USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 740 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 60 ASN : amide:sc= -0.439 K(o=-0.44,f=-2.9) USER MOD Set 1.2: A 102 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 78 MET CE :methyl 169:sc= -5.41! (180deg=-6.28!) USER MOD Set 2.2: A 93 TYR OH : rot -147:sc= 0.389 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.389 K(o=-0.39,f=-1.2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0316 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.15) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 30 ASN : amide:sc= -0.0589 X(o=-0.059,f=-0.04) USER MOD Single : A 33 MET CE :methyl 161:sc= -4.09! (180deg=-5.31!) USER MOD Single : A 34 THR OG1 : rot -85:sc= 1.55 USER MOD Single : A 37 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.3!) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -140:sc= -1.7 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 30:sc= 0.9 USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00374 USER MOD Single : A 59 THR OG1 : rot -63:sc= 0.392 USER MOD Single : A 62 ASN : amide:sc= -2.1 K(o=-2.1,f=-3.2!) USER MOD Single : A 64 GLN : amide:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 35:sc= -0.301 USER MOD Single : A 71 THR OG1 : rot -37:sc= 0.0108 USER MOD Single : A 73 ASN : amide:sc= -0.015 K(o=-0.015,f=-0.94) USER MOD Single : A 74 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.6!) USER MOD Single : A 75 GLN : amide:sc= -0.0055 X(o=-0.0055,f=-0.039) USER MOD Single : A 77 MET CE :methyl 165:sc= -0.144 (180deg=-0.556) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.192 K(o=-0.19,f=-0.75) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.0387 X(o=0.039,f=-0.0011) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.0708 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.307 -3.402 -13.454 1.00 0.00 N ATOM 186 CA LYS A 16 -1.135 -2.246 -13.133 1.00 0.00 C ATOM 187 C LYS A 16 -0.273 -1.017 -12.863 1.00 0.00 C ATOM 188 O LYS A 16 0.822 -1.125 -12.311 1.00 0.00 O ATOM 189 CB LYS A 16 -2.013 -2.543 -11.915 1.00 0.00 C ATOM 190 CG LYS A 16 -2.879 -3.781 -12.076 1.00 0.00 C ATOM 191 CD LYS A 16 -4.070 -3.513 -12.980 1.00 0.00 C ATOM 192 CE LYS A 16 -4.818 -4.796 -13.311 1.00 0.00 C ATOM 193 NZ LYS A 16 -5.502 -5.363 -12.116 1.00 0.00 N ATOM 0 HA LYS A 16 -1.774 -2.039 -13.992 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.375 -2.667 -11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.655 -1.683 -11.722 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.282 -4.593 -12.491 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.230 -4.111 -11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.747 -2.811 -12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.730 -3.041 -13.902 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.554 -4.597 -14.090 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.120 -5.530 -13.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.000 -6.236 -12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.797 -5.577 -11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.187 -4.672 -11.748 1.00 0.00 H new ATOM 207 N ILE A 17 -0.774 0.149 -13.256 1.00 0.00 N ATOM 208 CA ILE A 17 -0.050 1.398 -13.054 1.00 0.00 C ATOM 209 C ILE A 17 0.025 1.757 -11.573 1.00 0.00 C ATOM 210 O ILE A 17 1.002 2.351 -11.117 1.00 0.00 O ATOM 211 CB ILE A 17 -0.709 2.561 -13.819 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.211 3.783 -13.823 1.00 0.00 C ATOM 213 CG2 ILE A 17 -2.055 2.907 -13.201 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.026 4.675 -15.031 1.00 0.00 C ATOM 0 H ILE A 17 -1.678 0.255 -13.716 1.00 0.00 H new ATOM 0 HA ILE A 17 0.958 1.244 -13.440 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.874 2.250 -14.851 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.031 4.366 -12.920 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.247 3.448 -13.784 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.508 3.731 -13.753 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.710 2.037 -13.245 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.913 3.202 -12.161 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.710 5.521 -14.967 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.235 4.107 -15.938 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.001 5.040 -15.060 1.00 0.00 H new ATOM 226 N TRP A 18 -1.011 1.390 -10.828 1.00 0.00 N ATOM 227 CA TRP A 18 -1.062 1.672 -9.398 1.00 0.00 C ATOM 228 C TRP A 18 -0.324 0.599 -8.606 1.00 0.00 C ATOM 229 O TRP A 18 -0.047 0.770 -7.418 1.00 0.00 O ATOM 230 CB TRP A 18 -2.514 1.763 -8.927 1.00 0.00 C ATOM 231 CG TRP A 18 -3.382 0.664 -9.461 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.274 0.752 -10.491 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.442 -0.686 -8.989 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.885 -0.463 -10.689 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.392 -1.362 -9.781 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.786 -1.391 -7.977 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.699 -2.707 -9.589 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.092 -2.725 -7.788 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.040 -3.372 -8.591 1.00 0.00 C ATOM 0 H TRP A 18 -1.827 0.897 -11.190 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.570 2.629 -9.223 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.537 1.738 -7.838 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.928 2.724 -9.232 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.471 1.645 -11.066 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.591 -0.663 -11.397 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.052 -0.902 -7.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.431 -3.207 -10.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.591 -3.279 -7.007 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.255 -4.416 -8.419 1.00 0.00 H new ATOM 250 N PHE A 19 -0.008 -0.509 -9.269 1.00 0.00 N ATOM 251 CA PHE A 19 0.698 -1.610 -8.625 1.00 0.00 C ATOM 252 C PHE A 19 2.209 -1.431 -8.743 1.00 0.00 C ATOM 253 O PHE A 19 2.712 -0.958 -9.762 1.00 0.00 O ATOM 254 CB PHE A 19 0.282 -2.944 -9.249 1.00 0.00 C ATOM 255 CG PHE A 19 1.021 -4.125 -8.687 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.995 -4.393 -7.328 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.742 -4.967 -9.518 1.00 0.00 C ATOM 258 CE1 PHE A 19 1.675 -5.478 -6.808 1.00 0.00 C ATOM 259 CE2 PHE A 19 2.423 -6.055 -9.004 1.00 0.00 C ATOM 260 CZ PHE A 19 2.389 -6.311 -7.648 1.00 0.00 C ATOM 0 H PHE A 19 -0.230 -0.668 -10.252 1.00 0.00 H new ATOM 0 HA PHE A 19 0.431 -1.611 -7.568 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.788 -3.089 -9.097 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.448 -2.900 -10.325 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.437 -3.746 -6.667 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.772 -4.771 -10.580 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.648 -5.675 -5.746 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.981 -6.704 -9.663 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.919 -7.161 -7.244 1.00 0.00 H new ATOM 270 N HIS A 20 2.928 -1.811 -7.691 1.00 0.00 N ATOM 271 CA HIS A 20 4.381 -1.692 -7.675 1.00 0.00 C ATOM 272 C HIS A 20 5.024 -2.962 -7.125 1.00 0.00 C ATOM 273 O HIS A 20 4.835 -3.311 -5.961 1.00 0.00 O ATOM 274 CB HIS A 20 4.807 -0.487 -6.836 1.00 0.00 C ATOM 275 CG HIS A 20 4.748 0.811 -7.581 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.814 1.319 -8.293 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.743 1.706 -7.722 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.467 2.471 -8.839 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.215 2.728 -8.509 1.00 0.00 N ATOM 0 H HIS A 20 2.528 -2.204 -6.839 1.00 0.00 H new ATOM 0 HA HIS A 20 4.720 -1.548 -8.701 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.166 -0.422 -5.957 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.824 -0.645 -6.478 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.754 1.631 -7.295 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.100 3.096 -9.451 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.684 3.552 -8.792 1.00 0.00 H new ATOM 287 N GLY A 21 5.785 -3.649 -7.972 1.00 0.00 N ATOM 288 CA GLY A 21 6.443 -4.873 -7.552 1.00 0.00 C ATOM 289 C GLY A 21 7.921 -4.880 -7.887 1.00 0.00 C ATOM 290 O GLY A 21 8.697 -5.631 -7.294 1.00 0.00 O ATOM 0 H GLY A 21 5.957 -3.380 -8.941 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.317 -4.999 -6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.961 -5.724 -8.032 1.00 0.00 H new ATOM 294 N LYS A 22 8.314 -4.044 -8.842 1.00 0.00 N ATOM 295 CA LYS A 22 9.709 -3.956 -9.256 1.00 0.00 C ATOM 296 C LYS A 22 10.521 -3.130 -8.264 1.00 0.00 C ATOM 297 O LYS A 22 11.644 -3.494 -7.912 1.00 0.00 O ATOM 298 CB LYS A 22 9.810 -3.338 -10.653 1.00 0.00 C ATOM 299 CG LYS A 22 9.639 -4.345 -11.777 1.00 0.00 C ATOM 300 CD LYS A 22 10.304 -3.869 -13.058 1.00 0.00 C ATOM 301 CE LYS A 22 10.496 -5.011 -14.044 1.00 0.00 C ATOM 302 NZ LYS A 22 9.226 -5.366 -14.736 1.00 0.00 N ATOM 0 H LYS A 22 7.685 -3.417 -9.344 1.00 0.00 H new ATOM 0 HA LYS A 22 10.118 -4.966 -9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.052 -2.562 -10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.780 -2.851 -10.757 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.067 -5.302 -11.478 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.577 -4.513 -11.958 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.696 -3.089 -13.517 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.271 -3.423 -12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.246 -4.730 -14.783 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.879 -5.885 -13.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.399 -6.148 -15.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.518 -5.658 -14.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.873 -4.540 -15.260 1.00 0.00 H new ATOM 316 N ILE A 23 9.946 -2.020 -7.815 1.00 0.00 N ATOM 317 CA ILE A 23 10.615 -1.145 -6.861 1.00 0.00 C ATOM 318 C ILE A 23 10.794 -1.836 -5.513 1.00 0.00 C ATOM 319 O ILE A 23 10.477 -3.015 -5.362 1.00 0.00 O ATOM 320 CB ILE A 23 9.833 0.165 -6.654 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.496 -0.117 -5.965 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.612 0.867 -7.986 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.811 1.127 -5.444 1.00 0.00 C ATOM 0 H ILE A 23 9.018 -1.705 -8.097 1.00 0.00 H new ATOM 0 HA ILE A 23 11.594 -0.912 -7.280 1.00 0.00 H new ATOM 0 HB ILE A 23 10.419 0.823 -6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.833 -0.620 -6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.662 -0.805 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.058 1.791 -7.823 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.576 1.097 -8.440 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.044 0.216 -8.651 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.870 0.852 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.455 1.619 -4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.614 1.808 -6.272 1.00 0.00 H new ATOM 335 N SER A 24 11.304 -1.092 -4.536 1.00 0.00 N ATOM 336 CA SER A 24 11.527 -1.633 -3.201 1.00 0.00 C ATOM 337 C SER A 24 10.846 -0.769 -2.144 1.00 0.00 C ATOM 338 O SER A 24 10.307 0.295 -2.448 1.00 0.00 O ATOM 339 CB SER A 24 13.026 -1.728 -2.910 1.00 0.00 C ATOM 340 OG SER A 24 13.275 -2.539 -1.774 1.00 0.00 O ATOM 0 H SER A 24 11.570 -0.113 -4.645 1.00 0.00 H new ATOM 0 HA SER A 24 11.093 -2.632 -3.164 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.542 -2.142 -3.776 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.431 -0.730 -2.744 1.00 0.00 H new ATOM 0 HG SER A 24 14.240 -2.585 -1.610 1.00 0.00 H new ATOM 346 N LYS A 25 10.875 -1.235 -0.900 1.00 0.00 N ATOM 347 CA LYS A 25 10.263 -0.506 0.205 1.00 0.00 C ATOM 348 C LYS A 25 10.777 0.928 0.263 1.00 0.00 C ATOM 349 O LYS A 25 9.996 1.879 0.238 1.00 0.00 O ATOM 350 CB LYS A 25 10.548 -1.215 1.531 1.00 0.00 C ATOM 351 CG LYS A 25 9.903 -0.543 2.731 1.00 0.00 C ATOM 352 CD LYS A 25 9.984 -1.418 3.970 1.00 0.00 C ATOM 353 CE LYS A 25 8.842 -2.421 4.020 1.00 0.00 C ATOM 354 NZ LYS A 25 8.710 -3.045 5.366 1.00 0.00 N ATOM 0 H LYS A 25 11.316 -2.115 -0.632 1.00 0.00 H new ATOM 0 HA LYS A 25 9.186 -0.480 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.193 -2.244 1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.626 -1.259 1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.396 0.410 2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.859 -0.322 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.936 -1.948 3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.958 -0.791 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.909 -1.922 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.008 -3.198 3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.921 -3.722 5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.591 -3.543 5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.526 -2.306 6.075 1.00 0.00 H new ATOM 368 N GLN A 26 12.096 1.076 0.337 1.00 0.00 N ATOM 369 CA GLN A 26 12.714 2.396 0.397 1.00 0.00 C ATOM 370 C GLN A 26 12.288 3.251 -0.792 1.00 0.00 C ATOM 371 O GLN A 26 11.714 4.325 -0.620 1.00 0.00 O ATOM 372 CB GLN A 26 14.238 2.267 0.428 1.00 0.00 C ATOM 373 CG GLN A 26 14.785 1.838 1.780 1.00 0.00 C ATOM 374 CD GLN A 26 14.520 2.860 2.868 1.00 0.00 C ATOM 375 OE1 GLN A 26 15.281 3.813 3.039 1.00 0.00 O ATOM 376 NE2 GLN A 26 13.437 2.667 3.611 1.00 0.00 N ATOM 0 H GLN A 26 12.757 0.299 0.357 1.00 0.00 H new ATOM 0 HA GLN A 26 12.379 2.886 1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.548 1.544 -0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.681 3.224 0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.336 0.886 2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.859 1.672 1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.834 1.864 3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.208 3.322 4.358 1.00 0.00 H new ATOM 385 N GLU A 27 12.574 2.766 -1.996 1.00 0.00 N ATOM 386 CA GLU A 27 12.221 3.488 -3.213 1.00 0.00 C ATOM 387 C GLU A 27 10.769 3.956 -3.166 1.00 0.00 C ATOM 388 O GLU A 27 10.467 5.106 -3.483 1.00 0.00 O ATOM 389 CB GLU A 27 12.443 2.601 -4.440 1.00 0.00 C ATOM 390 CG GLU A 27 13.838 2.719 -5.031 1.00 0.00 C ATOM 391 CD GLU A 27 13.868 2.423 -6.518 1.00 0.00 C ATOM 392 OE1 GLU A 27 13.045 1.606 -6.978 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.717 3.011 -7.222 1.00 0.00 O ATOM 0 H GLU A 27 13.049 1.877 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 27 12.865 4.365 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.261 1.562 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.710 2.862 -5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.218 3.725 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.507 2.031 -4.514 1.00 0.00 H new ATOM 400 N ALA A 28 9.876 3.056 -2.768 1.00 0.00 N ATOM 401 CA ALA A 28 8.457 3.376 -2.678 1.00 0.00 C ATOM 402 C ALA A 28 8.236 4.687 -1.930 1.00 0.00 C ATOM 403 O ALA A 28 7.334 5.457 -2.260 1.00 0.00 O ATOM 404 CB ALA A 28 7.703 2.244 -1.996 1.00 0.00 C ATOM 0 H ALA A 28 10.110 2.099 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 28 8.072 3.496 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.644 2.497 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.825 1.327 -2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.099 2.097 -0.991 1.00 0.00 H new ATOM 410 N TYR A 29 9.066 4.935 -0.923 1.00 0.00 N ATOM 411 CA TYR A 29 8.959 6.151 -0.126 1.00 0.00 C ATOM 412 C TYR A 29 9.402 7.370 -0.931 1.00 0.00 C ATOM 413 O TYR A 29 8.696 8.375 -0.995 1.00 0.00 O ATOM 414 CB TYR A 29 9.803 6.030 1.144 1.00 0.00 C ATOM 415 CG TYR A 29 9.178 5.152 2.205 1.00 0.00 C ATOM 416 CD1 TYR A 29 8.175 5.639 3.034 1.00 0.00 C ATOM 417 CD2 TYR A 29 9.592 3.838 2.379 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.601 4.841 4.005 1.00 0.00 C ATOM 419 CE2 TYR A 29 9.023 3.032 3.346 1.00 0.00 C ATOM 420 CZ TYR A 29 8.029 3.538 4.157 1.00 0.00 C ATOM 421 OH TYR A 29 7.460 2.740 5.123 1.00 0.00 O ATOM 0 H TYR A 29 9.820 4.310 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 29 7.913 6.282 0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.782 5.629 0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.967 7.025 1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.838 6.659 2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.372 3.439 1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.822 5.235 4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.355 2.011 3.466 1.00 0.00 H new ATOM 0 HH TYR A 29 7.873 1.851 5.098 1.00 0.00 H new ATOM 431 N ASN A 30 10.578 7.271 -1.543 1.00 0.00 N ATOM 432 CA ASN A 30 11.117 8.364 -2.344 1.00 0.00 C ATOM 433 C ASN A 30 10.230 8.640 -3.554 1.00 0.00 C ATOM 434 O ASN A 30 10.171 9.765 -4.051 1.00 0.00 O ATOM 435 CB ASN A 30 12.538 8.034 -2.804 1.00 0.00 C ATOM 436 CG ASN A 30 12.949 8.830 -4.028 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.354 9.987 -3.922 1.00 0.00 O ATOM 438 ND2 ASN A 30 12.847 8.210 -5.198 1.00 0.00 N ATOM 0 H ASN A 30 11.175 6.445 -1.499 1.00 0.00 H new ATOM 0 HA ASN A 30 11.142 9.259 -1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.236 8.236 -1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.607 6.969 -3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.110 8.694 -6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.506 7.250 -5.238 1.00 0.00 H new ATOM 445 N LEU A 31 9.541 7.606 -4.025 1.00 0.00 N ATOM 446 CA LEU A 31 8.656 7.736 -5.177 1.00 0.00 C ATOM 447 C LEU A 31 7.474 8.644 -4.855 1.00 0.00 C ATOM 448 O LEU A 31 7.197 9.601 -5.580 1.00 0.00 O ATOM 449 CB LEU A 31 8.152 6.360 -5.616 1.00 0.00 C ATOM 450 CG LEU A 31 9.181 5.453 -6.293 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.690 4.014 -6.317 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.474 5.942 -7.704 1.00 0.00 C ATOM 0 H LEU A 31 9.578 6.668 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 31 9.224 8.185 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.761 5.842 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.316 6.503 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 31 10.106 5.490 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.435 3.383 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.530 3.667 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.752 3.959 -6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.208 5.286 -8.171 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.555 5.934 -8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.869 6.957 -7.663 1.00 0.00 H new ATOM 464 N LEU A 32 6.781 8.340 -3.764 1.00 0.00 N ATOM 465 CA LEU A 32 5.629 9.131 -3.344 1.00 0.00 C ATOM 466 C LEU A 32 6.064 10.504 -2.843 1.00 0.00 C ATOM 467 O LEU A 32 5.233 11.376 -2.593 1.00 0.00 O ATOM 468 CB LEU A 32 4.855 8.397 -2.247 1.00 0.00 C ATOM 469 CG LEU A 32 3.814 7.383 -2.723 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.424 6.446 -1.591 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.587 8.096 -3.274 1.00 0.00 C ATOM 0 H LEU A 32 6.996 7.552 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 32 4.980 9.270 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.571 7.880 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.353 9.139 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 32 4.254 6.789 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.682 5.732 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.306 5.909 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.003 7.024 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.857 7.359 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.146 8.716 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.879 8.725 -4.115 1.00 0.00 H new ATOM 483 N MET A 33 7.372 10.689 -2.702 1.00 0.00 N ATOM 484 CA MET A 33 7.918 11.958 -2.235 1.00 0.00 C ATOM 485 C MET A 33 8.356 12.827 -3.409 1.00 0.00 C ATOM 486 O MET A 33 8.425 14.052 -3.298 1.00 0.00 O ATOM 487 CB MET A 33 9.101 11.715 -1.296 1.00 0.00 C ATOM 488 CG MET A 33 8.700 11.572 0.163 1.00 0.00 C ATOM 489 SD MET A 33 8.697 13.147 1.040 1.00 0.00 S ATOM 490 CE MET A 33 7.687 14.142 -0.055 1.00 0.00 C ATOM 0 H MET A 33 8.074 9.977 -2.904 1.00 0.00 H new ATOM 0 HA MET A 33 7.133 12.483 -1.690 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.624 10.812 -1.611 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.805 12.541 -1.391 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.707 11.127 0.221 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.387 10.886 0.659 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.312 15.011 0.486 1.00 0.00 H new ATOM 0 HE2 MET A 33 8.287 14.473 -0.903 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.847 13.548 -0.415 1.00 0.00 H new ATOM 500 N THR A 34 8.653 12.186 -4.536 1.00 0.00 N ATOM 501 CA THR A 34 9.086 12.900 -5.730 1.00 0.00 C ATOM 502 C THR A 34 8.076 12.743 -6.861 1.00 0.00 C ATOM 503 O THR A 34 7.324 13.668 -7.169 1.00 0.00 O ATOM 504 CB THR A 34 10.462 12.404 -6.213 1.00 0.00 C ATOM 505 OG1 THR A 34 10.431 10.985 -6.407 1.00 0.00 O ATOM 506 CG2 THR A 34 11.548 12.760 -5.210 1.00 0.00 C ATOM 0 H THR A 34 8.601 11.173 -4.646 1.00 0.00 H new ATOM 0 HA THR A 34 9.162 13.953 -5.458 1.00 0.00 H new ATOM 0 HB THR A 34 10.689 12.895 -7.159 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.609 10.534 -5.555 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.511 12.400 -5.573 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.589 13.842 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.324 12.294 -4.251 1.00 0.00 H new ATOM 514 N VAL A 35 8.063 11.565 -7.477 1.00 0.00 N ATOM 515 CA VAL A 35 7.143 11.286 -8.574 1.00 0.00 C ATOM 516 C VAL A 35 5.693 11.352 -8.105 1.00 0.00 C ATOM 517 O VAL A 35 4.778 11.527 -8.908 1.00 0.00 O ATOM 518 CB VAL A 35 7.409 9.900 -9.191 1.00 0.00 C ATOM 519 CG1 VAL A 35 8.853 9.791 -9.655 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.076 8.801 -8.193 1.00 0.00 C ATOM 0 H VAL A 35 8.679 10.789 -7.235 1.00 0.00 H new ATOM 0 HA VAL A 35 7.312 12.051 -9.332 1.00 0.00 H new ATOM 0 HB VAL A 35 6.763 9.778 -10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.023 8.805 -10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.053 10.556 -10.405 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.520 9.933 -8.805 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.270 7.828 -8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.695 8.918 -7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.024 8.869 -7.915 1.00 0.00 H new ATOM 530 N GLY A 36 5.492 11.212 -6.798 1.00 0.00 N ATOM 531 CA GLY A 36 4.152 11.259 -6.245 1.00 0.00 C ATOM 532 C GLY A 36 3.710 12.671 -5.914 1.00 0.00 C ATOM 533 O GLY A 36 4.271 13.639 -6.427 1.00 0.00 O ATOM 0 H GLY A 36 6.234 11.067 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.453 10.820 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.113 10.649 -5.343 1.00 0.00 H new ATOM 537 N GLN A 37 2.703 12.789 -5.055 1.00 0.00 N ATOM 538 CA GLN A 37 2.185 14.093 -4.659 1.00 0.00 C ATOM 539 C GLN A 37 1.412 13.996 -3.348 1.00 0.00 C ATOM 540 O GLN A 37 1.277 12.916 -2.773 1.00 0.00 O ATOM 541 CB GLN A 37 1.284 14.663 -5.755 1.00 0.00 C ATOM 542 CG GLN A 37 1.284 16.181 -5.815 1.00 0.00 C ATOM 543 CD GLN A 37 1.000 16.711 -7.206 1.00 0.00 C ATOM 544 OE1 GLN A 37 0.914 15.947 -8.168 1.00 0.00 O ATOM 545 NE2 GLN A 37 0.852 18.026 -7.321 1.00 0.00 N ATOM 0 H GLN A 37 2.230 11.997 -4.620 1.00 0.00 H new ATOM 0 HA GLN A 37 3.032 14.762 -4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.606 14.270 -6.719 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.264 14.314 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.536 16.568 -5.123 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.252 16.554 -5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.931 18.622 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.659 18.440 -8.233 1.00 0.00 H new ATOM 554 N VAL A 38 0.905 15.133 -2.880 1.00 0.00 N ATOM 555 CA VAL A 38 0.144 15.176 -1.637 1.00 0.00 C ATOM 556 C VAL A 38 -1.168 14.412 -1.769 1.00 0.00 C ATOM 557 O VAL A 38 -1.883 14.211 -0.787 1.00 0.00 O ATOM 558 CB VAL A 38 -0.159 16.626 -1.215 1.00 0.00 C ATOM 559 CG1 VAL A 38 -0.984 16.649 0.063 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.132 17.411 -1.041 1.00 0.00 C ATOM 0 H VAL A 38 1.008 16.036 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 38 0.760 14.704 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.742 17.101 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.188 17.682 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.925 16.125 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.430 16.157 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.899 18.433 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.744 16.939 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.680 17.424 -1.983 1.00 0.00 H new ATOM 570 N CYS A 39 -1.478 13.987 -2.989 1.00 0.00 N ATOM 571 CA CYS A 39 -2.706 13.244 -3.250 1.00 0.00 C ATOM 572 C CYS A 39 -2.432 12.037 -4.142 1.00 0.00 C ATOM 573 O CYS A 39 -3.253 11.677 -4.986 1.00 0.00 O ATOM 574 CB CYS A 39 -3.747 14.152 -3.906 1.00 0.00 C ATOM 575 SG CYS A 39 -4.388 15.446 -2.818 1.00 0.00 S ATOM 0 H CYS A 39 -0.897 14.144 -3.812 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.095 12.888 -2.296 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.304 14.619 -4.786 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.579 13.540 -4.255 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.260 16.163 -3.463 1.00 0.00 H new ATOM 581 N SER A 40 -1.271 11.418 -3.951 1.00 0.00 N ATOM 582 CA SER A 40 -0.886 10.255 -4.742 1.00 0.00 C ATOM 583 C SER A 40 -0.856 8.997 -3.880 1.00 0.00 C ATOM 584 O SER A 40 -0.465 9.039 -2.713 1.00 0.00 O ATOM 585 CB SER A 40 0.485 10.480 -5.384 1.00 0.00 C ATOM 586 OG SER A 40 0.567 11.766 -5.973 1.00 0.00 O ATOM 0 H SER A 40 -0.581 11.702 -3.256 1.00 0.00 H new ATOM 0 HA SER A 40 -1.629 10.118 -5.527 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.265 10.371 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.665 9.717 -6.142 1.00 0.00 H new ATOM 0 HG SER A 40 1.048 11.706 -6.825 1.00 0.00 H new ATOM 592 N PHE A 41 -1.274 7.878 -4.463 1.00 0.00 N ATOM 593 CA PHE A 41 -1.297 6.607 -3.749 1.00 0.00 C ATOM 594 C PHE A 41 -0.800 5.473 -4.641 1.00 0.00 C ATOM 595 O PHE A 41 -0.652 5.640 -5.853 1.00 0.00 O ATOM 596 CB PHE A 41 -2.712 6.300 -3.256 1.00 0.00 C ATOM 597 CG PHE A 41 -3.569 5.615 -4.282 1.00 0.00 C ATOM 598 CD1 PHE A 41 -4.103 6.327 -5.344 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.840 4.260 -4.184 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.892 5.699 -6.289 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.629 3.627 -5.127 1.00 0.00 C ATOM 602 CZ PHE A 41 -5.155 4.347 -6.181 1.00 0.00 C ATOM 0 H PHE A 41 -1.601 7.826 -5.428 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.631 6.689 -2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.650 5.671 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.193 7.231 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.900 7.384 -5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.431 3.692 -3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.303 6.265 -7.112 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.834 2.570 -5.039 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.771 3.855 -6.919 1.00 0.00 H new ATOM 612 N LEU A 42 -0.543 4.320 -4.034 1.00 0.00 N ATOM 613 CA LEU A 42 -0.062 3.157 -4.771 1.00 0.00 C ATOM 614 C LEU A 42 -0.190 1.889 -3.933 1.00 0.00 C ATOM 615 O LEU A 42 -0.201 1.944 -2.703 1.00 0.00 O ATOM 616 CB LEU A 42 1.395 3.361 -5.190 1.00 0.00 C ATOM 617 CG LEU A 42 2.396 3.579 -4.054 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.907 2.247 -3.529 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.552 4.450 -4.522 1.00 0.00 C ATOM 0 H LEU A 42 -0.660 4.165 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.678 3.043 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.712 2.491 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.443 4.220 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 42 1.886 4.094 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.618 2.423 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.070 1.658 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.400 1.703 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.254 4.595 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.061 3.963 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.170 5.418 -4.847 1.00 0.00 H new ATOM 631 N VAL A 43 -0.283 0.747 -4.607 1.00 0.00 N ATOM 632 CA VAL A 43 -0.407 -0.535 -3.925 1.00 0.00 C ATOM 633 C VAL A 43 0.905 -1.312 -3.973 1.00 0.00 C ATOM 634 O VAL A 43 1.544 -1.406 -5.021 1.00 0.00 O ATOM 635 CB VAL A 43 -1.523 -1.396 -4.545 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.569 -2.767 -3.887 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.867 -0.692 -4.424 1.00 0.00 C ATOM 0 H VAL A 43 -0.275 0.684 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.660 -0.318 -2.887 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.305 -1.536 -5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.364 -3.361 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.613 -3.271 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.763 -2.652 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.645 -1.314 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.095 -0.521 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.825 0.264 -4.946 1.00 0.00 H new ATOM 647 N ARG A 44 1.299 -1.868 -2.832 1.00 0.00 N ATOM 648 CA ARG A 44 2.535 -2.636 -2.744 1.00 0.00 C ATOM 649 C ARG A 44 2.371 -3.823 -1.799 1.00 0.00 C ATOM 650 O ARG A 44 1.741 -3.727 -0.745 1.00 0.00 O ATOM 651 CB ARG A 44 3.682 -1.744 -2.265 1.00 0.00 C ATOM 652 CG ARG A 44 4.727 -2.483 -1.445 1.00 0.00 C ATOM 653 CD ARG A 44 6.106 -1.865 -1.611 1.00 0.00 C ATOM 654 NE ARG A 44 6.185 -0.534 -1.014 1.00 0.00 N ATOM 655 CZ ARG A 44 6.446 -0.319 0.270 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.652 -1.342 1.088 1.00 0.00 N ATOM 657 NH2 ARG A 44 6.501 0.921 0.739 1.00 0.00 N ATOM 0 H ARG A 44 0.780 -1.801 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 44 2.770 -3.015 -3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.165 -1.292 -3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.272 -0.930 -1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.444 -2.466 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.757 -3.529 -1.750 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.852 -2.513 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.350 -1.802 -2.672 1.00 0.00 H new ATOM 0 HE ARG A 44 6.031 0.274 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.610 -2.297 0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.852 -1.174 2.074 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.343 1.711 0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.702 1.085 1.726 1.00 0.00 H new ATOM 671 N PRO A 45 2.950 -4.970 -2.183 1.00 0.00 N ATOM 672 CA PRO A 45 2.882 -6.198 -1.385 1.00 0.00 C ATOM 673 C PRO A 45 3.700 -6.101 -0.102 1.00 0.00 C ATOM 674 O PRO A 45 4.905 -5.855 -0.140 1.00 0.00 O ATOM 675 CB PRO A 45 3.471 -7.260 -2.316 1.00 0.00 C ATOM 676 CG PRO A 45 4.362 -6.502 -3.239 1.00 0.00 C ATOM 677 CD PRO A 45 3.716 -5.157 -3.427 1.00 0.00 C ATOM 0 HA PRO A 45 1.865 -6.416 -1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.028 -8.012 -1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.688 -7.785 -2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.362 -6.399 -2.819 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.468 -7.020 -4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.458 -4.370 -3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.069 -5.141 -4.304 1.00 0.00 H new ATOM 685 N SER A 46 3.037 -6.296 1.033 1.00 0.00 N ATOM 686 CA SER A 46 3.702 -6.227 2.329 1.00 0.00 C ATOM 687 C SER A 46 4.864 -7.214 2.396 1.00 0.00 C ATOM 688 O SER A 46 4.815 -8.289 1.798 1.00 0.00 O ATOM 689 CB SER A 46 2.707 -6.517 3.454 1.00 0.00 C ATOM 690 OG SER A 46 3.142 -5.951 4.678 1.00 0.00 O ATOM 0 H SER A 46 2.039 -6.503 1.082 1.00 0.00 H new ATOM 0 HA SER A 46 4.096 -5.218 2.454 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.729 -6.115 3.191 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.588 -7.594 3.570 1.00 0.00 H new ATOM 0 HG SER A 46 2.488 -6.149 5.381 1.00 0.00 H new ATOM 757 N ASP A 52 -0.254 -10.637 2.334 1.00 0.00 N ATOM 758 CA ASP A 52 -1.111 -9.469 2.501 1.00 0.00 C ATOM 759 C ASP A 52 -0.574 -8.283 1.706 1.00 0.00 C ATOM 760 O ASP A 52 0.524 -8.341 1.150 1.00 0.00 O ATOM 761 CB ASP A 52 -1.222 -9.099 3.981 1.00 0.00 C ATOM 762 CG ASP A 52 -2.234 -9.953 4.717 1.00 0.00 C ATOM 763 OD1 ASP A 52 -2.024 -11.181 4.801 1.00 0.00 O ATOM 764 OD2 ASP A 52 -3.237 -9.395 5.209 1.00 0.00 O ATOM 0 HA ASP A 52 -2.102 -9.719 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.246 -9.209 4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.503 -8.050 4.070 1.00 0.00 H new ATOM 769 N TYR A 53 -1.354 -7.210 1.654 1.00 0.00 N ATOM 770 CA TYR A 53 -0.959 -6.011 0.924 1.00 0.00 C ATOM 771 C TYR A 53 -1.024 -4.780 1.822 1.00 0.00 C ATOM 772 O TYR A 53 -1.436 -4.862 2.979 1.00 0.00 O ATOM 773 CB TYR A 53 -1.858 -5.813 -0.297 1.00 0.00 C ATOM 774 CG TYR A 53 -1.585 -6.794 -1.416 1.00 0.00 C ATOM 775 CD1 TYR A 53 -2.251 -8.012 -1.476 1.00 0.00 C ATOM 776 CD2 TYR A 53 -0.662 -6.501 -2.412 1.00 0.00 C ATOM 777 CE1 TYR A 53 -2.004 -8.911 -2.495 1.00 0.00 C ATOM 778 CE2 TYR A 53 -0.410 -7.394 -3.436 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.083 -8.597 -3.473 1.00 0.00 C ATOM 780 OH TYR A 53 -0.835 -9.490 -4.491 1.00 0.00 O ATOM 0 H TYR A 53 -2.265 -7.145 2.109 1.00 0.00 H new ATOM 0 HA TYR A 53 0.071 -6.142 0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.900 -5.906 0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.726 -4.799 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.974 -8.260 -0.713 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.133 -5.560 -2.386 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.529 -9.854 -2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.310 -7.151 -4.203 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.162 -9.116 -5.097 1.00 0.00 H new ATOM 790 N SER A 54 -0.613 -3.638 1.280 1.00 0.00 N ATOM 791 CA SER A 54 -0.621 -2.388 2.032 1.00 0.00 C ATOM 792 C SER A 54 -0.574 -1.188 1.092 1.00 0.00 C ATOM 793 O SER A 54 0.273 -1.115 0.200 1.00 0.00 O ATOM 794 CB SER A 54 0.566 -2.341 2.997 1.00 0.00 C ATOM 795 OG SER A 54 0.273 -3.031 4.199 1.00 0.00 O ATOM 0 H SER A 54 -0.270 -3.552 0.323 1.00 0.00 H new ATOM 0 HA SER A 54 -1.548 -2.343 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.442 -2.785 2.523 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.816 -1.304 3.221 1.00 0.00 H new ATOM 0 HG SER A 54 -0.362 -3.754 4.015 1.00 0.00 H new ATOM 801 N LEU A 55 -1.490 -0.248 1.296 1.00 0.00 N ATOM 802 CA LEU A 55 -1.555 0.951 0.467 1.00 0.00 C ATOM 803 C LEU A 55 -0.635 2.039 1.011 1.00 0.00 C ATOM 804 O LEU A 55 -0.364 2.094 2.211 1.00 0.00 O ATOM 805 CB LEU A 55 -2.992 1.469 0.398 1.00 0.00 C ATOM 806 CG LEU A 55 -3.302 2.439 -0.743 1.00 0.00 C ATOM 807 CD1 LEU A 55 -3.765 1.681 -1.977 1.00 0.00 C ATOM 808 CD2 LEU A 55 -4.352 3.453 -0.312 1.00 0.00 C ATOM 0 H LEU A 55 -2.198 -0.293 2.029 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.222 0.688 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.662 0.613 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.225 1.963 1.341 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.388 2.978 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.981 2.388 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.981 0.996 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.666 1.115 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.560 4.135 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.268 2.932 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.982 4.019 0.542 1.00 0.00 H new ATOM 820 N TYR A 56 -0.161 2.904 0.122 1.00 0.00 N ATOM 821 CA TYR A 56 0.729 3.992 0.513 1.00 0.00 C ATOM 822 C TYR A 56 0.232 5.325 -0.037 1.00 0.00 C ATOM 823 O TYR A 56 0.322 5.588 -1.237 1.00 0.00 O ATOM 824 CB TYR A 56 2.149 3.720 0.016 1.00 0.00 C ATOM 825 CG TYR A 56 2.896 2.698 0.844 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.479 1.373 0.889 1.00 0.00 C ATOM 827 CD2 TYR A 56 4.015 3.058 1.584 1.00 0.00 C ATOM 828 CE1 TYR A 56 3.157 0.437 1.645 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.700 2.128 2.341 1.00 0.00 C ATOM 830 CZ TYR A 56 4.267 0.819 2.369 1.00 0.00 C ATOM 831 OH TYR A 56 4.946 -0.110 3.124 1.00 0.00 O ATOM 0 H TYR A 56 -0.378 2.874 -0.874 1.00 0.00 H new ATOM 0 HA TYR A 56 0.737 4.049 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.103 3.375 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.710 4.655 0.015 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.610 1.070 0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.355 4.083 1.567 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.820 -0.589 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.570 2.424 2.908 1.00 0.00 H new ATOM 0 HH TYR A 56 5.704 0.322 3.571 1.00 0.00 H new ATOM 841 N PHE A 57 -0.291 6.165 0.850 1.00 0.00 N ATOM 842 CA PHE A 57 -0.802 7.473 0.455 1.00 0.00 C ATOM 843 C PHE A 57 0.030 8.592 1.075 1.00 0.00 C ATOM 844 O PHE A 57 0.717 8.388 2.076 1.00 0.00 O ATOM 845 CB PHE A 57 -2.267 7.619 0.874 1.00 0.00 C ATOM 846 CG PHE A 57 -2.910 8.882 0.377 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.851 9.223 -0.964 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.571 9.729 1.252 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.442 10.385 -1.425 1.00 0.00 C ATOM 850 CE2 PHE A 57 -4.164 10.892 0.797 1.00 0.00 C ATOM 851 CZ PHE A 57 -4.098 11.221 -0.543 1.00 0.00 C ATOM 0 H PHE A 57 -0.372 5.964 1.847 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.732 7.551 -0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.830 6.763 0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.330 7.593 1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.337 8.574 -1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.624 9.478 2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.391 10.638 -2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.678 11.543 1.489 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.559 12.130 -0.900 1.00 0.00 H new ATOM 861 N ARG A 58 -0.038 9.774 0.472 1.00 0.00 N ATOM 862 CA ARG A 58 0.710 10.926 0.963 1.00 0.00 C ATOM 863 C ARG A 58 -0.234 12.008 1.479 1.00 0.00 C ATOM 864 O ARG A 58 -1.319 12.212 0.933 1.00 0.00 O ATOM 865 CB ARG A 58 1.597 11.495 -0.146 1.00 0.00 C ATOM 866 CG ARG A 58 2.155 12.873 0.167 1.00 0.00 C ATOM 867 CD ARG A 58 3.309 12.796 1.155 1.00 0.00 C ATOM 868 NE ARG A 58 3.678 14.112 1.670 1.00 0.00 N ATOM 869 CZ ARG A 58 4.306 15.034 0.948 1.00 0.00 C ATOM 870 NH1 ARG A 58 4.632 14.785 -0.313 1.00 0.00 N ATOM 871 NH2 ARG A 58 4.608 16.208 1.487 1.00 0.00 N ATOM 0 H ARG A 58 -0.603 9.960 -0.357 1.00 0.00 H new ATOM 0 HA ARG A 58 1.340 10.594 1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.425 10.809 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.021 11.547 -1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.494 13.347 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.365 13.502 0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.032 12.146 1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.173 12.342 0.669 1.00 0.00 H new ATOM 0 HE ARG A 58 3.441 14.335 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.401 13.884 -0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.114 15.495 -0.865 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.358 16.404 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.090 16.915 0.932 1.00 0.00 H new ATOM 885 N THR A 59 0.186 12.698 2.534 1.00 0.00 N ATOM 886 CA THR A 59 -0.622 13.758 3.125 1.00 0.00 C ATOM 887 C THR A 59 0.254 14.890 3.648 1.00 0.00 C ATOM 888 O THR A 59 1.463 14.729 3.808 1.00 0.00 O ATOM 889 CB THR A 59 -1.493 13.223 4.278 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.670 12.894 5.402 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.277 11.995 3.839 1.00 0.00 C ATOM 0 H THR A 59 1.081 12.542 2.997 1.00 0.00 H new ATOM 0 HA THR A 59 -1.270 14.139 2.336 1.00 0.00 H new ATOM 0 HB THR A 59 -2.200 14.003 4.562 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.057 12.169 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.884 11.635 4.669 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.925 12.257 3.002 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.584 11.212 3.530 1.00 0.00 H new ATOM 899 N ASN A 60 -0.365 16.036 3.914 1.00 0.00 N ATOM 900 CA ASN A 60 0.360 17.197 4.419 1.00 0.00 C ATOM 901 C ASN A 60 1.278 16.804 5.573 1.00 0.00 C ATOM 902 O ASN A 60 2.434 17.223 5.629 1.00 0.00 O ATOM 903 CB ASN A 60 -0.622 18.276 4.879 1.00 0.00 C ATOM 904 CG ASN A 60 -1.507 18.771 3.752 1.00 0.00 C ATOM 905 OD1 ASN A 60 -1.338 18.378 2.597 1.00 0.00 O ATOM 906 ND2 ASN A 60 -2.457 19.637 4.083 1.00 0.00 N ATOM 0 H ASN A 60 -1.366 16.186 3.788 1.00 0.00 H new ATOM 0 HA ASN A 60 0.972 17.594 3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.246 17.878 5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.066 19.116 5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.084 20.005 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.560 19.935 5.053 1.00 0.00 H new ATOM 913 N GLU A 61 0.755 15.997 6.490 1.00 0.00 N ATOM 914 CA GLU A 61 1.529 15.548 7.642 1.00 0.00 C ATOM 915 C GLU A 61 2.666 14.627 7.209 1.00 0.00 C ATOM 916 O GLU A 61 3.835 15.010 7.241 1.00 0.00 O ATOM 917 CB GLU A 61 0.624 14.824 8.641 1.00 0.00 C ATOM 918 CG GLU A 61 1.350 14.354 9.890 1.00 0.00 C ATOM 919 CD GLU A 61 0.430 13.654 10.872 1.00 0.00 C ATOM 920 OE1 GLU A 61 -0.794 13.890 10.810 1.00 0.00 O ATOM 921 OE2 GLU A 61 0.935 12.869 11.702 1.00 0.00 O ATOM 0 H GLU A 61 -0.200 15.641 6.458 1.00 0.00 H new ATOM 0 HA GLU A 61 1.960 16.426 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.188 15.490 8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.170 13.964 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.154 13.676 9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.814 15.210 10.380 1.00 0.00 H new ATOM 928 N ASN A 62 2.314 13.411 6.804 1.00 0.00 N ATOM 929 CA ASN A 62 3.304 12.435 6.365 1.00 0.00 C ATOM 930 C ASN A 62 2.633 11.254 5.670 1.00 0.00 C ATOM 931 O ASN A 62 1.452 10.981 5.889 1.00 0.00 O ATOM 932 CB ASN A 62 4.125 11.939 7.558 1.00 0.00 C ATOM 933 CG ASN A 62 3.301 11.109 8.522 1.00 0.00 C ATOM 934 OD1 ASN A 62 2.775 10.057 8.159 1.00 0.00 O ATOM 935 ND2 ASN A 62 3.186 11.579 9.759 1.00 0.00 N ATOM 0 H ASN A 62 1.350 13.078 6.771 1.00 0.00 H new ATOM 0 HA ASN A 62 3.968 12.924 5.652 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.964 11.344 7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.545 12.794 8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.644 11.063 10.452 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.639 12.456 10.016 1.00 0.00 H new ATOM 942 N ILE A 63 3.393 10.558 4.832 1.00 0.00 N ATOM 943 CA ILE A 63 2.873 9.406 4.106 1.00 0.00 C ATOM 944 C ILE A 63 2.268 8.382 5.061 1.00 0.00 C ATOM 945 O ILE A 63 2.859 8.054 6.089 1.00 0.00 O ATOM 946 CB ILE A 63 3.972 8.724 3.270 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.579 9.719 2.278 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.407 7.516 2.537 1.00 0.00 C ATOM 949 CD1 ILE A 63 5.915 9.279 1.722 1.00 0.00 C ATOM 0 H ILE A 63 4.371 10.772 4.639 1.00 0.00 H new ATOM 0 HA ILE A 63 2.098 9.779 3.437 1.00 0.00 H new ATOM 0 HB ILE A 63 4.759 8.382 3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.882 9.868 1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.700 10.684 2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.196 7.045 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.017 6.801 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.604 7.836 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.285 10.032 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.627 9.158 2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.797 8.330 1.200 1.00 0.00 H new ATOM 961 N GLN A 64 1.088 7.881 4.712 1.00 0.00 N ATOM 962 CA GLN A 64 0.403 6.893 5.538 1.00 0.00 C ATOM 963 C GLN A 64 0.567 5.492 4.959 1.00 0.00 C ATOM 964 O GLN A 64 1.181 5.313 3.907 1.00 0.00 O ATOM 965 CB GLN A 64 -1.082 7.238 5.658 1.00 0.00 C ATOM 966 CG GLN A 64 -1.356 8.457 6.525 1.00 0.00 C ATOM 967 CD GLN A 64 -2.826 8.824 6.568 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.433 8.879 7.637 1.00 0.00 O ATOM 969 NE2 GLN A 64 -3.408 9.078 5.401 1.00 0.00 N ATOM 0 H GLN A 64 0.586 8.142 3.863 1.00 0.00 H new ATOM 0 HA GLN A 64 0.854 6.911 6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.487 7.413 4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.613 6.381 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.004 8.264 7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.785 9.304 6.145 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.867 9.021 4.538 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.396 9.330 5.368 1.00 0.00 H new ATOM 978 N ARG A 65 0.015 4.502 5.653 1.00 0.00 N ATOM 979 CA ARG A 65 0.102 3.117 5.208 1.00 0.00 C ATOM 980 C ARG A 65 -1.101 2.313 5.695 1.00 0.00 C ATOM 981 O ARG A 65 -1.315 2.164 6.898 1.00 0.00 O ATOM 982 CB ARG A 65 1.395 2.476 5.714 1.00 0.00 C ATOM 983 CG ARG A 65 2.567 2.633 4.759 1.00 0.00 C ATOM 984 CD ARG A 65 3.897 2.475 5.478 1.00 0.00 C ATOM 985 NE ARG A 65 4.217 3.640 6.299 1.00 0.00 N ATOM 986 CZ ARG A 65 5.228 3.678 7.160 1.00 0.00 C ATOM 987 NH1 ARG A 65 6.013 2.620 7.311 1.00 0.00 N ATOM 988 NH2 ARG A 65 5.455 4.775 7.871 1.00 0.00 N ATOM 0 H ARG A 65 -0.497 4.634 6.525 1.00 0.00 H new ATOM 0 HA ARG A 65 0.105 3.112 4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.658 2.919 6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.220 1.415 5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.492 1.891 3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.523 3.614 4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.865 1.586 6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.689 2.319 4.745 1.00 0.00 H new ATOM 0 HE ARG A 65 3.632 4.470 6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.841 1.775 6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.789 2.651 7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.853 5.590 7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.232 4.803 8.532 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.883 1.798 4.752 1.00 0.00 N ATOM 1003 CA PHE A 66 -3.065 1.011 5.085 1.00 0.00 C ATOM 1004 C PHE A 66 -2.737 -0.479 5.111 1.00 0.00 C ATOM 1005 O PHE A 66 -1.735 -0.916 4.544 1.00 0.00 O ATOM 1006 CB PHE A 66 -4.184 1.281 4.077 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.533 2.736 3.944 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -3.675 3.611 3.297 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -5.718 3.228 4.465 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -3.994 4.951 3.174 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -6.043 4.566 4.345 1.00 0.00 C ATOM 1012 CZ PHE A 66 -5.179 5.428 3.698 1.00 0.00 C ATOM 0 H PHE A 66 -1.720 1.911 3.752 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.401 1.308 6.078 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.884 0.897 3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.074 0.728 4.377 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.747 3.243 2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.397 2.558 4.971 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.317 5.624 2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.970 4.937 4.756 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.430 6.474 3.602 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.588 -1.255 5.773 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.391 -2.696 5.874 1.00 0.00 C ATOM 1024 C LYS A 67 -4.577 -3.450 5.280 1.00 0.00 C ATOM 1025 O LYS A 67 -5.646 -3.521 5.887 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.194 -3.104 7.335 1.00 0.00 C ATOM 1027 CG LYS A 67 -4.416 -2.861 8.205 1.00 0.00 C ATOM 1028 CD LYS A 67 -4.045 -2.769 9.675 1.00 0.00 C ATOM 1029 CE LYS A 67 -5.268 -2.911 10.568 1.00 0.00 C ATOM 1030 NZ LYS A 67 -6.068 -1.656 10.618 1.00 0.00 N ATOM 0 H LYS A 67 -4.422 -0.910 6.248 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.497 -2.956 5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.934 -4.162 7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.349 -2.552 7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.907 -1.939 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.133 -3.669 8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.323 -3.548 9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.560 -1.813 9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.893 -3.725 10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.952 -3.181 11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.892 -1.794 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.480 -0.884 10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.391 -1.412 9.660 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.380 -4.011 4.092 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.433 -4.762 3.418 1.00 0.00 C ATOM 1046 C ILE A 68 -5.252 -6.263 3.618 1.00 0.00 C ATOM 1047 O ILE A 68 -4.267 -6.845 3.162 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.465 -4.456 1.909 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.780 -2.977 1.673 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.488 -5.339 1.211 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -5.233 -2.444 0.367 1.00 0.00 C ATOM 0 H ILE A 68 -3.502 -3.960 3.576 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.378 -4.450 3.863 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.482 -4.670 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.861 -2.837 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.370 -2.391 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.499 -5.111 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.223 -6.386 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.476 -5.153 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.494 -1.390 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.148 -2.552 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.662 -3.005 -0.463 1.00 0.00 H new ATOM 1063 N CYS A 69 -6.208 -6.883 4.300 1.00 0.00 N ATOM 1064 CA CYS A 69 -6.155 -8.317 4.559 1.00 0.00 C ATOM 1065 C CYS A 69 -7.151 -9.066 3.678 1.00 0.00 C ATOM 1066 O CYS A 69 -8.307 -8.669 3.530 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.446 -8.601 6.033 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.633 -10.084 6.674 1.00 0.00 S ATOM 0 H CYS A 69 -7.029 -6.415 4.684 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.151 -8.667 4.320 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.132 -7.742 6.626 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.523 -8.704 6.166 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.470 -10.220 6.109 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.693 -10.174 3.078 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.526 -11.001 2.201 1.00 0.00 C ATOM 1076 C PRO A 70 -8.613 -11.747 2.968 1.00 0.00 C ATOM 1077 O PRO A 70 -8.370 -12.277 4.053 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.529 -11.989 1.591 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.421 -12.070 2.583 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.326 -10.706 3.210 1.00 0.00 C ATOM 0 HA PRO A 70 -8.059 -10.402 1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.987 -12.965 1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.169 -11.641 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.626 -12.832 3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.483 -12.343 2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.016 -10.764 4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.599 -10.077 2.696 1.00 0.00 H new ATOM 1088 N THR A 71 -9.813 -11.787 2.397 1.00 0.00 N ATOM 1089 CA THR A 71 -10.937 -12.467 3.028 1.00 0.00 C ATOM 1090 C THR A 71 -11.259 -13.775 2.314 1.00 0.00 C ATOM 1091 O THR A 71 -11.067 -13.914 1.105 1.00 0.00 O ATOM 1092 CB THR A 71 -12.196 -11.580 3.041 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.715 -11.446 1.713 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.882 -10.204 3.608 1.00 0.00 C ATOM 0 H THR A 71 -10.031 -11.356 1.499 1.00 0.00 H new ATOM 0 HA THR A 71 -10.641 -12.679 4.055 1.00 0.00 H new ATOM 0 HB THR A 71 -12.943 -12.057 3.676 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.973 -11.397 1.075 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.786 -9.595 3.607 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.514 -10.306 4.629 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.120 -9.723 2.995 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.760 -14.758 3.075 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.120 -16.073 2.535 1.00 0.00 C ATOM 1104 C PRO A 72 -13.348 -16.012 1.633 1.00 0.00 C ATOM 1105 O PRO A 72 -13.631 -16.951 0.890 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.418 -16.901 3.788 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.815 -15.901 4.818 1.00 0.00 C ATOM 1108 CD PRO A 72 -12.015 -14.662 4.523 1.00 0.00 C ATOM 0 HA PRO A 72 -11.329 -16.488 1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.217 -17.620 3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.543 -17.469 4.104 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.884 -15.695 4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.606 -16.271 5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.568 -13.757 4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.087 -14.637 5.094 1.00 0.00 H new ATOM 1116 N ASN A 73 -14.074 -14.901 1.703 1.00 0.00 N ATOM 1117 CA ASN A 73 -15.272 -14.719 0.892 1.00 0.00 C ATOM 1118 C ASN A 73 -14.918 -14.165 -0.485 1.00 0.00 C ATOM 1119 O ASN A 73 -15.753 -13.559 -1.155 1.00 0.00 O ATOM 1120 CB ASN A 73 -16.251 -13.777 1.596 1.00 0.00 C ATOM 1121 CG ASN A 73 -16.548 -14.210 3.019 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -15.715 -14.059 3.912 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -17.741 -14.752 3.236 1.00 0.00 N ATOM 0 H ASN A 73 -13.854 -14.114 2.313 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.744 -15.693 0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.838 -12.768 1.605 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -17.182 -13.735 1.030 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.997 -15.062 4.173 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -18.401 -14.858 2.465 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.674 -14.379 -0.900 1.00 0.00 N ATOM 1131 CA ASN A 74 -13.208 -13.902 -2.197 1.00 0.00 C ATOM 1132 C ASN A 74 -13.328 -12.384 -2.294 1.00 0.00 C ATOM 1133 O ASN A 74 -13.740 -11.849 -3.322 1.00 0.00 O ATOM 1134 CB ASN A 74 -14.009 -14.560 -3.323 1.00 0.00 C ATOM 1135 CG ASN A 74 -13.308 -14.463 -4.665 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -12.082 -14.375 -4.732 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -14.086 -14.477 -5.741 1.00 0.00 N ATOM 0 H ASN A 74 -12.970 -14.880 -0.357 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.157 -14.173 -2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.178 -15.609 -3.080 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.988 -14.087 -3.393 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.672 -14.413 -6.671 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.098 -14.551 -5.638 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.962 -11.698 -1.215 1.00 0.00 N ATOM 1145 CA GLN A 75 -13.029 -10.242 -1.178 1.00 0.00 C ATOM 1146 C GLN A 75 -11.851 -9.663 -0.401 1.00 0.00 C ATOM 1147 O GLN A 75 -11.079 -10.398 0.215 1.00 0.00 O ATOM 1148 CB GLN A 75 -14.345 -9.786 -0.547 1.00 0.00 C ATOM 1149 CG GLN A 75 -15.578 -10.321 -1.258 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.003 -9.450 -2.424 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -15.534 -9.626 -3.548 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -16.896 -8.503 -2.161 1.00 0.00 N ATOM 0 H GLN A 75 -12.617 -12.127 -0.356 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.980 -9.875 -2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.369 -10.106 0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -14.380 -8.697 -0.547 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.376 -11.330 -1.618 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -16.400 -10.395 -0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.258 -8.393 -1.214 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.220 -7.886 -2.906 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.719 -8.341 -0.435 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.634 -7.663 0.265 1.00 0.00 C ATOM 1163 C PHE A 76 -11.178 -6.772 1.378 1.00 0.00 C ATOM 1164 O PHE A 76 -12.319 -6.316 1.320 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.810 -6.827 -0.716 1.00 0.00 C ATOM 1166 CG PHE A 76 -9.020 -7.653 -1.691 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -9.662 -8.429 -2.642 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -7.635 -7.653 -1.656 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -8.938 -9.190 -3.540 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -6.905 -8.412 -2.552 1.00 0.00 C ATOM 1171 CZ PHE A 76 -7.558 -9.180 -3.495 1.00 0.00 C ATOM 0 H PHE A 76 -12.350 -7.718 -0.940 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.993 -8.423 0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.478 -6.167 -1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.127 -6.191 -0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.741 -8.439 -2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.120 -7.053 -0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.451 -9.792 -4.276 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.826 -8.404 -2.514 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.990 -9.773 -4.197 1.00 0.00 H new ATOM 1181 N MET A 77 -10.352 -6.530 2.391 1.00 0.00 N ATOM 1182 CA MET A 77 -10.750 -5.694 3.517 1.00 0.00 C ATOM 1183 C MET A 77 -9.800 -4.511 3.678 1.00 0.00 C ATOM 1184 O MET A 77 -8.582 -4.682 3.716 1.00 0.00 O ATOM 1185 CB MET A 77 -10.780 -6.518 4.806 1.00 0.00 C ATOM 1186 CG MET A 77 -12.118 -7.191 5.066 1.00 0.00 C ATOM 1187 SD MET A 77 -12.051 -8.364 6.434 1.00 0.00 S ATOM 1188 CE MET A 77 -11.397 -7.325 7.739 1.00 0.00 C ATOM 0 H MET A 77 -9.404 -6.901 2.455 1.00 0.00 H new ATOM 0 HA MET A 77 -11.750 -5.310 3.317 1.00 0.00 H new ATOM 0 HB2 MET A 77 -10.002 -7.280 4.758 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.539 -5.869 5.648 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.868 -6.430 5.282 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.441 -7.710 4.163 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.544 -7.814 8.702 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.332 -7.161 7.574 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.917 -6.367 7.736 1.00 0.00 H new ATOM 1198 N MET A 78 -10.366 -3.312 3.771 1.00 0.00 N ATOM 1199 CA MET A 78 -9.568 -2.102 3.928 1.00 0.00 C ATOM 1200 C MET A 78 -10.227 -1.140 4.913 1.00 0.00 C ATOM 1201 O MET A 78 -11.220 -0.490 4.589 1.00 0.00 O ATOM 1202 CB MET A 78 -9.375 -1.413 2.576 1.00 0.00 C ATOM 1203 CG MET A 78 -8.108 -0.578 2.494 1.00 0.00 C ATOM 1204 SD MET A 78 -8.264 1.007 3.339 1.00 0.00 S ATOM 1205 CE MET A 78 -7.529 2.108 2.132 1.00 0.00 C ATOM 0 H MET A 78 -11.373 -3.153 3.740 1.00 0.00 H new ATOM 0 HA MET A 78 -8.594 -2.388 4.324 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.353 -2.170 1.792 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.235 -0.774 2.377 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.280 -1.137 2.930 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.859 -0.404 1.447 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.724 3.142 2.416 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.453 1.939 2.093 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.962 1.914 1.151 1.00 0.00 H new ATOM 1215 N GLY A 79 -9.667 -1.056 6.116 1.00 0.00 N ATOM 1216 CA GLY A 79 -10.215 -0.172 7.128 1.00 0.00 C ATOM 1217 C GLY A 79 -11.518 -0.688 7.705 1.00 0.00 C ATOM 1218 O GLY A 79 -12.495 0.052 7.812 1.00 0.00 O ATOM 0 H GLY A 79 -8.844 -1.584 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.489 -0.050 7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.379 0.814 6.694 1.00 0.00 H new ATOM 1222 N GLY A 80 -11.534 -1.964 8.078 1.00 0.00 N ATOM 1223 CA GLY A 80 -12.732 -2.558 8.642 1.00 0.00 C ATOM 1224 C GLY A 80 -13.912 -2.495 7.692 1.00 0.00 C ATOM 1225 O GLY A 80 -15.055 -2.342 8.121 1.00 0.00 O ATOM 0 H GLY A 80 -10.738 -2.597 8.000 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.532 -3.598 8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.987 -2.044 9.569 1.00 0.00 H new ATOM 1229 N ARG A 81 -13.634 -2.611 6.397 1.00 0.00 N ATOM 1230 CA ARG A 81 -14.681 -2.563 5.384 1.00 0.00 C ATOM 1231 C ARG A 81 -14.519 -3.702 4.381 1.00 0.00 C ATOM 1232 O ARG A 81 -13.569 -4.481 4.459 1.00 0.00 O ATOM 1233 CB ARG A 81 -14.653 -1.219 4.654 1.00 0.00 C ATOM 1234 CG ARG A 81 -14.997 -0.036 5.544 1.00 0.00 C ATOM 1235 CD ARG A 81 -16.498 0.197 5.606 1.00 0.00 C ATOM 1236 NE ARG A 81 -16.952 1.122 4.571 1.00 0.00 N ATOM 1237 CZ ARG A 81 -18.232 1.355 4.304 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -19.180 0.734 4.992 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -18.566 2.211 3.347 1.00 0.00 N ATOM 0 H ARG A 81 -12.693 -2.739 6.025 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.642 -2.676 5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.661 -1.067 4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.355 -1.253 3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.613 -0.212 6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.504 0.860 5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.017 -0.755 5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.763 0.592 6.587 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.248 1.616 4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.927 0.075 5.729 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.162 0.915 4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.839 2.691 2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.549 2.389 3.143 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.453 -3.792 3.441 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.416 -4.837 2.424 1.00 0.00 C ATOM 1255 C TYR A 82 -15.610 -4.248 1.030 1.00 0.00 C ATOM 1256 O TYR A 82 -16.345 -3.277 0.851 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.494 -5.886 2.702 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.608 -6.266 4.161 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.585 -6.955 4.801 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.738 -5.938 4.899 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.684 -7.305 6.134 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.846 -6.283 6.232 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.816 -6.966 6.845 1.00 0.00 C ATOM 1264 OH TYR A 82 -16.920 -7.313 8.173 1.00 0.00 O ATOM 0 H TYR A 82 -16.245 -3.154 3.362 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.436 -5.313 2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.456 -5.506 2.358 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -16.278 -6.781 2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.697 -7.222 4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.546 -5.404 4.422 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.880 -7.841 6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.732 -6.020 6.791 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.778 -6.999 8.527 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.945 -4.844 0.046 1.00 0.00 N ATOM 1275 CA TYR A 83 -15.042 -4.379 -1.332 1.00 0.00 C ATOM 1276 C TYR A 83 -14.859 -5.535 -2.311 1.00 0.00 C ATOM 1277 O TYR A 83 -14.422 -6.620 -1.932 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.995 -3.297 -1.602 1.00 0.00 C ATOM 1279 CG TYR A 83 -14.223 -2.025 -0.816 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.855 -1.936 0.521 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.806 -0.913 -1.410 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -14.061 -0.777 1.243 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -15.015 0.251 -0.696 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.641 0.314 0.630 1.00 0.00 C ATOM 1285 OH TYR A 83 -14.849 1.471 1.345 1.00 0.00 O ATOM 0 H TYR A 83 -14.333 -5.650 0.177 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.037 -3.957 -1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.007 -3.691 -1.362 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.994 -3.061 -2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.400 -2.788 1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.101 -0.959 -2.448 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.770 -0.725 2.282 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.469 1.107 -1.173 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.265 2.143 0.766 1.00 0.00 H new ATOM 1295 N ASN A 84 -15.196 -5.291 -3.574 1.00 0.00 N ATOM 1296 CA ASN A 84 -15.069 -6.311 -4.609 1.00 0.00 C ATOM 1297 C ASN A 84 -13.608 -6.702 -4.810 1.00 0.00 C ATOM 1298 O ASN A 84 -13.273 -7.886 -4.855 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.660 -5.805 -5.927 1.00 0.00 C ATOM 1300 CG ASN A 84 -15.967 -6.933 -6.893 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -15.149 -7.273 -7.747 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -17.151 -7.519 -6.761 1.00 0.00 N ATOM 0 H ASN A 84 -15.559 -4.397 -3.905 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.621 -7.193 -4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.574 -5.247 -5.722 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.960 -5.111 -6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -17.413 -8.284 -7.382 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.798 -7.204 -6.038 1.00 0.00 H new ATOM 1309 N SER A 85 -12.744 -5.700 -4.931 1.00 0.00 N ATOM 1310 CA SER A 85 -11.319 -5.939 -5.131 1.00 0.00 C ATOM 1311 C SER A 85 -10.539 -4.628 -5.105 1.00 0.00 C ATOM 1312 O SER A 85 -11.106 -3.552 -5.297 1.00 0.00 O ATOM 1313 CB SER A 85 -11.083 -6.659 -6.460 1.00 0.00 C ATOM 1314 OG SER A 85 -11.377 -5.813 -7.558 1.00 0.00 O ATOM 0 H SER A 85 -13.005 -4.715 -4.894 1.00 0.00 H new ATOM 0 HA SER A 85 -10.964 -6.569 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.046 -6.989 -6.519 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.705 -7.553 -6.509 1.00 0.00 H new ATOM 0 HG SER A 85 -11.216 -6.296 -8.395 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.236 -4.727 -4.864 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.378 -3.550 -4.814 1.00 0.00 C ATOM 1322 C ILE A 86 -8.765 -2.541 -5.889 1.00 0.00 C ATOM 1323 O ILE A 86 -9.230 -1.443 -5.586 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.895 -3.927 -4.989 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.461 -4.903 -3.894 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.025 -2.679 -4.968 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -5.065 -5.450 -4.090 1.00 0.00 C ATOM 0 H ILE A 86 -8.752 -5.610 -4.700 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.517 -3.100 -3.831 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.772 -4.416 -5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.513 -4.400 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.166 -5.733 -3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.980 -2.962 -5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.321 -2.016 -5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.150 -2.164 -4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.825 -6.135 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.013 -5.982 -5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.349 -4.628 -4.095 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.571 -2.922 -7.148 1.00 0.00 N ATOM 1340 CA GLY A 87 -8.906 -2.039 -8.250 1.00 0.00 C ATOM 1341 C GLY A 87 -10.131 -1.193 -7.964 1.00 0.00 C ATOM 1342 O GLY A 87 -10.096 0.029 -8.104 1.00 0.00 O ATOM 0 H GLY A 87 -8.188 -3.826 -7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.058 -1.386 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.080 -2.633 -9.147 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.217 -1.845 -7.562 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.459 -1.144 -7.256 1.00 0.00 C ATOM 1348 C ASP A 88 -12.266 -0.181 -6.088 1.00 0.00 C ATOM 1349 O ASP A 88 -12.502 1.020 -6.217 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.567 -2.146 -6.928 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.332 -2.586 -8.161 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -14.221 -1.906 -9.202 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.043 -3.611 -8.084 1.00 0.00 O ATOM 0 H ASP A 88 -11.262 -2.857 -7.441 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.748 -0.568 -8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.131 -3.020 -6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.259 -1.698 -6.215 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.837 -0.717 -4.951 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.613 0.095 -3.761 1.00 0.00 C ATOM 1360 C ILE A 89 -11.096 1.481 -4.131 1.00 0.00 C ATOM 1361 O ILE A 89 -11.386 2.465 -3.450 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.610 -0.576 -2.803 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -11.175 -1.900 -2.285 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -10.281 0.355 -1.645 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -10.142 -2.773 -1.607 1.00 0.00 C ATOM 0 H ILE A 89 -11.637 -1.710 -4.828 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.575 0.191 -3.258 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.690 -0.784 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.981 -1.691 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.613 -2.450 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.571 -0.133 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.842 1.275 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.193 0.590 -1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.613 -3.695 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.347 -3.012 -2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.721 -2.242 -0.753 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.330 1.551 -5.215 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.775 2.817 -5.677 1.00 0.00 C ATOM 1379 C ILE A 90 -10.858 3.702 -6.284 1.00 0.00 C ATOM 1380 O ILE A 90 -10.976 4.879 -5.942 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.663 2.597 -6.720 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.482 1.855 -6.090 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.210 3.928 -7.300 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -6.571 1.198 -7.103 1.00 0.00 C ATOM 0 H ILE A 90 -10.080 0.746 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.350 3.313 -4.804 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.061 1.986 -7.530 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.900 2.556 -5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.863 1.094 -5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.424 3.756 -8.035 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.055 4.422 -7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.826 4.562 -6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.757 0.691 -6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.138 0.472 -7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.161 1.957 -7.769 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.647 3.128 -7.185 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.723 3.865 -7.839 1.00 0.00 C ATOM 1398 C ASP A 91 -13.736 4.368 -6.815 1.00 0.00 C ATOM 1399 O ASP A 91 -14.379 5.399 -7.018 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.421 2.980 -8.872 1.00 0.00 C ATOM 1401 CG ASP A 91 -12.441 2.298 -9.807 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -11.925 1.221 -9.442 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -12.189 2.841 -10.903 1.00 0.00 O ATOM 0 H ASP A 91 -11.562 2.155 -7.480 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.286 4.726 -8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -14.014 2.224 -8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.114 3.586 -9.456 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.875 3.634 -5.716 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.811 4.006 -4.661 1.00 0.00 C ATOM 1410 C HIS A 92 -14.276 5.183 -3.851 1.00 0.00 C ATOM 1411 O HIS A 92 -15.030 6.076 -3.465 1.00 0.00 O ATOM 1412 CB HIS A 92 -15.073 2.814 -3.739 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.286 2.980 -2.877 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.222 3.358 -1.552 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.600 2.817 -3.157 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.444 3.420 -1.055 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -18.299 3.096 -2.008 1.00 0.00 N ATOM 0 H HIS A 92 -13.351 2.778 -5.533 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.748 4.306 -5.129 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.188 1.915 -4.345 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.202 2.660 -3.101 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -18.021 2.522 -4.107 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -17.701 3.690 -0.041 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -19.313 3.059 -1.907 1.00 0.00 H new ATOM 1425 N TYR A 93 -12.973 5.177 -3.597 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.338 6.242 -2.831 1.00 0.00 C ATOM 1427 C TYR A 93 -12.215 7.514 -3.665 1.00 0.00 C ATOM 1428 O TYR A 93 -12.365 8.623 -3.152 1.00 0.00 O ATOM 1429 CB TYR A 93 -10.956 5.799 -2.349 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.991 4.987 -1.074 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.743 5.404 0.018 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.272 3.803 -0.961 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.777 4.666 1.185 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -10.301 3.058 0.202 1.00 0.00 C ATOM 1435 CZ TYR A 93 -11.054 3.494 1.272 1.00 0.00 C ATOM 1436 OH TYR A 93 -11.087 2.755 2.433 1.00 0.00 O ATOM 0 H TYR A 93 -12.335 4.446 -3.911 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.965 6.456 -1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.479 5.210 -3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.335 6.681 -2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.310 6.321 -0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.680 3.459 -1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.366 5.004 2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.737 2.140 0.273 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.222 2.313 2.564 1.00 0.00 H new ATOM 1446 N ARG A 94 -11.940 7.344 -4.954 1.00 0.00 N ATOM 1447 CA ARG A 94 -11.795 8.477 -5.860 1.00 0.00 C ATOM 1448 C ARG A 94 -12.954 9.456 -5.695 1.00 0.00 C ATOM 1449 O ARG A 94 -12.796 10.661 -5.891 1.00 0.00 O ATOM 1450 CB ARG A 94 -11.725 7.993 -7.309 1.00 0.00 C ATOM 1451 CG ARG A 94 -10.334 7.555 -7.738 1.00 0.00 C ATOM 1452 CD ARG A 94 -10.299 7.175 -9.210 1.00 0.00 C ATOM 1453 NE ARG A 94 -8.942 7.197 -9.749 1.00 0.00 N ATOM 1454 CZ ARG A 94 -8.580 6.557 -10.856 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -9.470 5.850 -11.538 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -7.326 6.626 -11.283 1.00 0.00 N ATOM 0 H ARG A 94 -11.813 6.433 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.867 8.993 -5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.415 7.159 -7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.064 8.793 -7.967 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.624 8.361 -7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.017 6.705 -7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.723 6.179 -9.337 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.925 7.864 -9.777 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.233 7.733 -9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.436 5.796 -11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.189 5.360 -12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.639 7.170 -10.762 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.049 6.135 -12.133 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.119 8.930 -5.334 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.305 9.756 -5.142 1.00 0.00 C ATOM 1472 C LYS A 95 -15.661 9.861 -3.662 1.00 0.00 C ATOM 1473 O LYS A 95 -16.573 10.597 -3.285 1.00 0.00 O ATOM 1474 CB LYS A 95 -16.488 9.176 -5.922 1.00 0.00 C ATOM 1475 CG LYS A 95 -16.155 8.830 -7.363 1.00 0.00 C ATOM 1476 CD LYS A 95 -17.321 8.145 -8.055 1.00 0.00 C ATOM 1477 CE LYS A 95 -16.877 7.441 -9.329 1.00 0.00 C ATOM 1478 NZ LYS A 95 -18.036 6.944 -10.120 1.00 0.00 N ATOM 0 H LYS A 95 -14.267 7.935 -5.168 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.085 10.756 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.842 8.279 -5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.308 9.894 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.892 9.738 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.281 8.179 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.774 7.422 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.088 8.882 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.290 8.128 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.226 6.605 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -17.692 6.471 -10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.583 6.269 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.644 7.745 -10.385 1.00 0.00 H new ATOM 1492 N GLU A 96 -14.935 9.122 -2.829 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.175 9.134 -1.391 1.00 0.00 C ATOM 1494 C GLU A 96 -13.875 9.356 -0.624 1.00 0.00 C ATOM 1495 O GLU A 96 -12.969 8.523 -0.666 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.824 7.821 -0.949 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.302 7.728 -1.286 1.00 0.00 C ATOM 1498 CD GLU A 96 -18.181 8.391 -0.243 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -18.211 7.900 0.905 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -18.838 9.400 -0.574 1.00 0.00 O ATOM 0 H GLU A 96 -14.176 8.508 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.852 9.958 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.300 6.990 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.698 7.708 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.480 8.194 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.584 6.679 -1.380 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.791 10.484 0.074 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.601 10.815 0.849 1.00 0.00 C ATOM 1509 C GLN A 97 -12.107 9.604 1.633 1.00 0.00 C ATOM 1510 O GLN A 97 -12.733 9.186 2.607 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.896 11.971 1.806 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.230 13.276 1.100 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.088 14.483 2.006 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -13.578 14.486 3.136 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -12.415 15.516 1.515 1.00 0.00 N ATOM 0 H GLN A 97 -14.532 11.183 0.119 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.818 11.118 0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.729 11.693 2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.031 12.127 2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.575 13.395 0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.251 13.229 0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.026 15.470 0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.287 16.356 2.079 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.982 9.044 1.200 1.00 0.00 N ATOM 1525 CA ILE A 98 -10.404 7.881 1.863 1.00 0.00 C ATOM 1526 C ILE A 98 -9.949 8.224 3.277 1.00 0.00 C ATOM 1527 O ILE A 98 -9.881 7.355 4.147 1.00 0.00 O ATOM 1528 CB ILE A 98 -9.208 7.320 1.072 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.593 6.130 1.812 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -8.166 8.405 0.846 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.709 5.267 0.938 1.00 0.00 C ATOM 0 H ILE A 98 -10.453 9.377 0.394 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.186 7.123 1.910 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.563 6.977 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -8.008 6.499 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.393 5.516 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.327 7.993 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.611 9.225 0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.812 8.776 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.307 4.443 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.294 4.868 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.888 5.867 0.546 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.639 9.497 3.501 1.00 0.00 N ATOM 1544 CA VAL A 99 -9.193 9.956 4.811 1.00 0.00 C ATOM 1545 C VAL A 99 -10.161 10.980 5.394 1.00 0.00 C ATOM 1546 O VAL A 99 -11.217 11.245 4.821 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.787 10.580 4.738 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -7.040 10.368 6.047 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -7.006 9.997 3.569 1.00 0.00 C ATOM 0 H VAL A 99 -9.689 10.229 2.792 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.161 9.080 5.459 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.892 11.653 4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.049 10.816 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.593 10.836 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.943 9.300 6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.015 10.449 3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.909 8.919 3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.534 10.205 2.639 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.792 11.553 6.535 1.00 0.00 N ATOM 1560 CA GLU A 100 -10.629 12.548 7.195 1.00 0.00 C ATOM 1561 C GLU A 100 -10.452 13.920 6.552 1.00 0.00 C ATOM 1562 O GLU A 100 -10.398 14.938 7.241 1.00 0.00 O ATOM 1563 CB GLU A 100 -10.290 12.624 8.686 1.00 0.00 C ATOM 1564 CG GLU A 100 -8.884 13.127 8.966 1.00 0.00 C ATOM 1565 CD GLU A 100 -8.782 13.872 10.282 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -9.518 14.865 10.461 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -7.966 13.461 11.134 1.00 0.00 O ATOM 0 H GLU A 100 -8.920 11.346 7.021 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.669 12.244 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.007 13.280 9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.407 11.634 9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.195 12.282 8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.569 13.784 8.155 1.00 0.00 H new ATOM 1574 N GLY A 101 -10.362 13.938 5.225 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.192 15.190 4.511 1.00 0.00 C ATOM 1576 C GLY A 101 -9.171 15.086 3.395 1.00 0.00 C ATOM 1577 O GLY A 101 -8.415 16.025 3.147 1.00 0.00 O ATOM 0 H GLY A 101 -10.404 13.109 4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.150 15.501 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.882 15.965 5.212 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.148 13.941 2.721 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.210 13.716 1.628 1.00 0.00 C ATOM 1583 C TYR A 102 -8.818 12.805 0.567 1.00 0.00 C ATOM 1584 O TYR A 102 -9.411 11.773 0.884 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.913 13.104 2.160 1.00 0.00 C ATOM 1586 CG TYR A 102 -6.038 14.088 2.903 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -5.142 14.903 2.222 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -6.108 14.204 4.286 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -4.340 15.803 2.897 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -5.311 15.102 4.969 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.429 15.900 4.270 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.633 16.795 4.947 1.00 0.00 O ATOM 0 H TYR A 102 -9.768 13.154 2.913 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.988 14.679 1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.158 12.275 2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.349 12.687 1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.071 14.832 1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -6.798 13.581 4.836 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.647 16.427 2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -5.378 15.179 6.044 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.820 16.738 5.907 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.666 13.193 -0.694 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.201 12.413 -1.804 1.00 0.00 C ATOM 1604 C TYR A 103 -8.078 11.753 -2.598 1.00 0.00 C ATOM 1605 O TYR A 103 -6.900 12.053 -2.396 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.036 13.304 -2.725 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.498 13.368 -2.343 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.300 12.235 -2.390 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.077 14.563 -1.933 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.635 12.289 -2.043 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.412 14.627 -1.582 1.00 0.00 C ATOM 1612 CZ TYR A 103 -14.187 13.488 -1.639 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.517 13.546 -1.291 1.00 0.00 O ATOM 0 H TYR A 103 -8.177 14.043 -0.973 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.838 11.631 -1.391 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.622 14.312 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -9.952 12.935 -3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.871 11.295 -2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.473 15.457 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.244 11.398 -2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -13.846 15.564 -1.265 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.747 14.462 -1.029 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.450 10.855 -3.502 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.476 10.151 -4.329 1.00 0.00 C ATOM 1625 C LEU A 104 -7.429 10.740 -5.736 1.00 0.00 C ATOM 1626 O LEU A 104 -8.254 10.407 -6.587 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.816 8.662 -4.398 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.408 7.823 -3.186 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.933 6.402 -3.319 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -5.895 7.822 -3.023 1.00 0.00 C ATOM 0 H LEU A 104 -9.420 10.596 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.494 10.271 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.892 8.562 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.339 8.241 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.849 8.269 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.633 5.820 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.021 6.421 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.522 5.945 -4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.623 7.220 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.433 7.401 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.544 8.844 -2.880 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.458 11.615 -5.974 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.300 12.247 -7.277 1.00 0.00 C ATOM 1644 C LYS A 105 -5.851 11.233 -8.324 1.00 0.00 C ATOM 1645 O LYS A 105 -6.637 10.815 -9.173 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.287 13.391 -7.193 1.00 0.00 C ATOM 1647 CG LYS A 105 -5.802 14.605 -6.438 1.00 0.00 C ATOM 1648 CD LYS A 105 -6.622 15.515 -7.337 1.00 0.00 C ATOM 1649 CE LYS A 105 -6.660 16.938 -6.803 1.00 0.00 C ATOM 1650 NZ LYS A 105 -6.804 17.938 -7.897 1.00 0.00 N ATOM 0 H LYS A 105 -5.768 11.902 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.268 12.648 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.381 13.028 -6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.008 13.693 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.412 14.279 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.961 15.162 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.199 15.513 -8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.638 15.128 -7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.491 17.042 -6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.746 17.140 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.826 18.895 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.998 17.857 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.688 17.761 -8.415 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.583 10.841 -8.255 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.030 9.874 -9.197 1.00 0.00 C ATOM 1666 C GLU A 106 -2.922 9.052 -8.546 1.00 0.00 C ATOM 1667 O GLU A 106 -2.145 9.547 -7.730 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.489 10.589 -10.437 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.277 11.462 -10.155 1.00 0.00 C ATOM 1670 CD GLU A 106 -1.506 11.812 -11.413 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -1.038 10.879 -12.100 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -1.369 13.017 -11.710 1.00 0.00 O ATOM 0 H GLU A 106 -3.919 11.178 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.831 9.198 -9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.224 9.845 -11.188 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.279 11.206 -10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.601 12.380 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.615 10.945 -9.460 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.847 7.764 -8.914 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.838 6.845 -8.379 1.00 0.00 C ATOM 1681 C PRO A 107 -0.434 7.171 -8.876 1.00 0.00 C ATOM 1682 O PRO A 107 -0.240 8.116 -9.641 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.288 5.480 -8.904 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.068 5.786 -10.136 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.740 7.107 -9.882 1.00 0.00 C ATOM 0 HA PRO A 107 -1.773 6.899 -7.292 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.434 4.840 -9.125 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.898 4.955 -8.169 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.416 5.841 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.803 5.006 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.839 7.690 -10.798 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.744 6.976 -9.478 1.00 0.00 H new ATOM 1693 N VAL A 108 0.542 6.383 -8.438 1.00 0.00 N ATOM 1694 CA VAL A 108 1.928 6.587 -8.841 1.00 0.00 C ATOM 1695 C VAL A 108 2.313 5.650 -9.981 1.00 0.00 C ATOM 1696 O VAL A 108 2.125 4.436 -9.909 1.00 0.00 O ATOM 1697 CB VAL A 108 2.894 6.366 -7.661 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.338 6.480 -8.125 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.604 7.356 -6.544 1.00 0.00 C ATOM 0 H VAL A 108 0.399 5.597 -7.804 1.00 0.00 H new ATOM 0 HA VAL A 108 2.010 7.620 -9.180 1.00 0.00 H new ATOM 0 HB VAL A 108 2.741 5.359 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.006 6.321 -7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.535 5.728 -8.889 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.509 7.473 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.295 7.186 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.728 8.372 -6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.581 7.220 -6.194 1.00 0.00 H new ATOM 1709 N PRO A 109 2.866 6.226 -11.059 1.00 0.00 N ATOM 1710 CA PRO A 109 3.290 5.461 -12.235 1.00 0.00 C ATOM 1711 C PRO A 109 4.511 4.592 -11.952 1.00 0.00 C ATOM 1712 O PRO A 109 5.353 4.940 -11.125 1.00 0.00 O ATOM 1713 CB PRO A 109 3.632 6.546 -13.260 1.00 0.00 C ATOM 1714 CG PRO A 109 3.980 7.742 -12.443 1.00 0.00 C ATOM 1715 CD PRO A 109 3.119 7.669 -11.212 1.00 0.00 C ATOM 0 HA PRO A 109 2.519 4.767 -12.569 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.465 6.243 -13.894 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.788 6.749 -13.919 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.038 7.740 -12.180 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.791 8.661 -12.997 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.627 8.083 -10.341 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.192 8.229 -11.336 1.00 0.00 H new ATOM 1723 N MET A 110 4.600 3.461 -12.644 1.00 0.00 N ATOM 1724 CA MET A 110 5.720 2.544 -12.468 1.00 0.00 C ATOM 1725 C MET A 110 6.895 2.944 -13.353 1.00 0.00 C ATOM 1726 O MET A 110 6.745 3.750 -14.271 1.00 0.00 O ATOM 1727 CB MET A 110 5.289 1.112 -12.789 1.00 0.00 C ATOM 1728 CG MET A 110 4.786 0.933 -14.212 1.00 0.00 C ATOM 1729 SD MET A 110 6.122 0.903 -15.422 1.00 0.00 S ATOM 1730 CE MET A 110 5.452 1.971 -16.694 1.00 0.00 C ATOM 0 H MET A 110 3.910 3.158 -13.332 1.00 0.00 H new ATOM 0 HA MET A 110 6.039 2.595 -11.427 1.00 0.00 H new ATOM 0 HB2 MET A 110 6.133 0.442 -12.624 1.00 0.00 H new ATOM 0 HB3 MET A 110 4.504 0.813 -12.095 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.220 0.004 -14.279 1.00 0.00 H new ATOM 0 HG3 MET A 110 4.099 1.744 -14.455 1.00 0.00 H new ATOM 0 HE1 MET A 110 6.166 2.052 -17.514 1.00 0.00 H new ATOM 0 HE2 MET A 110 4.518 1.551 -17.066 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.265 2.960 -16.277 1.00 0.00 H new