN A 60 3.789 17.013 6.544 1.00 0.00 H new ATOM 0 HA GLN A 60 6.074 18.340 7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.189 15.432 7.647 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.644 15.960 8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.435 17.004 10.228 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.970 17.146 9.276 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.140 15.013 10.999 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.051 13.640 11.222 1.00 0.00 H new ATOM 954 N GLY A 61 6.356 16.209 5.324 1.00 0.00 N ATOM 955 CA GLY A 61 7.204 15.866 4.186 1.00 0.00 C ATOM 956 C GLY A 61 6.471 14.961 3.189 1.00 0.00 C ATOM 957 O GLY A 61 5.475 14.322 3.506 1.00 0.00 O ATOM 0 H GLY A 61 5.532 15.620 5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.525 16.778 3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.104 15.364 4.540 1.00 0.00 H new ATOM 961 N GLU A 62 7.022 14.972 1.957 1.00 0.00 N ATOM 962 CA GLU A 62 6.486 14.182 0.870 1.00 0.00 C ATOM 963 C GLU A 62 7.060 12.760 0.937 1.00 0.00 C ATOM 964 O GLU A 62 8.268 12.554 0.953 1.00 0.00 O ATOM 965 CB GLU A 62 6.899 14.867 -0.438 1.00 0.00 C ATOM 966 CG GLU A 62 5.853 14.602 -1.506 1.00 0.00 C ATOM 967 CD GLU A 62 5.964 15.576 -2.690 1.00 0.00 C ATOM 968 OE1 GLU A 62 6.987 15.566 -3.373 1.00 0.00 O ATOM 969 OE2 GLU A 62 5.011 16.317 -2.931 1.00 0.00 O ATOM 0 H GLU A 62 7.840 15.527 1.707 1.00 0.00 H new ATOM 0 HA GLU A 62 5.400 14.111 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.007 15.940 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.869 14.493 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.959 13.580 -1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.859 14.682 -1.065 1.00 0.00 H new ATOM 976 N VAL A 63 6.105 11.806 0.980 1.00 0.00 N ATOM 977 CA VAL A 63 6.423 10.391 1.076 1.00 0.00 C ATOM 978 C VAL A 63 5.544 9.598 0.086 1.00 0.00 C ATOM 979 O VAL A 63 4.860 10.157 -0.762 1.00 0.00 O ATOM 980 CB VAL A 63 6.186 9.932 2.537 1.00 0.00 C ATOM 981 CG1 VAL A 63 6.961 10.793 3.552 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.685 9.894 2.887 1.00 0.00 C ATOM 0 H VAL A 63 5.105 12.007 0.949 1.00 0.00 H new ATOM 0 HA VAL A 63 7.466 10.210 0.815 1.00 0.00 H new ATOM 0 HB VAL A 63 6.574 8.916 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.763 10.432 4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.029 10.725 3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.640 11.831 3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.560 9.567 3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.258 10.890 2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.174 9.198 2.222 1.00 0.00 H new ATOM 992 N VAL A 64 5.627 8.254 0.270 1.00 0.00 N ATOM 993 CA VAL A 64 4.803 7.289 -0.452 1.00 0.00 C ATOM 994 C VAL A 64 3.855 6.690 0.607 1.00 0.00 C ATOM 995 O VAL A 64 3.711 7.225 1.693 1.00 0.00 O ATOM 996 CB VAL A 64 5.688 6.270 -1.204 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.980 5.272 -2.135 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.619 7.003 -2.132 1.00 0.00 C ATOM 0 H VAL A 64 6.275 7.823 0.929 1.00 0.00 H new ATOM 0 HA VAL A 64 4.204 7.732 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 64 6.149 5.717 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.719 4.618 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.275 4.673 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.443 5.817 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.244 6.285 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.037 7.579 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.252 7.677 -1.555 1.00 0.00 H new ATOM 1008 N LYS A 65 3.231 5.569 0.241 1.00 0.00 N ATOM 1009 CA LYS A 65 2.348 4.793 1.103 1.00 0.00 C ATOM 1010 C LYS A 65 2.553 3.312 0.854 1.00 0.00 C ATOM 1011 O LYS A 65 3.116 2.940 -0.155 1.00 0.00 O ATOM 1012 CB LYS A 65 0.884 5.150 0.850 1.00 0.00 C ATOM 1013 CG LYS A 65 0.467 6.363 1.662 1.00 0.00 C ATOM 1014 CD LYS A 65 0.776 6.206 3.173 1.00 0.00 C ATOM 1015 CE LYS A 65 -0.286 6.758 4.129 1.00 0.00 C ATOM 1016 NZ LYS A 65 -0.675 5.857 5.209 1.00 0.00 N ATOM 0 H LYS A 65 3.331 5.167 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 65 2.592 5.030 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.734 5.350 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.250 4.301 1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.981 7.245 1.280 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.601 6.534 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.917 5.147 3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.723 6.703 3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.087 7.684 4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.175 7.013 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.396 6.316 5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.065 4.981 4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.158 5.631 5.789 1.00 0.00 H new ATOM 1030 N HIS A 66 2.006 2.496 1.777 1.00 0.00 N ATOM 1031 CA HIS A 66 2.089 1.053 1.611 1.00 0.00 C ATOM 1032 C HIS A 66 0.764 0.403 2.078 1.00 0.00 C ATOM 1033 O HIS A 66 0.463 0.387 3.265 1.00 0.00 O ATOM 1034 CB HIS A 66 3.229 0.513 2.492 1.00 0.00 C ATOM 1035 CG HIS A 66 4.571 0.831 1.893 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.517 1.569 2.506 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.066 0.403 0.656 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.559 1.587 1.661 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.318 0.894 0.535 1.00 0.00 N ATOM 0 H HIS A 66 1.519 2.810 2.616 1.00 0.00 H new ATOM 0 HA HIS A 66 2.272 0.819 0.562 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.160 0.948 3.489 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.125 -0.566 2.607 1.00 0.00 H new ATOM 0 HD1 HIS A 66 5.454 2.019 3.419 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.544 -0.206 -0.067 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.487 2.101 1.863 1.00 0.00 H new ATOM 1047 N TYR A 67 0.028 -0.156 1.094 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.248 -0.857 1.319 1.00 0.00 C ATOM 1049 C TYR A 67 -1.037 -2.331 0.883 1.00 0.00 C ATOM 1050 O TYR A 67 -0.679 -2.613 -0.255 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.366 -0.252 0.456 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.827 1.083 0.954 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.656 1.192 2.062 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.387 2.227 0.315 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -4.010 2.449 2.533 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.731 3.488 0.770 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.566 3.611 1.905 1.00 0.00 C ATOM 1058 OH TYR A 67 -4.070 4.778 2.491 1.00 0.00 O ATOM 0 H TYR A 67 0.308 -0.132 0.113 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.537 -0.772 2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.011 -0.149 -0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.213 -0.938 0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.023 0.304 2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.760 2.135 -0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.643 2.528 3.405 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.366 4.369 0.264 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.434 5.363 1.794 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.221 -3.227 1.869 1.00 0.00 N ATOM 1069 CA LYS A 68 -1.062 -4.664 1.691 1.00 0.00 C ATOM 1070 C LYS A 68 -2.273 -5.317 0.986 1.00 0.00 C ATOM 1071 O LYS A 68 -3.378 -5.315 1.507 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.701 -5.280 3.044 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.898 -5.412 3.972 1.00 0.00 C ATOM 1074 CD LYS A 68 -2.604 -6.761 3.783 1.00 0.00 C ATOM 1075 CE LYS A 68 -2.470 -7.671 4.997 1.00 0.00 C ATOM 1076 NZ LYS A 68 -1.213 -8.413 5.010 1.00 0.00 N ATOM 0 H LYS A 68 -1.487 -2.962 2.817 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.241 -4.866 1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.262 -6.265 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.060 -4.666 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.571 -5.312 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.601 -4.601 3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.661 -6.588 3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.189 -7.264 2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.543 -7.072 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.302 -8.375 5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.174 -9.016 5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.152 -9.007 4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.416 -7.745 5.024 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.014 -5.815 -0.241 1.00 0.00 N ATOM 1091 CA ILE A 69 -2.971 -6.560 -1.065 1.00 0.00 C ATOM 1092 C ILE A 69 -2.801 -8.075 -0.855 1.00 0.00 C ATOM 1093 O ILE A 69 -1.751 -8.653 -1.129 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.045 -6.175 -2.540 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -1.721 -5.668 -3.056 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.304 -5.404 -2.966 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -1.856 -4.999 -4.392 1.00 0.00 C ATOM 0 H ILE A 69 -1.106 -5.703 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.950 -6.253 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.214 -7.101 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.298 -4.964 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.021 -6.500 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.252 -5.182 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.187 -6.010 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.367 -4.472 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.878 -4.650 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.253 -5.710 -5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.535 -4.150 -4.307 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.883 -8.654 -0.315 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.919 -10.082 -0.072 1.00 0.00 C ATOM 1111 C ARG A 70 -4.709 -10.746 -1.177 1.00 0.00 C ATOM 1112 O ARG A 70 -5.714 -10.214 -1.607 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.528 -10.367 1.287 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.427 -10.364 2.350 1.00 0.00 C ATOM 1115 CD ARG A 70 -3.801 -11.430 3.366 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.231 -11.128 4.676 1.00 0.00 N ATOM 1117 CZ ARG A 70 -3.339 -11.958 5.733 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -3.992 -13.103 5.616 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -2.798 -11.626 6.900 1.00 0.00 N ATOM 0 H ARG A 70 -4.729 -8.153 -0.045 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.906 -10.486 -0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.280 -9.615 1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.034 -11.332 1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.456 -10.579 1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.350 -9.386 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.886 -11.498 3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.445 -12.402 3.026 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.728 -10.249 4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.415 -13.360 4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.072 -13.729 6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.300 -10.741 6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.881 -12.256 7.698 1.00 0.00 H new ATOM 1133 N SER A 71 -4.209 -11.931 -1.577 1.00 0.00 N ATOM 1134 CA SER A 71 -4.871 -12.703 -2.618 1.00 0.00 C ATOM 1135 C SER A 71 -5.498 -13.907 -1.948 1.00 0.00 C ATOM 1136 O SER A 71 -4.837 -14.778 -1.392 1.00 0.00 O ATOM 1137 CB SER A 71 -3.889 -13.196 -3.700 1.00 0.00 C ATOM 1138 OG SER A 71 -2.746 -14.014 -3.208 1.00 0.00 O ATOM 0 H SER A 71 -3.365 -12.359 -1.197 1.00 0.00 H new ATOM 0 HA SER A 71 -5.606 -12.069 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.446 -13.784 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.491 -12.328 -4.227 1.00 0.00 H new ATOM 0 HG SER A 71 -3.034 -14.549 -2.439 1.00 0.00 H new ATOM 1144 N LEU A 72 -6.835 -13.847 -2.022 1.00 0.00 N ATOM 1145 CA LEU A 72 -7.683 -14.855 -1.430 1.00 0.00 C ATOM 1146 C LEU A 72 -7.981 -15.918 -2.466 1.00 0.00 C ATOM 1147 O LEU A 72 -8.049 -15.669 -3.666 1.00 0.00 O ATOM 1148 CB LEU A 72 -8.966 -14.222 -0.862 1.00 0.00 C ATOM 1149 CG LEU A 72 -8.753 -12.842 -0.274 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.488 -12.825 0.603 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.857 -11.783 -1.386 1.00 0.00 C ATOM 0 H LEU A 72 -7.343 -13.098 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.170 -15.326 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.712 -14.159 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.374 -14.877 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.545 -12.569 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.347 -11.827 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.598 -13.544 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.622 -13.091 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.703 -10.792 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.096 -11.974 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.845 -11.832 -1.844 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.202 -17.096 -1.862 1.00 0.00 N ATOM 1164 CA ASP A 73 -8.492 -18.321 -2.592 1.00 0.00 C ATOM 1165 C ASP A 73 -9.796 -18.267 -3.400 1.00 0.00 C ATOM 1166 O ASP A 73 -10.037 -19.119 -4.246 1.00 0.00 O ATOM 1167 CB ASP A 73 -8.575 -19.491 -1.604 1.00 0.00 C ATOM 1168 CG ASP A 73 -9.670 -19.328 -0.523 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -10.852 -19.377 -0.860 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -9.320 -19.158 0.642 1.00 0.00 O ATOM 0 H ASP A 73 -8.183 -17.217 -0.849 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.680 -18.453 -3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.762 -20.410 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.609 -19.607 -1.113 1.00 0.00 H new ATOM 1175 N ASN A 74 -10.606 -17.224 -3.113 1.00 0.00 N ATOM 1176 CA ASN A 74 -11.878 -17.121 -3.821 1.00 0.00 C ATOM 1177 C ASN A 74 -11.755 -16.338 -5.134 1.00 0.00 C ATOM 1178 O ASN A 74 -12.707 -16.238 -5.896 1.00 0.00 O ATOM 1179 CB ASN A 74 -12.926 -16.456 -2.902 1.00 0.00 C ATOM 1180 CG ASN A 74 -12.610 -14.978 -2.622 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -12.041 -14.624 -1.601 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -13.017 -14.144 -3.593 1.00 0.00 N ATOM 0 H ASN A 74 -10.410 -16.487 -2.436 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.195 -18.131 -4.081 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.910 -16.533 -3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.974 -16.999 -1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.856 -13.141 -3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.487 -14.514 -4.419 1.00 0.00 H new ATOM 1189 N GLY A 75 -10.525 -15.843 -5.357 1.00 0.00 N ATOM 1190 CA GLY A 75 -10.236 -15.130 -6.589 1.00 0.00 C ATOM 1191 C GLY A 75 -10.579 -13.645 -6.501 1.00 0.00 C ATOM 1192 O GLY A 75 -11.511 -13.163 -7.129 1.00 0.00 O ATOM 0 H GLY A 75 -9.740 -15.926 -4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.179 -15.241 -6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.798 -15.581 -7.406 1.00 0.00 H new ATOM 1196 N GLY A 76 -9.737 -12.981 -5.688 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.774 -11.581 -5.386 1.00 0.00 C ATOM 1198 C GLY A 76 -8.514 -11.077 -4.680 1.00 0.00 C ATOM 1199 O GLY A 76 -7.565 -11.792 -4.376 1.00 0.00 O ATOM 0 H GLY A 76 -8.975 -13.458 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.911 -11.021 -6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.640 -11.376 -4.757 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.661 -9.774 -4.385 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.679 -8.929 -3.739 1.00 0.00 C ATOM 1205 C TYR A 77 -8.465 -8.038 -2.789 1.00 0.00 C ATOM 1206 O TYR A 77 -9.574 -7.611 -3.079 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.883 -8.108 -4.775 1.00 0.00 C ATOM 1208 CG TYR A 77 -6.087 -8.983 -5.700 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -4.814 -9.374 -5.329 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -6.599 -9.404 -6.921 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -4.056 -10.202 -6.146 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -5.852 -10.207 -7.774 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.575 -10.628 -7.377 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.818 -11.450 -8.204 1.00 0.00 O ATOM 0 H TYR A 77 -9.518 -9.269 -4.608 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.935 -9.514 -3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.571 -7.497 -5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.211 -7.424 -4.256 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.404 -9.031 -4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.594 -9.102 -7.212 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.071 -10.517 -5.835 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.251 -10.504 -8.733 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.870 -11.219 -8.115 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.812 -7.803 -1.635 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.478 -7.000 -0.592 1.00 0.00 C ATOM 1226 C TYR A 78 -7.437 -6.257 0.235 1.00 0.00 C ATOM 1227 O TYR A 78 -6.313 -6.712 0.412 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.403 -7.859 0.321 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.812 -8.366 1.630 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.757 -7.496 2.724 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.351 -9.680 1.798 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.244 -7.876 3.947 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -7.869 -10.085 3.043 1.00 0.00 C ATOM 1234 CZ TYR A 78 -7.786 -9.188 4.116 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.262 -9.609 5.333 1.00 0.00 O ATOM 0 H TYR A 78 -6.875 -8.136 -1.407 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.121 -6.277 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.288 -7.268 0.556 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.739 -8.722 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.130 -6.489 2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.369 -10.373 0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.196 -7.171 4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.554 -11.109 3.182 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.996 -10.550 5.267 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.860 -5.005 0.558 1.00 0.00 N ATOM 1246 CA ILE A 79 -6.947 -4.162 1.365 1.00 0.00 C ATOM 1247 C ILE A 79 -7.634 -3.771 2.672 1.00 0.00 C ATOM 1248 O ILE A 79 -7.078 -3.903 3.756 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.339 -2.963 0.623 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.327 -2.283 -0.290 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.103 -3.296 -0.185 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.658 -1.177 -1.160 1.00 0.00 C ATOM 0 H ILE A 79 -8.752 -4.586 0.297 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.073 -4.773 1.590 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.051 -2.288 1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.789 -3.026 -0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.126 -1.841 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.737 -2.395 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.330 -3.688 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.351 -4.045 -0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.408 -0.715 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.219 -0.419 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.877 -1.622 -1.777 1.00 0.00 H new ATOM 1264 N SER A 80 -8.900 -3.369 2.488 1.00 0.00 N ATOM 1265 CA SER A 80 -9.743 -3.013 3.601 1.00 0.00 C ATOM 1266 C SER A 80 -10.767 -4.126 3.489 1.00 0.00 C ATOM 1267 O SER A 80 -11.343 -4.322 2.431 1.00 0.00 O ATOM 1268 CB SER A 80 -10.462 -1.651 3.417 1.00 0.00 C ATOM 1269 OG SER A 80 -9.431 -0.681 2.927 1.00 0.00 O ATOM 0 H SER A 80 -9.347 -3.288 1.575 1.00 0.00 H new ATOM 0 HA SER A 80 -9.203 -2.913 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.280 -1.739 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.895 -1.312 4.358 1.00 0.00 H new ATOM 0 HG SER A 80 -9.845 0.197 2.795 1.00 0.00 H new ATOM 1275 N PRO A 81 -10.978 -4.864 4.607 1.00 0.00 N ATOM 1276 CA PRO A 81 -11.896 -5.988 4.585 1.00 0.00 C ATOM 1277 C PRO A 81 -13.366 -5.608 4.350 1.00 0.00 C ATOM 1278 O PRO A 81 -14.227 -6.467 4.222 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.757 -6.584 5.993 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.665 -5.839 6.743 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.249 -4.706 5.849 1.00 0.00 C ATOM 0 HA PRO A 81 -11.649 -6.658 3.761 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.703 -6.505 6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.514 -7.645 5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.032 -5.467 7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.822 -6.496 6.959 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.476 -3.745 6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.174 -4.728 5.672 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.582 -4.281 4.220 1.00 0.00 N ATOM 1290 CA ARG A 82 -14.924 -3.785 3.943 1.00 0.00 C ATOM 1291 C ARG A 82 -15.196 -3.779 2.407 1.00 0.00 C ATOM 1292 O ARG A 82 -16.338 -3.648 1.988 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.067 -2.386 4.579 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.200 -1.306 3.909 1.00 0.00 C ATOM 1295 CD ARG A 82 -15.035 -0.457 2.952 1.00 0.00 C ATOM 1296 NE ARG A 82 -15.735 0.606 3.667 1.00 0.00 N ATOM 1297 CZ ARG A 82 -15.173 1.809 3.905 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -13.932 2.066 3.520 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -15.863 2.752 4.529 1.00 0.00 N ATOM 0 H ARG A 82 -12.862 -3.563 4.301 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.676 -4.440 4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.112 -2.081 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.801 -2.448 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.752 -0.669 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.381 -1.776 3.365 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.389 -0.022 2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.757 -1.089 2.436 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.684 0.433 3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -13.389 1.350 3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -13.519 2.980 3.706 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.820 2.569 4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -15.437 3.661 4.708 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.101 -3.999 1.626 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.055 -4.017 0.164 1.00 0.00 C ATOM 1315 C ILE A 83 -12.953 -4.938 -0.449 1.00 0.00 C ATOM 1316 O ILE A 83 -11.735 -4.790 -0.256 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.014 -2.633 -0.439 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -12.896 -1.775 0.112 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.350 -1.890 -0.289 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -12.970 -0.461 -0.690 1.00 0.00 C ATOM 0 H ILE A 83 -13.185 -4.177 2.038 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.003 -4.475 -0.117 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.819 -2.798 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.026 -1.594 1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.928 -2.260 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.268 -0.900 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.137 -2.452 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.594 -1.789 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.188 0.218 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.829 -0.673 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -13.945 0.003 -0.539 1.00 0.00 H new ATOM 1332 N THR A 84 -13.549 -5.926 -1.168 1.00 0.00 N ATOM 1333 CA THR A 84 -12.826 -6.955 -1.915 1.00 0.00 C ATOM 1334 C THR A 84 -13.142 -6.764 -3.430 1.00 0.00 C ATOM 1335 O THR A 84 -14.189 -6.240 -3.790 1.00 0.00 O ATOM 1336 CB THR A 84 -13.267 -8.367 -1.453 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.609 -8.109 -0.033 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.058 -9.321 -1.756 1.00 0.00 C ATOM 0 H THR A 84 -14.562 -6.019 -1.237 1.00 0.00 H new ATOM 0 HA THR A 84 -11.755 -6.862 -1.737 1.00 0.00 H new ATOM 0 HB THR A 84 -14.114 -8.858 -1.932 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.912 -8.941 0.387 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.310 -10.336 -1.450 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.842 -9.307 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.181 -8.983 -1.204 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.211 -7.249 -4.272 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.346 -7.197 -5.743 1.00 0.00 C ATOM 1348 C PHE A 85 -11.815 -8.535 -6.316 1.00 0.00 C ATOM 1349 O PHE A 85 -11.217 -9.282 -5.566 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.577 -5.980 -6.260 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.204 -4.699 -5.768 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.292 -4.146 -6.436 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.706 -4.056 -4.638 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -13.870 -2.965 -5.987 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.278 -2.876 -4.188 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.364 -2.332 -4.857 1.00 0.00 C ATOM 0 H PHE A 85 -11.346 -7.687 -3.955 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.382 -7.083 -6.061 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.540 -6.033 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.565 -5.989 -7.350 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.690 -4.639 -7.311 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.867 -4.480 -4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.711 -2.539 -6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.878 -2.380 -3.316 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.816 -1.418 -4.501 1.00 0.00 H new ATOM 1366 N PRO A 86 -11.983 -8.815 -7.645 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.461 -10.087 -8.210 1.00 0.00 C ATOM 1368 C PRO A 86 -10.064 -9.934 -8.839 1.00 0.00 C ATOM 1369 O PRO A 86 -9.281 -10.876 -8.830 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.389 -10.323 -9.445 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.299 -9.092 -9.622 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.048 -8.189 -8.429 1.00 0.00 C ATOM 0 HA PRO A 86 -11.425 -10.850 -7.433 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.791 -10.483 -10.342 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.991 -11.220 -9.299 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.072 -8.574 -10.554 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.347 -9.389 -9.669 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.754 -7.191 -8.754 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -13.953 -8.076 -7.832 1.00 0.00 H new ATOM 1380 N THR A 87 -9.733 -8.700 -9.266 1.00 0.00 N ATOM 1381 CA THR A 87 -8.396 -8.446 -9.809 1.00 0.00 C ATOM 1382 C THR A 87 -8.053 -7.044 -9.367 1.00 0.00 C ATOM 1383 O THR A 87 -8.906 -6.277 -8.928 1.00 0.00 O ATOM 1384 CB THR A 87 -8.248 -8.629 -11.345 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.086 -8.112 -12.099 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.454 -8.008 -12.023 1.00 0.00 C ATOM 0 H THR A 87 -10.354 -7.891 -9.245 1.00 0.00 H new ATOM 0 HA THR A 87 -7.703 -9.195 -9.427 1.00 0.00 H new ATOM 0 HB THR A 87 -8.119 -9.711 -11.384 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.187 -8.334 -13.048 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.366 -8.128 -13.103 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.361 -8.502 -11.676 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.503 -6.947 -11.778 1.00 0.00 H new ATOM 1394 N LEU A 88 -6.767 -6.722 -9.582 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.372 -5.400 -9.158 1.00 0.00 C ATOM 1396 C LEU A 88 -6.904 -4.361 -10.132 1.00 0.00 C ATOM 1397 O LEU A 88 -6.911 -3.191 -9.799 1.00 0.00 O ATOM 1398 CB LEU A 88 -4.855 -5.223 -9.183 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.064 -5.679 -7.977 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -4.579 -4.999 -6.750 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.046 -7.136 -7.718 1.00 0.00 C ATOM 0 H LEU A 88 -6.050 -7.309 -10.009 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.764 -5.276 -8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.472 -5.755 -10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.645 -4.165 -9.338 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.036 -5.405 -8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.007 -5.330 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.476 -3.920 -6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.630 -5.251 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.449 -7.340 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.065 -7.490 -7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.612 -7.652 -8.574 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.329 -4.787 -11.340 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.857 -3.716 -12.214 1.00 0.00 C ATOM 1415 C GLN A 89 -9.162 -3.154 -11.640 1.00 0.00 C ATOM 1416 O GLN A 89 -9.381 -1.955 -11.675 1.00 0.00 O ATOM 1417 CB GLN A 89 -7.951 -4.009 -13.729 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.237 -5.458 -14.075 1.00 0.00 C ATOM 1419 CD GLN A 89 -9.650 -5.706 -14.611 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -9.858 -5.928 -15.794 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -10.603 -5.657 -13.667 1.00 0.00 N ATOM 0 H GLN A 89 -7.325 -5.740 -11.703 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.080 -2.952 -12.193 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.735 -3.385 -14.159 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.014 -3.714 -14.202 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.514 -5.792 -14.819 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.085 -6.070 -13.186 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.351 -5.466 -12.697 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.579 -5.811 -13.919 1.00 0.00 H new ATOM 1430 N ALA A 90 -9.983 -4.074 -11.077 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.268 -3.652 -10.527 1.00 0.00 C ATOM 1432 C ALA A 90 -11.108 -2.994 -9.148 1.00 0.00 C ATOM 1433 O ALA A 90 -11.924 -2.193 -8.715 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.168 -4.894 -10.361 1.00 0.00 C ATOM 0 H ALA A 90 -9.779 -5.070 -10.999 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.705 -2.926 -11.212 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.132 -4.593 -9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.319 -5.367 -11.332 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.690 -5.602 -9.683 1.00 0.00 H new ATOM 1440 N LEU A 91 -9.991 -3.352 -8.499 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.691 -2.769 -7.205 1.00 0.00 C ATOM 1442 C LEU A 91 -9.221 -1.335 -7.395 1.00 0.00 C ATOM 1443 O LEU A 91 -9.658 -0.424 -6.715 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.674 -3.684 -6.502 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.687 -2.996 -5.542 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.161 -3.907 -4.411 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.520 -2.415 -6.372 1.00 0.00 C ATOM 0 H LEU A 91 -9.305 -4.023 -8.844 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.569 -2.707 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.224 -4.441 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.099 -4.207 -7.266 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.232 -2.204 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.472 -3.344 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.998 -4.259 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.641 -4.761 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.810 -1.923 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.018 -3.221 -6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.908 -1.691 -7.088 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.380 -1.201 -8.418 1.00 0.00 N ATOM 1460 CA VAL A 92 -7.765 0.071 -8.722 1.00 0.00 C ATOM 1461 C VAL A 92 -8.785 1.047 -9.357 1.00 0.00 C ATOM 1462 O VAL A 92 -8.722 2.242 -9.125 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.529 -0.257 -9.593 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.864 0.966 -10.158 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.341 -0.895 -8.848 1.00 0.00 C ATOM 0 H VAL A 92 -8.115 -1.961 -9.044 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.432 0.608 -7.834 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.982 -0.925 -10.325 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.005 0.668 -10.759 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.573 1.510 -10.783 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.532 1.609 -9.343 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.530 -1.084 -9.551 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.995 -0.217 -8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.657 -1.836 -8.398 1.00 0.00 H new ATOM 1475 N GLN A 93 -9.698 0.460 -10.168 1.00 0.00 N ATOM 1476 CA GLN A 93 -10.764 1.182 -10.878 1.00 0.00 C ATOM 1477 C GLN A 93 -11.702 1.878 -9.909 1.00 0.00 C ATOM 1478 O GLN A 93 -12.008 3.054 -10.044 1.00 0.00 O ATOM 1479 CB GLN A 93 -11.563 0.331 -11.893 1.00 0.00 C ATOM 1480 CG GLN A 93 -12.811 -0.408 -11.387 1.00 0.00 C ATOM 1481 CD GLN A 93 -13.513 -1.103 -12.561 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -14.687 -0.881 -12.820 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -12.719 -1.910 -13.282 1.00 0.00 N ATOM 0 H GLN A 93 -9.708 -0.544 -10.345 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.239 1.929 -11.474 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.870 0.985 -12.709 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.884 -0.410 -12.316 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.529 -1.143 -10.633 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.492 0.295 -10.908 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -11.747 -2.049 -13.006 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -13.088 -2.385 -14.106 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.016 1.110 -8.846 1.00 0.00 N ATOM 1493 CA HIS A 94 -12.957 1.634 -7.866 1.00 0.00 C ATOM 1494 C HIS A 94 -12.265 2.778 -7.117 1.00 0.00 C ATOM 1495 O HIS A 94 -12.816 3.861 -6.950 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.311 0.491 -6.906 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.448 0.907 -6.009 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.326 1.802 -5.007 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.784 0.480 -6.068 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.554 1.919 -4.476 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.456 1.135 -5.093 1.00 0.00 N ATOM 0 H HIS A 94 -11.650 0.177 -8.658 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.868 2.011 -8.330 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.590 -0.398 -7.472 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.441 0.226 -6.305 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.198 -0.237 -6.762 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.791 2.569 -3.647 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.448 1.051 -4.871 1.00 0.00 H new ATOM 1509 N TYR A 95 -10.975 2.497 -6.821 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.151 3.498 -6.169 1.00 0.00 C ATOM 1511 C TYR A 95 -9.797 4.638 -7.170 1.00 0.00 C ATOM 1512 O TYR A 95 -9.284 5.662 -6.737 1.00 0.00 O ATOM 1513 CB TYR A 95 -8.878 2.919 -5.514 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.153 2.110 -4.262 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -9.808 2.674 -3.186 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -8.772 0.790 -4.146 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.135 1.958 -2.052 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.058 0.042 -3.015 1.00 0.00 C ATOM 1519 CZ TYR A 95 -9.737 0.612 -1.931 1.00 0.00 C ATOM 1520 OH TYR A 95 -9.969 -0.201 -0.806 1.00 0.00 O ATOM 0 H TYR A 95 -10.509 1.612 -7.021 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.744 3.906 -5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.362 2.288 -6.238 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.203 3.738 -5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.076 3.719 -3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.235 0.326 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.695 2.429 -1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.754 -0.993 -2.969 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.821 -1.140 -1.045 1.00 0.00 H new ATOM 1530 N SER A 96 -10.099 4.436 -8.506 1.00 0.00 N ATOM 1531 CA SER A 96 -9.783 5.532 -9.447 1.00 0.00 C ATOM 1532 C SER A 96 -10.866 6.629 -9.341 1.00 0.00 C ATOM 1533 O SER A 96 -10.722 7.653 -9.999 1.00 0.00 O ATOM 1534 CB SER A 96 -9.765 5.183 -10.996 1.00 0.00 C ATOM 1535 OG SER A 96 -8.745 4.160 -11.456 1.00 0.00 O ATOM 0 H SER A 96 -10.521 3.599 -8.908 1.00 0.00 H new ATOM 0 HA SER A 96 -8.774 5.812 -9.145 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.756 4.823 -11.274 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.594 6.106 -11.550 1.00 0.00 H new ATOM 0 HG SER A 96 -8.655 3.460 -10.777 1.00 0.00 H new ATOM 1541 N LYS A 97 -11.937 6.402 -8.538 1.00 0.00 N ATOM 1542 CA LYS A 97 -12.881 7.531 -8.471 1.00 0.00 C ATOM 1543 C LYS A 97 -12.864 8.242 -7.145 1.00 0.00 C ATOM 1544 O LYS A 97 -13.156 9.432 -7.107 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.323 6.880 -8.598 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.742 6.335 -9.965 1.00 0.00 C ATOM 1547 CD LYS A 97 -13.890 5.152 -10.396 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.552 4.281 -11.473 1.00 0.00 C ATOM 1549 NZ LYS A 97 -14.490 4.896 -12.792 1.00 0.00 N ATOM 0 H LYS A 97 -12.150 5.564 -7.996 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.618 8.252 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.387 6.064 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.056 7.628 -8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.789 6.033 -9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.664 7.127 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.936 5.520 -10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.672 4.535 -9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.061 3.308 -11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.594 4.104 -11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.949 4.273 -13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.981 5.813 -12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.496 5.042 -13.061 1.00 0.00 H new ATOM 1563 N LYS A 98 -12.543 7.509 -6.082 1.00 0.00 N ATOM 1564 CA LYS A 98 -12.440 8.116 -4.766 1.00 0.00 C ATOM 1565 C LYS A 98 -11.528 7.236 -3.897 1.00 0.00 C ATOM 1566 O LYS A 98 -11.244 6.086 -4.202 1.00 0.00 O ATOM 1567 CB LYS A 98 -13.786 8.527 -4.154 1.00 0.00 C ATOM 1568 CG LYS A 98 -14.430 7.427 -3.335 1.00 0.00 C ATOM 1569 CD LYS A 98 -14.695 6.150 -4.141 1.00 0.00 C ATOM 1570 CE LYS A 98 -15.583 6.398 -5.356 1.00 0.00 C ATOM 1571 NZ LYS A 98 -16.838 7.044 -4.993 1.00 0.00 N ATOM 0 H LYS A 98 -12.353 6.507 -6.108 1.00 0.00 H new ATOM 0 HA LYS A 98 -11.961 9.092 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.638 9.403 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.466 8.822 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.785 7.188 -2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.372 7.792 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.745 5.728 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.167 5.409 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.049 7.021 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.793 5.450 -5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -17.473 7.057 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.288 6.517 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.650 8.020 -4.686 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.112 7.835 -2.770 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.254 7.093 -1.865 1.00 0.00 C ATOM 1587 C GLY A 99 -11.028 5.948 -1.210 1.00 0.00 C ATOM 1588 O GLY A 99 -10.566 4.824 -1.236 1.00 0.00 O ATOM 0 H GLY A 99 -11.347 8.785 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.398 6.696 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.862 7.760 -1.098 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.200 6.277 -0.623 1.00 0.00 N ATOM 1593 CA ASP A 100 -13.052 5.247 0.015 1.00 0.00 C ATOM 1594 C ASP A 100 -12.311 4.411 1.078 1.00 0.00 C ATOM 1595 O ASP A 100 -12.705 3.306 1.419 1.00 0.00 O ATOM 1596 CB ASP A 100 -13.663 4.302 -1.040 1.00 0.00 C ATOM 1597 CG ASP A 100 -15.023 3.700 -0.601 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -15.226 3.440 0.585 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -15.878 3.508 -1.458 1.00 0.00 O ATOM 0 H ASP A 100 -12.572 7.226 -0.577 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.843 5.798 0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.798 4.848 -1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.962 3.492 -1.243 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.196 4.968 1.559 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.426 4.213 2.527 1.00 0.00 C ATOM 1606 C GLY A 101 -8.969 4.619 2.508 1.00 0.00 C ATOM 1607 O GLY A 101 -8.351 4.737 3.563 1.00 0.00 O ATOM 0 H GLY A 101 -10.829 5.886 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.837 4.371 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.512 3.148 2.312 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.477 4.852 1.260 1.00 0.00 N ATOM 1612 CA LEU A 102 -7.060 5.193 1.179 1.00 0.00 C ATOM 1613 C LEU A 102 -6.793 6.706 1.231 1.00 0.00 C ATOM 1614 O LEU A 102 -5.645 7.127 1.199 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.445 4.745 -0.166 1.00 0.00 C ATOM 1616 CG LEU A 102 -6.939 3.395 -0.658 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -6.302 3.036 -1.996 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.607 2.281 0.332 1.00 0.00 C ATOM 0 H LEU A 102 -8.995 4.813 0.382 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.621 4.686 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.666 5.498 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.361 4.707 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.020 3.481 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.672 2.065 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.559 3.794 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.219 2.992 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.975 1.330 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.527 2.224 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.081 2.493 1.290 1.00 0.00 H new ATOM 1630 N CYS A 103 -7.892 7.482 1.377 1.00 0.00 N ATOM 1631 CA CYS A 103 -7.856 8.938 1.428 1.00 0.00 C ATOM 1632 C CYS A 103 -7.150 9.602 0.210 1.00 0.00 C ATOM 1633 O CYS A 103 -7.014 10.818 0.172 1.00 0.00 O ATOM 1634 CB CYS A 103 -7.261 9.415 2.764 1.00 0.00 C ATOM 1635 SG CYS A 103 -5.463 9.590 2.806 1.00 0.00 S ATOM 0 H CYS A 103 -8.833 7.097 1.462 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.892 9.271 1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.707 10.377 3.016 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.557 8.713 3.543 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.918 8.637 2.110 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.741 8.780 -0.785 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.035 9.286 -1.952 1.00 0.00 C ATOM 1643 C GLN A 104 -6.342 8.371 -3.121 1.00 0.00 C ATOM 1644 O GLN A 104 -5.683 7.375 -3.385 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.512 9.241 -1.698 1.00 0.00 C ATOM 1646 CG GLN A 104 -3.921 10.470 -0.979 1.00 0.00 C ATOM 1647 CD GLN A 104 -2.888 10.085 0.072 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -3.000 10.432 1.237 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -1.884 9.351 -0.422 1.00 0.00 N ATOM 0 H GLN A 104 -6.894 7.772 -0.789 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.346 10.310 -2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.286 8.353 -1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.005 9.124 -2.656 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.460 11.130 -1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -4.726 11.032 -0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.870 9.106 -1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -1.132 9.036 0.192 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.377 8.837 -3.821 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.859 8.187 -5.010 1.00 0.00 C ATOM 1660 C LYS A 105 -6.780 8.372 -6.087 1.00 0.00 C ATOM 1661 O LYS A 105 -5.900 9.214 -5.972 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.194 8.794 -5.425 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.187 9.981 -6.378 1.00 0.00 C ATOM 1664 CD LYS A 105 -8.890 11.250 -5.713 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.022 11.879 -4.936 1.00 0.00 C ATOM 1666 NZ LYS A 105 -9.633 12.875 -3.935 1.00 0.00 N ATOM 0 H LYS A 105 -7.896 9.678 -3.568 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.036 7.124 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.789 8.004 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.715 9.100 -4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.449 9.806 -7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.159 10.053 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.054 11.092 -5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.556 11.962 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.705 12.350 -5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.578 11.086 -4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.483 13.242 -3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.008 12.434 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.131 13.658 -4.401 1.00 0.00 H new ATOM 1680 N LEU A 106 -6.946 7.588 -7.146 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.012 7.610 -8.271 1.00 0.00 C ATOM 1682 C LEU A 106 -6.292 8.789 -9.200 1.00 0.00 C ATOM 1683 O LEU A 106 -7.413 8.983 -9.660 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.088 6.306 -9.090 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.240 5.083 -8.186 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.032 3.772 -8.901 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.289 5.132 -7.021 1.00 0.00 C ATOM 0 H LEU A 106 -7.717 6.929 -7.251 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.013 7.712 -7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.931 6.357 -9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.187 6.202 -9.695 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.273 5.127 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.156 2.950 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.763 3.675 -9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.027 3.742 -9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.427 4.246 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.264 5.161 -7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.487 6.024 -6.427 1.00 0.00 H new ATOM 1699 N THR A 107 -5.195 9.543 -9.433 1.00 0.00 N ATOM 1700 CA THR A 107 -5.270 10.715 -10.304 1.00 0.00 C ATOM 1701 C THR A 107 -4.614 10.377 -11.643 1.00 0.00 C ATOM 1702 O THR A 107 -5.285 10.213 -12.656 1.00 0.00 O ATOM 1703 CB THR A 107 -4.707 12.022 -9.669 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.212 12.004 -9.652 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.416 12.149 -8.285 1.00 0.00 C ATOM 0 H THR A 107 -4.273 9.360 -9.037 1.00 0.00 H new ATOM 0 HA THR A 107 -6.323 10.945 -10.463 1.00 0.00 H new ATOM 0 HB THR A 107 -4.923 12.923 -10.244 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.879 12.834 -9.251 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.068 13.049 -7.779 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.494 12.210 -8.433 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.182 11.277 -7.675 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.285 10.240 -11.563 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.478 9.914 -12.722 1.00 0.00 C ATOM 1715 C LEU A 108 -1.418 8.935 -12.256 1.00 0.00 C ATOM 1716 O LEU A 108 -0.723 9.254 -11.310 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.801 11.143 -13.318 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.791 12.099 -14.014 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.781 13.507 -13.416 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -2.534 12.146 -15.523 1.00 0.00 C ATOM 0 H LEU A 108 -2.754 10.352 -10.700 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.116 9.495 -13.500 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.279 11.682 -12.528 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.047 10.823 -14.037 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.788 11.694 -13.839 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.498 14.133 -13.947 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.055 13.457 -12.362 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.784 13.936 -13.512 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.244 12.827 -15.992 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.519 12.497 -15.708 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.656 11.148 -15.944 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.278 7.744 -12.899 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.250 6.780 -12.483 1.00 0.00 C ATOM 1734 C PRO A 109 1.172 7.403 -12.662 1.00 0.00 C ATOM 1735 O PRO A 109 1.313 8.592 -12.921 1.00 0.00 O ATOM 1736 CB PRO A 109 -0.480 5.548 -13.383 1.00 0.00 C ATOM 1737 CG PRO A 109 -1.745 5.812 -14.211 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.133 7.286 -13.975 1.00 0.00 C ATOM 0 HA PRO A 109 -0.316 6.505 -11.430 1.00 0.00 H new ATOM 0 HB2 PRO A 109 0.378 5.384 -14.035 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.598 4.648 -12.779 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.560 5.626 -15.269 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.552 5.146 -13.906 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.982 7.881 -14.876 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.185 7.376 -13.706 1.00 0.00 H new ATOM 1746 N CYS A 110 2.215 6.552 -12.597 1.00 0.00 N ATOM 1747 CA CYS A 110 3.578 7.091 -12.737 1.00 0.00 C ATOM 1748 C CYS A 110 3.857 7.546 -14.192 1.00 0.00 C ATOM 1749 O CYS A 110 3.167 7.166 -15.129 1.00 0.00 O ATOM 1750 CB CYS A 110 4.603 6.044 -12.240 1.00 0.00 C ATOM 1751 SG CYS A 110 5.981 5.647 -13.346 1.00 0.00 S ATOM 0 H CYS A 110 2.148 5.544 -12.456 1.00 0.00 H new ATOM 0 HA CYS A 110 3.677 7.981 -12.116 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.018 6.399 -11.297 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.066 5.121 -12.025 1.00 0.00 H new ATOM 0 HG CYS A 110 6.747 4.759 -12.784 1.00 0.00 H new