USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 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 :FLIP amide:sc= 0.314 F(o=-2.3,f=1.6) USER MOD Set 1.2: A 102 TYR OH : rot 52:sc= 1.26 USER MOD Set 2.1: A 97 GLN : amide:sc= -0.515 X(o=-0.51,f=-0.14) USER MOD Set 2.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 78 MET CE :methyl 147:sc= -0.243 (180deg=-0.618) USER MOD Set 3.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.079) USER MOD Single : A 22 LYS NZ :NH3+ -118:sc= -0.131 (180deg=-1.43!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 33 MET CE :methyl 164:sc= -3.94! (180deg=-5.47!) USER MOD Single : A 34 THR OG1 : rot -69:sc= 0.319 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 CYS SG : rot 180:sc= -1.93! USER MOD Single : A 40 SER OG : rot 130:sc= -0.428 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 37:sc=0.000981 USER MOD Single : A 56 TYR OH : rot 180:sc= 0.539 USER MOD Single : A 59 THR OG1 : rot -49:sc= 1.19 USER MOD Single : A 62 ASN : amide:sc= -1.25 K(o=-1.3,f=-6.6!) USER MOD Single : A 64 GLN : amide:sc= -2.08 X(o=-2.1,f=-1.9!) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc=-0.00377 (180deg=-0.103) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -39:sc= 0.299 USER MOD Single : A 73 ASN : amide:sc= -0.0847 K(o=-0.085,f=-0.85) USER MOD Single : A 74 ASN : amide:sc= -0.0115 X(o=-0.011,f=-0.27) USER MOD Single : A 75 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.39) USER MOD Single : A 77 MET CE :methyl 163:sc= -0.582 (180deg=-1.58) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0553 USER MOD Single : A 92 HIS : no HD1:sc= -0.0173 K(o=-0.017,f=-1.3) USER MOD Single : A 95 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.148) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -152:sc= -0.503 (180deg=-1.85!) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.517 -2.997 -13.756 1.00 0.00 N ATOM 186 CA LYS A 16 -1.221 -1.766 -13.418 1.00 0.00 C ATOM 187 C LYS A 16 -0.238 -0.623 -13.184 1.00 0.00 C ATOM 188 O LYS A 16 0.932 -0.853 -12.876 1.00 0.00 O ATOM 189 CB LYS A 16 -2.084 -1.973 -12.171 1.00 0.00 C ATOM 190 CG LYS A 16 -3.045 -3.144 -12.284 1.00 0.00 C ATOM 191 CD LYS A 16 -4.297 -2.764 -13.057 1.00 0.00 C ATOM 192 CE LYS A 16 -5.264 -3.933 -13.160 1.00 0.00 C ATOM 193 NZ LYS A 16 -4.990 -4.777 -14.356 1.00 0.00 N ATOM 0 HA LYS A 16 -1.864 -1.503 -14.258 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.433 -2.130 -11.311 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.653 -1.064 -11.978 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.548 -3.977 -12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.322 -3.487 -11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.789 -1.925 -12.565 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.021 -2.429 -14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.192 -4.544 -12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.286 -3.556 -13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.671 -5.563 -14.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.084 -4.201 -15.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.024 -5.158 -14.298 1.00 0.00 H new ATOM 207 N ILE A 17 -0.720 0.606 -13.331 1.00 0.00 N ATOM 208 CA ILE A 17 0.117 1.783 -13.133 1.00 0.00 C ATOM 209 C ILE A 17 0.218 2.143 -11.655 1.00 0.00 C ATOM 210 O ILE A 17 1.254 2.621 -11.192 1.00 0.00 O ATOM 211 CB ILE A 17 -0.427 2.997 -13.910 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.536 4.180 -13.788 1.00 0.00 C ATOM 213 CG2 ILE A 17 -1.809 3.377 -13.399 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.260 5.288 -14.780 1.00 0.00 C ATOM 0 H ILE A 17 -1.686 0.813 -13.586 1.00 0.00 H new ATOM 0 HA ILE A 17 1.108 1.534 -13.512 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.512 2.728 -14.963 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.476 4.584 -12.778 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.556 3.823 -13.928 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.180 4.236 -13.958 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.490 2.536 -13.532 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.748 3.631 -12.341 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.980 6.093 -14.636 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.349 4.899 -15.794 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.749 5.672 -14.626 1.00 0.00 H new ATOM 226 N TRP A 18 -0.862 1.909 -10.920 1.00 0.00 N ATOM 227 CA TRP A 18 -0.894 2.207 -9.492 1.00 0.00 C ATOM 228 C TRP A 18 -0.165 1.131 -8.695 1.00 0.00 C ATOM 229 O TRP A 18 0.352 1.393 -7.609 1.00 0.00 O ATOM 230 CB TRP A 18 -2.340 2.327 -9.008 1.00 0.00 C ATOM 231 CG TRP A 18 -3.218 1.206 -9.476 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.119 1.245 -10.502 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.280 -0.118 -8.935 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.738 0.024 -10.631 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.239 -0.829 -9.682 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.616 -0.773 -7.894 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.551 -2.160 -9.418 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -2.927 -2.094 -7.633 1.00 0.00 C ATOM 239 CH2 TRP A 18 -3.886 -2.777 -8.393 1.00 0.00 C ATOM 0 H TRP A 18 -1.727 1.514 -11.288 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.385 3.158 -9.333 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.350 2.356 -7.918 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.755 3.273 -9.356 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.316 2.108 -11.121 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.452 -0.209 -11.321 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.873 -0.256 -7.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.292 -2.687 -10.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.422 -2.609 -6.829 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.105 -3.810 -8.166 1.00 0.00 H new ATOM 250 N PHE A 19 -0.128 -0.080 -9.240 1.00 0.00 N ATOM 251 CA PHE A 19 0.538 -1.196 -8.578 1.00 0.00 C ATOM 252 C PHE A 19 2.054 -1.060 -8.675 1.00 0.00 C ATOM 253 O PHE A 19 2.573 -0.388 -9.568 1.00 0.00 O ATOM 254 CB PHE A 19 0.093 -2.523 -9.198 1.00 0.00 C ATOM 255 CG PHE A 19 0.827 -3.715 -8.652 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.853 -3.965 -7.290 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.489 -4.585 -9.502 1.00 0.00 C ATOM 258 CE1 PHE A 19 1.528 -5.060 -6.786 1.00 0.00 C ATOM 259 CE2 PHE A 19 2.166 -5.683 -9.004 1.00 0.00 C ATOM 260 CZ PHE A 19 2.184 -5.921 -7.644 1.00 0.00 C ATOM 0 H PHE A 19 -0.551 -0.314 -10.138 1.00 0.00 H new ATOM 0 HA PHE A 19 0.256 -1.182 -7.525 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.975 -2.655 -9.027 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.240 -2.478 -10.277 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.340 -3.297 -6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.476 -4.404 -10.567 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.543 -5.243 -5.722 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.680 -6.353 -9.677 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.710 -6.779 -7.252 1.00 0.00 H new ATOM 270 N HIS A 20 2.761 -1.701 -7.750 1.00 0.00 N ATOM 271 CA HIS A 20 4.218 -1.652 -7.730 1.00 0.00 C ATOM 272 C HIS A 20 4.796 -2.917 -7.102 1.00 0.00 C ATOM 273 O HIS A 20 4.415 -3.303 -5.998 1.00 0.00 O ATOM 274 CB HIS A 20 4.698 -0.421 -6.960 1.00 0.00 C ATOM 275 CG HIS A 20 4.692 0.835 -7.775 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.782 1.265 -8.504 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.720 1.755 -7.976 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.481 2.396 -9.116 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.235 2.715 -8.813 1.00 0.00 N ATOM 0 H HIS A 20 2.348 -2.261 -7.004 1.00 0.00 H new ATOM 0 HA HIS A 20 4.568 -1.586 -8.760 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.063 -0.280 -6.085 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.709 -0.602 -6.595 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.725 1.738 -7.557 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.141 2.964 -9.755 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.736 3.540 -9.146 1.00 0.00 H new ATOM 287 N GLY A 21 5.718 -3.558 -7.814 1.00 0.00 N ATOM 288 CA GLY A 21 6.332 -4.772 -7.311 1.00 0.00 C ATOM 289 C GLY A 21 7.840 -4.766 -7.465 1.00 0.00 C ATOM 290 O GLY A 21 8.565 -5.218 -6.578 1.00 0.00 O ATOM 0 H GLY A 21 6.050 -3.258 -8.730 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.078 -4.895 -6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.919 -5.631 -7.841 1.00 0.00 H new ATOM 294 N LYS A 22 8.316 -4.255 -8.596 1.00 0.00 N ATOM 295 CA LYS A 22 9.747 -4.192 -8.865 1.00 0.00 C ATOM 296 C LYS A 22 10.469 -3.388 -7.788 1.00 0.00 C ATOM 297 O LYS A 22 11.561 -3.756 -7.354 1.00 0.00 O ATOM 298 CB LYS A 22 10.001 -3.567 -10.239 1.00 0.00 C ATOM 299 CG LYS A 22 9.375 -2.194 -10.408 1.00 0.00 C ATOM 300 CD LYS A 22 9.655 -1.619 -11.786 1.00 0.00 C ATOM 301 CE LYS A 22 11.016 -0.943 -11.842 1.00 0.00 C ATOM 302 NZ LYS A 22 12.099 -1.903 -12.192 1.00 0.00 N ATOM 0 H LYS A 22 7.730 -3.878 -9.341 1.00 0.00 H new ATOM 0 HA LYS A 22 10.138 -5.209 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.076 -3.489 -10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.611 -4.232 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.298 -2.263 -10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.764 -1.519 -9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.612 -2.415 -12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.879 -0.899 -12.045 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.992 -0.139 -12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.234 -0.486 -10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.780 -1.958 -11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.688 -2.843 -12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.586 -1.579 -13.052 1.00 0.00 H new ATOM 316 N ILE A 23 9.851 -2.292 -7.361 1.00 0.00 N ATOM 317 CA ILE A 23 10.434 -1.439 -6.333 1.00 0.00 C ATOM 318 C ILE A 23 10.451 -2.142 -4.980 1.00 0.00 C ATOM 319 O ILE A 23 10.024 -3.291 -4.860 1.00 0.00 O ATOM 320 CB ILE A 23 9.664 -0.112 -6.200 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.257 -0.365 -5.655 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.598 0.599 -7.543 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.516 0.900 -5.285 1.00 0.00 C ATOM 0 H ILE A 23 8.947 -1.974 -7.711 1.00 0.00 H new ATOM 0 HA ILE A 23 11.457 -1.226 -6.642 1.00 0.00 H new ATOM 0 HB ILE A 23 10.195 0.530 -5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.679 -0.910 -6.402 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.326 -1.006 -4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.051 1.535 -7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.609 0.809 -7.894 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.087 -0.037 -8.266 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.526 0.644 -4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.072 1.435 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.415 1.533 -6.166 1.00 0.00 H new ATOM 335 N SER A 24 10.944 -1.444 -3.962 1.00 0.00 N ATOM 336 CA SER A 24 11.018 -2.001 -2.617 1.00 0.00 C ATOM 337 C SER A 24 10.260 -1.126 -1.624 1.00 0.00 C ATOM 338 O SER A 24 9.937 0.026 -1.913 1.00 0.00 O ATOM 339 CB SER A 24 12.478 -2.141 -2.179 1.00 0.00 C ATOM 340 OG SER A 24 13.056 -3.324 -2.703 1.00 0.00 O ATOM 0 H SER A 24 11.298 -0.491 -4.044 1.00 0.00 H new ATOM 0 HA SER A 24 10.555 -2.987 -2.634 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.047 -1.274 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.535 -2.156 -1.091 1.00 0.00 H new ATOM 0 HG SER A 24 13.989 -3.390 -2.410 1.00 0.00 H new ATOM 346 N LYS A 25 9.978 -1.682 -0.450 1.00 0.00 N ATOM 347 CA LYS A 25 9.258 -0.955 0.588 1.00 0.00 C ATOM 348 C LYS A 25 9.837 0.444 0.774 1.00 0.00 C ATOM 349 O LYS A 25 9.112 1.437 0.726 1.00 0.00 O ATOM 350 CB LYS A 25 9.317 -1.722 1.911 1.00 0.00 C ATOM 351 CG LYS A 25 8.633 -1.004 3.062 1.00 0.00 C ATOM 352 CD LYS A 25 8.534 -1.890 4.292 1.00 0.00 C ATOM 353 CE LYS A 25 7.983 -1.126 5.487 1.00 0.00 C ATOM 354 NZ LYS A 25 7.788 -2.011 6.669 1.00 0.00 N ATOM 0 H LYS A 25 10.238 -2.635 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 25 8.218 -0.861 0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.853 -2.699 1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.360 -1.899 2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.188 -0.099 3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.634 -0.692 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.891 -2.743 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.519 -2.287 4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.666 -0.317 5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.032 -0.666 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.412 -1.453 7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.117 -2.768 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.699 -2.430 6.943 1.00 0.00 H new ATOM 368 N GLN A 26 11.148 0.514 0.984 1.00 0.00 N ATOM 369 CA GLN A 26 11.823 1.792 1.175 1.00 0.00 C ATOM 370 C GLN A 26 11.551 2.732 0.006 1.00 0.00 C ATOM 371 O GLN A 26 10.950 3.792 0.178 1.00 0.00 O ATOM 372 CB GLN A 26 13.330 1.578 1.333 1.00 0.00 C ATOM 373 CG GLN A 26 13.744 1.176 2.739 1.00 0.00 C ATOM 374 CD GLN A 26 15.226 0.879 2.849 1.00 0.00 C ATOM 375 OE1 GLN A 26 15.784 0.135 2.041 1.00 0.00 O ATOM 376 NE2 GLN A 26 15.874 1.459 3.852 1.00 0.00 N ATOM 0 H GLN A 26 11.763 -0.299 1.026 1.00 0.00 H new ATOM 0 HA GLN A 26 11.430 2.249 2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.654 0.807 0.634 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.849 2.496 1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.485 1.976 3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.178 0.296 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.373 2.068 4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.873 1.295 3.976 1.00 0.00 H new ATOM 385 N GLU A 27 11.997 2.336 -1.182 1.00 0.00 N ATOM 386 CA GLU A 27 11.801 3.146 -2.379 1.00 0.00 C ATOM 387 C GLU A 27 10.413 3.779 -2.387 1.00 0.00 C ATOM 388 O GLU A 27 10.276 4.998 -2.473 1.00 0.00 O ATOM 389 CB GLU A 27 11.993 2.293 -3.635 1.00 0.00 C ATOM 390 CG GLU A 27 13.450 2.022 -3.971 1.00 0.00 C ATOM 391 CD GLU A 27 14.270 1.650 -2.751 1.00 0.00 C ATOM 392 OE1 GLU A 27 14.554 2.547 -1.930 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.628 0.461 -2.618 1.00 0.00 O ATOM 0 H GLU A 27 12.496 1.461 -1.341 1.00 0.00 H new ATOM 0 HA GLU A 27 12.544 3.944 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.477 1.342 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.521 2.795 -4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.507 1.215 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.882 2.907 -4.439 1.00 0.00 H new ATOM 400 N ALA A 28 9.386 2.939 -2.297 1.00 0.00 N ATOM 401 CA ALA A 28 8.009 3.416 -2.293 1.00 0.00 C ATOM 402 C ALA A 28 7.896 4.764 -1.590 1.00 0.00 C ATOM 403 O ALA A 28 7.326 5.712 -2.131 1.00 0.00 O ATOM 404 CB ALA A 28 7.099 2.394 -1.627 1.00 0.00 C ATOM 0 H ALA A 28 9.482 1.926 -2.226 1.00 0.00 H new ATOM 0 HA ALA A 28 7.694 3.548 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.073 2.763 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.148 1.452 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.423 2.234 -0.599 1.00 0.00 H new ATOM 410 N TYR A 29 8.443 4.844 -0.382 1.00 0.00 N ATOM 411 CA TYR A 29 8.401 6.076 0.397 1.00 0.00 C ATOM 412 C TYR A 29 8.982 7.242 -0.397 1.00 0.00 C ATOM 413 O TYR A 29 8.355 8.292 -0.527 1.00 0.00 O ATOM 414 CB TYR A 29 9.171 5.903 1.707 1.00 0.00 C ATOM 415 CG TYR A 29 8.317 5.402 2.850 1.00 0.00 C ATOM 416 CD1 TYR A 29 7.254 6.156 3.331 1.00 0.00 C ATOM 417 CD2 TYR A 29 8.573 4.175 3.449 1.00 0.00 C ATOM 418 CE1 TYR A 29 6.471 5.703 4.375 1.00 0.00 C ATOM 419 CE2 TYR A 29 7.795 3.713 4.492 1.00 0.00 C ATOM 420 CZ TYR A 29 6.745 4.481 4.952 1.00 0.00 C ATOM 421 OH TYR A 29 5.969 4.025 5.993 1.00 0.00 O ATOM 0 H TYR A 29 8.921 4.070 0.079 1.00 0.00 H new ATOM 0 HA TYR A 29 7.358 6.297 0.623 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.993 5.206 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.614 6.859 1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.036 7.113 2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.395 3.572 3.093 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.649 6.303 4.737 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.007 2.756 4.945 1.00 0.00 H new ATOM 0 HH TYR A 29 6.295 3.148 6.284 1.00 0.00 H new ATOM 431 N ASN A 30 10.185 7.047 -0.928 1.00 0.00 N ATOM 432 CA ASN A 30 10.852 8.081 -1.710 1.00 0.00 C ATOM 433 C ASN A 30 10.049 8.420 -2.962 1.00 0.00 C ATOM 434 O ASN A 30 9.805 9.591 -3.258 1.00 0.00 O ATOM 435 CB ASN A 30 12.260 7.626 -2.101 1.00 0.00 C ATOM 436 CG ASN A 30 13.269 7.848 -0.991 1.00 0.00 C ATOM 437 OD1 ASN A 30 12.923 7.828 0.190 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.524 8.060 -1.367 1.00 0.00 N ATOM 0 H ASN A 30 10.717 6.182 -0.831 1.00 0.00 H new ATOM 0 HA ASN A 30 10.925 8.977 -1.093 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.238 6.568 -2.361 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.579 8.167 -2.992 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.247 8.215 -0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.765 8.068 -2.358 1.00 0.00 H new ATOM 445 N LEU A 31 9.640 7.389 -3.692 1.00 0.00 N ATOM 446 CA LEU A 31 8.863 7.576 -4.913 1.00 0.00 C ATOM 447 C LEU A 31 7.716 8.556 -4.683 1.00 0.00 C ATOM 448 O LEU A 31 7.575 9.543 -5.407 1.00 0.00 O ATOM 449 CB LEU A 31 8.312 6.235 -5.401 1.00 0.00 C ATOM 450 CG LEU A 31 9.326 5.288 -6.044 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.915 3.840 -5.827 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.468 5.587 -7.529 1.00 0.00 C ATOM 0 H LEU A 31 9.833 6.415 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 31 9.524 7.989 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.853 5.724 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.519 6.431 -6.123 1.00 0.00 H new ATOM 0 HG LEU A 31 10.294 5.445 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.648 3.180 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.865 3.632 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.937 3.668 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.194 4.904 -7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.503 5.458 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.809 6.614 -7.662 1.00 0.00 H new ATOM 464 N LEU A 32 6.902 8.279 -3.671 1.00 0.00 N ATOM 465 CA LEU A 32 5.768 9.137 -3.344 1.00 0.00 C ATOM 466 C LEU A 32 6.235 10.549 -3.003 1.00 0.00 C ATOM 467 O LEU A 32 5.443 11.491 -2.998 1.00 0.00 O ATOM 468 CB LEU A 32 4.981 8.551 -2.172 1.00 0.00 C ATOM 469 CG LEU A 32 3.960 7.467 -2.523 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.518 6.725 -1.272 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.762 8.075 -3.237 1.00 0.00 C ATOM 0 H LEU A 32 7.006 7.467 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 32 5.119 9.189 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.690 8.136 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.459 9.364 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 32 4.434 6.752 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.792 5.958 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.383 6.257 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.062 7.427 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.046 7.290 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.287 8.812 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.093 8.560 -4.155 1.00 0.00 H new ATOM 483 N MET A 33 7.526 10.688 -2.721 1.00 0.00 N ATOM 484 CA MET A 33 8.099 11.985 -2.382 1.00 0.00 C ATOM 485 C MET A 33 8.705 12.650 -3.614 1.00 0.00 C ATOM 486 O MET A 33 8.871 13.870 -3.656 1.00 0.00 O ATOM 487 CB MET A 33 9.165 11.828 -1.296 1.00 0.00 C ATOM 488 CG MET A 33 8.614 11.940 0.116 1.00 0.00 C ATOM 489 SD MET A 33 8.631 13.633 0.737 1.00 0.00 S ATOM 490 CE MET A 33 7.749 14.482 -0.571 1.00 0.00 C ATOM 0 H MET A 33 8.195 9.918 -2.721 1.00 0.00 H new ATOM 0 HA MET A 33 7.298 12.621 -2.005 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.650 10.859 -1.412 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.933 12.588 -1.439 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.592 11.561 0.134 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.201 11.307 0.782 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.428 15.462 -0.217 1.00 0.00 H new ATOM 0 HE2 MET A 33 8.405 14.605 -1.432 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.876 13.897 -0.860 1.00 0.00 H new ATOM 500 N THR A 34 9.035 11.841 -4.616 1.00 0.00 N ATOM 501 CA THR A 34 9.625 12.350 -5.847 1.00 0.00 C ATOM 502 C THR A 34 8.667 12.192 -7.022 1.00 0.00 C ATOM 503 O THR A 34 8.069 13.164 -7.485 1.00 0.00 O ATOM 504 CB THR A 34 10.947 11.631 -6.177 1.00 0.00 C ATOM 505 OG1 THR A 34 10.727 10.219 -6.266 1.00 0.00 O ATOM 506 CG2 THR A 34 11.999 11.920 -5.117 1.00 0.00 C ATOM 0 H THR A 34 8.903 10.830 -4.599 1.00 0.00 H new ATOM 0 HA THR A 34 9.827 13.409 -5.686 1.00 0.00 H new ATOM 0 HB THR A 34 11.309 12.003 -7.136 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.527 9.862 -5.375 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.924 11.402 -5.371 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.185 12.993 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.643 11.572 -4.147 1.00 0.00 H new ATOM 514 N VAL A 35 8.523 10.960 -7.501 1.00 0.00 N ATOM 515 CA VAL A 35 7.635 10.673 -8.621 1.00 0.00 C ATOM 516 C VAL A 35 6.179 10.922 -8.246 1.00 0.00 C ATOM 517 O VAL A 35 5.321 11.082 -9.114 1.00 0.00 O ATOM 518 CB VAL A 35 7.789 9.218 -9.102 1.00 0.00 C ATOM 519 CG1 VAL A 35 9.233 8.932 -9.485 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.311 8.250 -8.030 1.00 0.00 C ATOM 0 H VAL A 35 9.011 10.144 -7.130 1.00 0.00 H new ATOM 0 HA VAL A 35 7.919 11.346 -9.430 1.00 0.00 H new ATOM 0 HB VAL A 35 7.169 9.079 -9.988 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.322 7.899 -9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.536 9.604 -10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.877 9.088 -8.619 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.427 7.226 -8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.903 8.388 -7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.261 8.441 -7.810 1.00 0.00 H new ATOM 530 N GLY A 36 5.906 10.953 -6.945 1.00 0.00 N ATOM 531 CA GLY A 36 4.551 11.183 -6.476 1.00 0.00 C ATOM 532 C GLY A 36 4.426 12.461 -5.670 1.00 0.00 C ATOM 533 O GLY A 36 5.423 12.998 -5.188 1.00 0.00 O ATOM 0 H GLY A 36 6.598 10.823 -6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.877 11.229 -7.331 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.233 10.339 -5.864 1.00 0.00 H new ATOM 537 N GLN A 37 3.198 12.949 -5.526 1.00 0.00 N ATOM 538 CA GLN A 37 2.947 14.173 -4.774 1.00 0.00 C ATOM 539 C GLN A 37 1.604 14.105 -4.055 1.00 0.00 C ATOM 540 O GLN A 37 0.903 13.095 -4.122 1.00 0.00 O ATOM 541 CB GLN A 37 2.978 15.385 -5.708 1.00 0.00 C ATOM 542 CG GLN A 37 4.380 15.906 -5.982 1.00 0.00 C ATOM 543 CD GLN A 37 4.382 17.142 -6.859 1.00 0.00 C ATOM 544 OE1 GLN A 37 3.779 18.160 -6.518 1.00 0.00 O ATOM 545 NE2 GLN A 37 5.062 17.061 -7.996 1.00 0.00 N ATOM 0 H GLN A 37 2.362 12.516 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 37 3.733 14.278 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.508 15.116 -6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.381 16.185 -5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.869 16.136 -5.036 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.967 15.123 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.547 16.198 -8.240 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.099 17.862 -8.626 1.00 0.00 H new ATOM 554 N VAL A 38 1.251 15.186 -3.368 1.00 0.00 N ATOM 555 CA VAL A 38 -0.009 15.250 -2.636 1.00 0.00 C ATOM 556 C VAL A 38 -1.140 14.609 -3.433 1.00 0.00 C ATOM 557 O VAL A 38 -1.223 14.771 -4.652 1.00 0.00 O ATOM 558 CB VAL A 38 -0.391 16.704 -2.301 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.488 16.738 -1.247 1.00 0.00 C ATOM 560 CG2 VAL A 38 0.831 17.482 -1.837 1.00 0.00 C ATOM 0 H VAL A 38 1.820 16.030 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 38 0.136 14.698 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.774 17.179 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.745 17.773 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.370 16.218 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.136 16.247 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.543 18.507 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.246 17.011 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.581 17.486 -2.628 1.00 0.00 H new ATOM 570 N CYS A 39 -2.009 13.883 -2.739 1.00 0.00 N ATOM 571 CA CYS A 39 -3.136 13.218 -3.382 1.00 0.00 C ATOM 572 C CYS A 39 -2.655 12.099 -4.300 1.00 0.00 C ATOM 573 O CYS A 39 -3.185 11.909 -5.395 1.00 0.00 O ATOM 574 CB CYS A 39 -3.964 14.227 -4.178 1.00 0.00 C ATOM 575 SG CYS A 39 -4.207 15.809 -3.338 1.00 0.00 S ATOM 0 H CYS A 39 -1.955 13.740 -1.731 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.761 12.781 -2.603 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.475 14.408 -5.135 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.939 13.790 -4.396 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.917 16.596 -4.091 1.00 0.00 H new ATOM 581 N SER A 40 -1.646 11.361 -3.847 1.00 0.00 N ATOM 582 CA SER A 40 -1.089 10.264 -4.630 1.00 0.00 C ATOM 583 C SER A 40 -1.047 8.979 -3.810 1.00 0.00 C ATOM 584 O SER A 40 -0.692 8.992 -2.631 1.00 0.00 O ATOM 585 CB SER A 40 0.317 10.619 -5.117 1.00 0.00 C ATOM 586 OG SER A 40 0.837 9.605 -5.958 1.00 0.00 O ATOM 0 H SER A 40 -1.198 11.503 -2.942 1.00 0.00 H new ATOM 0 HA SER A 40 -1.734 10.102 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.290 11.565 -5.657 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.977 10.760 -4.261 1.00 0.00 H new ATOM 0 HG SER A 40 1.179 10.008 -6.783 1.00 0.00 H new ATOM 592 N PHE A 41 -1.410 7.868 -4.443 1.00 0.00 N ATOM 593 CA PHE A 41 -1.415 6.573 -3.773 1.00 0.00 C ATOM 594 C PHE A 41 -0.748 5.510 -4.641 1.00 0.00 C ATOM 595 O PHE A 41 -0.556 5.703 -5.842 1.00 0.00 O ATOM 596 CB PHE A 41 -2.848 6.151 -3.442 1.00 0.00 C ATOM 597 CG PHE A 41 -3.518 5.384 -4.546 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.382 4.008 -4.633 1.00 0.00 C ATOM 599 CD2 PHE A 41 -4.283 6.040 -5.498 1.00 0.00 C ATOM 600 CE1 PHE A 41 -3.997 3.299 -5.648 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.900 5.336 -6.515 1.00 0.00 C ATOM 602 CZ PHE A 41 -4.756 3.964 -6.590 1.00 0.00 C ATOM 0 H PHE A 41 -1.705 7.839 -5.419 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.849 6.669 -2.846 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.839 5.540 -2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.438 7.040 -3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.788 3.483 -3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.398 7.113 -5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.884 2.226 -5.704 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.494 5.858 -7.250 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.237 3.412 -7.385 1.00 0.00 H new ATOM 612 N LEU A 42 -0.395 4.387 -4.024 1.00 0.00 N ATOM 613 CA LEU A 42 0.251 3.292 -4.738 1.00 0.00 C ATOM 614 C LEU A 42 0.097 1.979 -3.977 1.00 0.00 C ATOM 615 O LEU A 42 0.061 1.963 -2.747 1.00 0.00 O ATOM 616 CB LEU A 42 1.735 3.601 -4.950 1.00 0.00 C ATOM 617 CG LEU A 42 2.631 3.466 -3.719 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.891 2.001 -3.406 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.942 4.210 -3.929 1.00 0.00 C ATOM 0 H LEU A 42 -0.546 4.212 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.235 3.187 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.116 2.938 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.823 4.619 -5.329 1.00 0.00 H new ATOM 0 HG LEU A 42 2.116 3.912 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.531 1.925 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.944 1.497 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.385 1.529 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.567 4.103 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.462 3.794 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.737 5.266 -4.103 1.00 0.00 H new ATOM 631 N VAL A 43 0.008 0.879 -4.718 1.00 0.00 N ATOM 632 CA VAL A 43 -0.139 -0.440 -4.113 1.00 0.00 C ATOM 633 C VAL A 43 1.143 -1.253 -4.250 1.00 0.00 C ATOM 634 O VAL A 43 1.806 -1.216 -5.286 1.00 0.00 O ATOM 635 CB VAL A 43 -1.301 -1.223 -4.751 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.417 -2.607 -4.131 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.606 -0.454 -4.605 1.00 0.00 C ATOM 0 H VAL A 43 0.035 0.875 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.354 -0.282 -3.056 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.094 -1.343 -5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.244 -3.145 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.490 -3.157 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.601 -2.512 -3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.416 -1.022 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.821 -0.300 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.516 0.512 -5.101 1.00 0.00 H new ATOM 647 N ARG A 44 1.487 -1.987 -3.197 1.00 0.00 N ATOM 648 CA ARG A 44 2.690 -2.810 -3.199 1.00 0.00 C ATOM 649 C ARG A 44 2.515 -4.032 -2.303 1.00 0.00 C ATOM 650 O ARG A 44 1.761 -4.016 -1.329 1.00 0.00 O ATOM 651 CB ARG A 44 3.894 -1.990 -2.731 1.00 0.00 C ATOM 652 CG ARG A 44 3.863 -1.651 -1.250 1.00 0.00 C ATOM 653 CD ARG A 44 5.211 -1.142 -0.766 1.00 0.00 C ATOM 654 NE ARG A 44 5.375 -1.313 0.675 1.00 0.00 N ATOM 655 CZ ARG A 44 5.797 -2.440 1.239 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.095 -3.490 0.486 1.00 0.00 N ATOM 657 NH2 ARG A 44 5.921 -2.517 2.557 1.00 0.00 N ATOM 0 H ARG A 44 0.949 -2.028 -2.331 1.00 0.00 H new ATOM 0 HA ARG A 44 2.865 -3.151 -4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.807 -2.544 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.938 -1.065 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.100 -0.895 -1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.581 -2.536 -0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.007 -1.673 -1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.313 -0.087 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 44 5.153 -0.524 1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.001 -3.434 -0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.419 -4.354 0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.692 -1.711 3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.245 -3.382 2.989 1.00 0.00 H new ATOM 671 N PRO A 45 3.227 -5.119 -2.638 1.00 0.00 N ATOM 672 CA PRO A 45 3.167 -6.370 -1.876 1.00 0.00 C ATOM 673 C PRO A 45 3.819 -6.245 -0.504 1.00 0.00 C ATOM 674 O PRO A 45 4.763 -5.476 -0.322 1.00 0.00 O ATOM 675 CB PRO A 45 3.946 -7.355 -2.751 1.00 0.00 C ATOM 676 CG PRO A 45 4.873 -6.503 -3.547 1.00 0.00 C ATOM 677 CD PRO A 45 4.145 -5.209 -3.785 1.00 0.00 C ATOM 0 HA PRO A 45 2.140 -6.676 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.494 -8.076 -2.144 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.278 -7.924 -3.397 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.806 -6.333 -3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.132 -6.984 -4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.831 -4.362 -3.818 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.605 -5.220 -4.732 1.00 0.00 H new ATOM 685 N SER A 46 3.310 -7.007 0.460 1.00 0.00 N ATOM 686 CA SER A 46 3.842 -6.979 1.817 1.00 0.00 C ATOM 687 C SER A 46 5.052 -7.898 1.946 1.00 0.00 C ATOM 688 O SER A 46 5.049 -9.022 1.443 1.00 0.00 O ATOM 689 CB SER A 46 2.763 -7.395 2.819 1.00 0.00 C ATOM 690 OG SER A 46 3.206 -7.211 4.152 1.00 0.00 O ATOM 0 H SER A 46 2.530 -7.651 0.326 1.00 0.00 H new ATOM 0 HA SER A 46 4.158 -5.959 2.035 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.859 -6.810 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.500 -8.441 2.661 1.00 0.00 H new ATOM 0 HG SER A 46 2.498 -7.482 4.773 1.00 0.00 H new ATOM 757 N ASP A 52 0.384 -10.743 1.744 1.00 0.00 N ATOM 758 CA ASP A 52 -0.380 -9.582 2.184 1.00 0.00 C ATOM 759 C ASP A 52 -0.059 -8.363 1.326 1.00 0.00 C ATOM 760 O ASP A 52 0.957 -8.330 0.631 1.00 0.00 O ATOM 761 CB ASP A 52 -0.086 -9.279 3.654 1.00 0.00 C ATOM 762 CG ASP A 52 -0.891 -8.105 4.175 1.00 0.00 C ATOM 763 OD1 ASP A 52 -0.456 -6.951 3.975 1.00 0.00 O ATOM 764 OD2 ASP A 52 -1.956 -8.339 4.783 1.00 0.00 O ATOM 0 HA ASP A 52 -1.440 -9.812 2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.305 -10.162 4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.977 -9.069 3.773 1.00 0.00 H new ATOM 769 N TYR A 53 -0.931 -7.362 1.379 1.00 0.00 N ATOM 770 CA TYR A 53 -0.742 -6.142 0.604 1.00 0.00 C ATOM 771 C TYR A 53 -0.817 -4.910 1.500 1.00 0.00 C ATOM 772 O TYR A 53 -1.385 -4.956 2.591 1.00 0.00 O ATOM 773 CB TYR A 53 -1.795 -6.046 -0.502 1.00 0.00 C ATOM 774 CG TYR A 53 -1.570 -7.018 -1.638 1.00 0.00 C ATOM 775 CD1 TYR A 53 -0.475 -6.887 -2.484 1.00 0.00 C ATOM 776 CD2 TYR A 53 -2.452 -8.067 -1.867 1.00 0.00 C ATOM 777 CE1 TYR A 53 -0.265 -7.771 -3.524 1.00 0.00 C ATOM 778 CE2 TYR A 53 -2.249 -8.957 -2.904 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.155 -8.805 -3.729 1.00 0.00 C ATOM 780 OH TYR A 53 -0.950 -9.689 -4.764 1.00 0.00 O ATOM 0 H TYR A 53 -1.776 -7.372 1.951 1.00 0.00 H new ATOM 0 HA TYR A 53 0.249 -6.180 0.151 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.780 -6.226 -0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.801 -5.031 -0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.224 -6.079 -2.325 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.311 -8.189 -1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.590 -7.654 -4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.944 -9.768 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.666 -10.358 -4.770 1.00 0.00 H new ATOM 790 N SER A 54 -0.240 -3.808 1.031 1.00 0.00 N ATOM 791 CA SER A 54 -0.237 -2.563 1.790 1.00 0.00 C ATOM 792 C SER A 54 -0.275 -1.357 0.857 1.00 0.00 C ATOM 793 O SER A 54 0.501 -1.271 -0.097 1.00 0.00 O ATOM 794 CB SER A 54 1.001 -2.491 2.687 1.00 0.00 C ATOM 795 OG SER A 54 2.161 -2.910 1.989 1.00 0.00 O ATOM 0 H SER A 54 0.232 -3.752 0.128 1.00 0.00 H new ATOM 0 HA SER A 54 -1.130 -2.545 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.136 -1.470 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.855 -3.119 3.566 1.00 0.00 H new ATOM 0 HG SER A 54 2.110 -2.608 1.058 1.00 0.00 H new ATOM 801 N LEU A 55 -1.181 -0.428 1.137 1.00 0.00 N ATOM 802 CA LEU A 55 -1.322 0.774 0.323 1.00 0.00 C ATOM 803 C LEU A 55 -0.649 1.968 0.995 1.00 0.00 C ATOM 804 O LEU A 55 -0.578 2.044 2.221 1.00 0.00 O ATOM 805 CB LEU A 55 -2.801 1.079 0.079 1.00 0.00 C ATOM 806 CG LEU A 55 -3.110 2.003 -1.099 1.00 0.00 C ATOM 807 CD1 LEU A 55 -4.468 1.671 -1.696 1.00 0.00 C ATOM 808 CD2 LEU A 55 -3.060 3.460 -0.662 1.00 0.00 C ATOM 0 H LEU A 55 -1.830 -0.484 1.922 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.832 0.594 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.325 0.136 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.213 1.526 0.984 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.351 1.848 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.671 2.339 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.469 0.639 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.240 1.797 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.282 4.103 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.797 3.630 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.065 3.692 -0.282 1.00 0.00 H new ATOM 820 N TYR A 56 -0.159 2.898 0.183 1.00 0.00 N ATOM 821 CA TYR A 56 0.508 4.088 0.698 1.00 0.00 C ATOM 822 C TYR A 56 -0.075 5.352 0.074 1.00 0.00 C ATOM 823 O TYR A 56 -0.238 5.440 -1.143 1.00 0.00 O ATOM 824 CB TYR A 56 2.011 4.015 0.421 1.00 0.00 C ATOM 825 CG TYR A 56 2.721 2.940 1.211 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.424 1.596 1.015 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.687 3.266 2.155 1.00 0.00 C ATOM 828 CE1 TYR A 56 3.070 0.610 1.735 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.339 2.286 2.878 1.00 0.00 C ATOM 830 CZ TYR A 56 4.027 0.960 2.665 1.00 0.00 C ATOM 831 OH TYR A 56 4.673 -0.019 3.385 1.00 0.00 O ATOM 0 H TYR A 56 -0.211 2.851 -0.835 1.00 0.00 H new ATOM 0 HA TYR A 56 0.345 4.128 1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.167 3.836 -0.643 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.462 4.981 0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.676 1.318 0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.932 4.304 2.326 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.827 -0.429 1.571 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.089 2.557 3.606 1.00 0.00 H new ATOM 0 HH TYR A 56 5.317 0.396 3.996 1.00 0.00 H new ATOM 841 N PHE A 57 -0.388 6.330 0.918 1.00 0.00 N ATOM 842 CA PHE A 57 -0.953 7.590 0.451 1.00 0.00 C ATOM 843 C PHE A 57 -0.045 8.762 0.815 1.00 0.00 C ATOM 844 O PHE A 57 0.749 8.677 1.752 1.00 0.00 O ATOM 845 CB PHE A 57 -2.344 7.803 1.052 1.00 0.00 C ATOM 846 CG PHE A 57 -3.044 9.024 0.527 1.00 0.00 C ATOM 847 CD1 PHE A 57 -3.054 9.303 -0.830 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.690 9.894 1.391 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.697 10.426 -1.316 1.00 0.00 C ATOM 850 CE2 PHE A 57 -4.335 11.018 0.911 1.00 0.00 C ATOM 851 CZ PHE A 57 -4.338 11.285 -0.444 1.00 0.00 C ATOM 0 H PHE A 57 -0.260 6.274 1.928 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.037 7.541 -0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.958 6.926 0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.254 7.883 2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.554 8.635 -1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.689 9.691 2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.698 10.632 -2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.836 11.687 1.595 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.840 12.163 -0.821 1.00 0.00 H new ATOM 861 N ARG A 58 -0.169 9.853 0.066 1.00 0.00 N ATOM 862 CA ARG A 58 0.642 11.040 0.308 1.00 0.00 C ATOM 863 C ARG A 58 -0.237 12.232 0.678 1.00 0.00 C ATOM 864 O ARG A 58 -1.230 12.518 0.008 1.00 0.00 O ATOM 865 CB ARG A 58 1.477 11.374 -0.929 1.00 0.00 C ATOM 866 CG ARG A 58 2.170 12.725 -0.850 1.00 0.00 C ATOM 867 CD ARG A 58 3.495 12.628 -0.111 1.00 0.00 C ATOM 868 NE ARG A 58 3.964 13.934 0.346 1.00 0.00 N ATOM 869 CZ ARG A 58 5.018 14.101 1.137 1.00 0.00 C ATOM 870 NH1 ARG A 58 5.710 13.050 1.556 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.382 15.321 1.510 1.00 0.00 N ATOM 0 H ARG A 58 -0.822 9.939 -0.712 1.00 0.00 H new ATOM 0 HA ARG A 58 1.310 10.829 1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.229 10.597 -1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.832 11.357 -1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.340 13.107 -1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.521 13.439 -0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.385 11.963 0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.244 12.183 -0.766 1.00 0.00 H new ATOM 0 HE ARG A 58 3.454 14.763 0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.433 12.111 1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.519 13.181 2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.852 16.132 1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.191 15.448 2.117 1.00 0.00 H new ATOM 885 N THR A 59 0.135 12.924 1.751 1.00 0.00 N ATOM 886 CA THR A 59 -0.619 14.083 2.212 1.00 0.00 C ATOM 887 C THR A 59 0.312 15.187 2.698 1.00 0.00 C ATOM 888 O THR A 59 1.461 14.930 3.055 1.00 0.00 O ATOM 889 CB THR A 59 -1.589 13.707 3.348 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.851 13.321 4.513 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.506 12.570 2.923 1.00 0.00 C ATOM 0 H THR A 59 0.954 12.701 2.317 1.00 0.00 H new ATOM 0 HA THR A 59 -1.193 14.446 1.359 1.00 0.00 H new ATOM 0 HB THR A 59 -2.201 14.579 3.578 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.162 12.670 4.263 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.182 12.322 3.742 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.087 12.877 2.053 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.907 11.695 2.669 1.00 0.00 H new ATOM 899 N ASN A 60 -0.192 16.417 2.711 1.00 0.00 N ATOM 900 CA ASN A 60 0.597 17.561 3.155 1.00 0.00 C ATOM 901 C ASN A 60 1.306 17.256 4.470 1.00 0.00 C ATOM 902 O ASN A 60 2.484 17.570 4.638 1.00 0.00 O ATOM 903 CB ASN A 60 -0.299 18.791 3.319 1.00 0.00 C ATOM 904 CG ASN A 60 -1.016 18.810 4.655 1.00 0.00 C ATOM 905 OD1 ASN A 60 -1.983 17.915 4.820 1.00 0.00 O flip ATOM 906 ND2 ASN A 60 -0.703 19.619 5.528 1.00 0.00 N flip ATOM 0 H ASN A 60 -1.142 16.647 2.420 1.00 0.00 H new ATOM 0 HA ASN A 60 1.352 17.767 2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.305 19.693 3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.034 18.811 2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.047 20.289 5.357 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.193 19.619 6.422 1.00 0.00 H new ATOM 913 N GLU A 61 0.581 16.640 5.399 1.00 0.00 N ATOM 914 CA GLU A 61 1.142 16.292 6.699 1.00 0.00 C ATOM 915 C GLU A 61 2.284 15.291 6.549 1.00 0.00 C ATOM 916 O GLU A 61 3.441 15.609 6.817 1.00 0.00 O ATOM 917 CB GLU A 61 0.057 15.713 7.609 1.00 0.00 C ATOM 918 CG GLU A 61 -0.668 16.761 8.435 1.00 0.00 C ATOM 919 CD GLU A 61 0.283 17.707 9.143 1.00 0.00 C ATOM 920 OE1 GLU A 61 1.451 17.322 9.360 1.00 0.00 O ATOM 921 OE2 GLU A 61 -0.141 18.832 9.479 1.00 0.00 O ATOM 0 H GLU A 61 -0.395 16.372 5.275 1.00 0.00 H new ATOM 0 HA GLU A 61 1.537 17.202 7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.670 15.177 6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.509 14.983 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.330 17.335 7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.297 16.264 9.174 1.00 0.00 H new ATOM 928 N ASN A 62 1.947 14.079 6.119 1.00 0.00 N ATOM 929 CA ASN A 62 2.943 13.030 5.934 1.00 0.00 C ATOM 930 C ASN A 62 2.349 11.842 5.183 1.00 0.00 C ATOM 931 O ASN A 62 1.149 11.806 4.909 1.00 0.00 O ATOM 932 CB ASN A 62 3.488 12.571 7.288 1.00 0.00 C ATOM 933 CG ASN A 62 2.387 12.144 8.239 1.00 0.00 C ATOM 934 OD1 ASN A 62 1.319 12.755 8.285 1.00 0.00 O ATOM 935 ND2 ASN A 62 2.643 11.089 9.005 1.00 0.00 N ATOM 0 H ASN A 62 0.993 13.799 5.892 1.00 0.00 H new ATOM 0 HA ASN A 62 3.760 13.440 5.341 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.176 11.740 7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.061 13.381 7.740 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.940 10.755 9.665 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.542 10.613 8.933 1.00 0.00 H new ATOM 942 N ILE A 63 3.197 10.874 4.854 1.00 0.00 N ATOM 943 CA ILE A 63 2.756 9.684 4.136 1.00 0.00 C ATOM 944 C ILE A 63 2.150 8.660 5.089 1.00 0.00 C ATOM 945 O ILE A 63 2.790 8.240 6.052 1.00 0.00 O ATOM 946 CB ILE A 63 3.917 9.028 3.366 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.461 9.986 2.305 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.460 7.725 2.727 1.00 0.00 C ATOM 949 CD1 ILE A 63 5.746 9.512 1.664 1.00 0.00 C ATOM 0 H ILE A 63 4.193 10.890 5.073 1.00 0.00 H new ATOM 0 HA ILE A 63 1.997 10.008 3.424 1.00 0.00 H new ATOM 0 HB ILE A 63 4.718 8.803 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.707 10.123 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.630 10.962 2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.292 7.273 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.117 7.040 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.643 7.927 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.073 10.241 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.515 9.402 2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.577 8.551 1.179 1.00 0.00 H new ATOM 961 N GLN A 64 0.912 8.263 4.813 1.00 0.00 N ATOM 962 CA GLN A 64 0.219 7.287 5.646 1.00 0.00 C ATOM 963 C GLN A 64 0.438 5.871 5.122 1.00 0.00 C ATOM 964 O GLN A 64 1.086 5.673 4.095 1.00 0.00 O ATOM 965 CB GLN A 64 -1.277 7.599 5.698 1.00 0.00 C ATOM 966 CG GLN A 64 -1.589 9.002 6.192 1.00 0.00 C ATOM 967 CD GLN A 64 -3.028 9.155 6.644 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.713 8.169 6.920 1.00 0.00 O ATOM 969 NE2 GLN A 64 -3.496 10.396 6.722 1.00 0.00 N ATOM 0 H GLN A 64 0.368 8.602 4.019 1.00 0.00 H new ATOM 0 HA GLN A 64 0.630 7.350 6.653 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.701 7.471 4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.768 6.876 6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.924 9.248 7.020 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.384 9.717 5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.894 11.184 6.484 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.457 10.561 7.020 1.00 0.00 H new ATOM 978 N ARG A 65 -0.107 4.891 5.835 1.00 0.00 N ATOM 979 CA ARG A 65 0.030 3.494 5.443 1.00 0.00 C ATOM 980 C ARG A 65 -1.198 2.690 5.857 1.00 0.00 C ATOM 981 O ARG A 65 -1.685 2.814 6.982 1.00 0.00 O ATOM 982 CB ARG A 65 1.286 2.886 6.071 1.00 0.00 C ATOM 983 CG ARG A 65 1.575 1.468 5.606 1.00 0.00 C ATOM 984 CD ARG A 65 2.709 0.841 6.401 1.00 0.00 C ATOM 985 NE ARG A 65 2.774 -0.606 6.215 1.00 0.00 N ATOM 986 CZ ARG A 65 3.454 -1.420 7.014 1.00 0.00 C ATOM 987 NH1 ARG A 65 4.125 -0.931 8.048 1.00 0.00 N ATOM 988 NH2 ARG A 65 3.465 -2.726 6.780 1.00 0.00 N ATOM 0 H ARG A 65 -0.648 5.039 6.687 1.00 0.00 H new ATOM 0 HA ARG A 65 0.120 3.455 4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.142 3.518 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.177 2.888 7.156 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.677 0.860 5.710 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.833 1.477 4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.655 1.288 6.097 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.576 1.065 7.460 1.00 0.00 H new ATOM 0 HE ARG A 65 2.269 -1.014 5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.120 0.072 8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.647 -1.558 8.660 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.951 -3.106 5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.988 -3.350 7.395 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.696 1.865 4.942 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.869 1.042 5.211 1.00 0.00 C ATOM 1004 C PHE A 66 -2.530 -0.441 5.095 1.00 0.00 C ATOM 1005 O PHE A 66 -1.495 -0.813 4.543 1.00 0.00 O ATOM 1006 CB PHE A 66 -4.000 1.395 4.243 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.239 2.873 4.114 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -5.028 3.543 5.036 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -3.676 3.591 3.072 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -5.250 4.902 4.921 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -3.894 4.951 2.952 1.00 0.00 C ATOM 1012 CZ PHE A 66 -4.683 5.607 3.877 1.00 0.00 C ATOM 0 H PHE A 66 -1.305 1.749 4.007 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.197 1.244 6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.767 0.985 3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.919 0.914 4.579 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.474 2.997 5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.060 3.083 2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.866 5.412 5.646 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.448 5.500 2.136 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.856 6.669 3.784 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.411 -1.286 5.621 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.208 -2.729 5.578 1.00 0.00 C ATOM 1024 C LYS A 67 -4.418 -3.430 4.968 1.00 0.00 C ATOM 1025 O LYS A 67 -5.540 -3.287 5.454 1.00 0.00 O ATOM 1026 CB LYS A 67 -2.947 -3.271 6.985 1.00 0.00 C ATOM 1027 CG LYS A 67 -1.515 -3.084 7.453 1.00 0.00 C ATOM 1028 CD LYS A 67 -1.327 -1.751 8.157 1.00 0.00 C ATOM 1029 CE LYS A 67 -1.693 -1.843 9.631 1.00 0.00 C ATOM 1030 NZ LYS A 67 -0.662 -2.579 10.414 1.00 0.00 N ATOM 0 H LYS A 67 -4.273 -0.996 6.082 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.339 -2.930 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.617 -2.774 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.192 -4.333 7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.244 -3.895 8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.841 -3.143 6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.290 -1.429 8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.944 -0.993 7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.811 -0.839 10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.655 -2.345 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.819 -2.420 11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.730 -3.596 10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.284 -2.236 10.152 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.181 -4.189 3.903 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.251 -4.914 3.229 1.00 0.00 C ATOM 1046 C ILE A 68 -5.083 -6.420 3.394 1.00 0.00 C ATOM 1047 O ILE A 68 -4.189 -7.024 2.800 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.302 -4.576 1.727 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.485 -3.070 1.527 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.424 -5.346 1.048 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -5.068 -2.587 0.155 1.00 0.00 C ATOM 0 H ILE A 68 -3.258 -4.318 3.489 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.186 -4.602 3.695 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.357 -4.872 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.532 -2.815 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.906 -2.538 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.447 -5.096 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.254 -6.416 1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.377 -5.078 1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.225 -1.511 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.013 -2.811 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.665 -3.091 -0.605 1.00 0.00 H new ATOM 1063 N CYS A 69 -5.949 -7.022 4.202 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.898 -8.459 4.445 1.00 0.00 C ATOM 1065 C CYS A 69 -6.923 -9.192 3.587 1.00 0.00 C ATOM 1066 O CYS A 69 -8.037 -8.717 3.364 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.146 -8.757 5.924 1.00 0.00 C ATOM 1068 SG CYS A 69 -4.868 -8.116 7.031 1.00 0.00 S ATOM 0 H CYS A 69 -6.695 -6.537 4.700 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.904 -8.813 4.173 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.108 -8.333 6.213 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.220 -9.836 6.059 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.168 -8.416 8.260 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.540 -10.378 3.090 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.412 -11.202 2.247 1.00 0.00 C ATOM 1076 C PRO A 70 -8.580 -11.795 3.027 1.00 0.00 C ATOM 1077 O PRO A 70 -8.560 -11.843 4.258 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.481 -12.312 1.753 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.416 -12.403 2.790 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.228 -11.006 3.314 1.00 0.00 C ATOM 0 HA PRO A 70 -7.870 -10.623 1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.013 -13.257 1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.062 -12.072 0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.707 -13.084 3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.489 -12.788 2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.958 -11.006 4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.435 -10.481 2.782 1.00 0.00 H new ATOM 1088 N THR A 71 -9.600 -12.248 2.304 1.00 0.00 N ATOM 1089 CA THR A 71 -10.778 -12.838 2.928 1.00 0.00 C ATOM 1090 C THR A 71 -11.234 -14.082 2.175 1.00 0.00 C ATOM 1091 O THR A 71 -11.145 -14.163 0.950 1.00 0.00 O ATOM 1092 CB THR A 71 -11.943 -11.832 2.989 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.422 -11.555 1.668 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.507 -10.538 3.658 1.00 0.00 C ATOM 0 H THR A 71 -9.634 -12.217 1.285 1.00 0.00 H new ATOM 0 HA THR A 71 -10.493 -13.116 3.943 1.00 0.00 H new ATOM 0 HB THR A 71 -12.745 -12.275 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.663 -11.499 1.050 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.347 -9.844 3.689 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.172 -10.748 4.674 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.689 -10.093 3.091 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.736 -15.076 2.923 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.218 -16.335 2.346 1.00 0.00 C ATOM 1104 C PRO A 72 -13.505 -16.152 1.549 1.00 0.00 C ATOM 1105 O PRO A 72 -13.916 -17.040 0.803 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.469 -17.214 3.573 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.722 -16.253 4.683 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.873 -15.047 4.388 1.00 0.00 C ATOM 0 HA PRO A 72 -11.505 -16.759 1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.322 -17.874 3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.609 -17.849 3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.777 -15.984 4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.458 -16.690 5.646 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.349 -14.128 4.729 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.904 -15.107 4.883 1.00 0.00 H new ATOM 1116 N ASN A 73 -14.137 -14.994 1.712 1.00 0.00 N ATOM 1117 CA ASN A 73 -15.379 -14.695 1.008 1.00 0.00 C ATOM 1118 C ASN A 73 -15.094 -14.079 -0.359 1.00 0.00 C ATOM 1119 O ASN A 73 -15.941 -13.394 -0.931 1.00 0.00 O ATOM 1120 CB ASN A 73 -16.245 -13.746 1.838 1.00 0.00 C ATOM 1121 CG ASN A 73 -17.060 -14.475 2.888 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -17.584 -15.561 2.639 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -17.170 -13.880 4.070 1.00 0.00 N ATOM 0 H ASN A 73 -13.810 -14.248 2.325 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.918 -15.631 0.860 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.607 -13.009 2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.916 -13.199 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.706 -14.323 4.816 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.719 -12.980 4.232 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.895 -14.328 -0.876 1.00 0.00 N ATOM 1131 CA ASN A 74 -13.498 -13.798 -2.175 1.00 0.00 C ATOM 1132 C ASN A 74 -13.598 -12.276 -2.195 1.00 0.00 C ATOM 1133 O ASN A 74 -14.185 -11.695 -3.107 1.00 0.00 O ATOM 1134 CB ASN A 74 -14.374 -14.392 -3.281 1.00 0.00 C ATOM 1135 CG ASN A 74 -13.986 -15.817 -3.623 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -12.809 -16.123 -3.815 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -14.977 -16.697 -3.702 1.00 0.00 N ATOM 0 H ASN A 74 -13.182 -14.893 -0.415 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.460 -14.079 -2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.417 -14.368 -2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.296 -13.773 -4.175 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.777 -17.671 -3.930 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.938 -16.399 -3.535 1.00 0.00 H new ATOM 1144 N GLN A 75 -13.018 -11.637 -1.183 1.00 0.00 N ATOM 1145 CA GLN A 75 -13.041 -10.183 -1.085 1.00 0.00 C ATOM 1146 C GLN A 75 -11.753 -9.659 -0.460 1.00 0.00 C ATOM 1147 O GLN A 75 -10.832 -10.425 -0.175 1.00 0.00 O ATOM 1148 CB GLN A 75 -14.245 -9.726 -0.259 1.00 0.00 C ATOM 1149 CG GLN A 75 -15.581 -10.163 -0.838 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.142 -9.165 -1.832 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.226 -9.444 -3.029 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -16.529 -7.994 -1.341 1.00 0.00 N ATOM 0 H GLN A 75 -12.527 -12.104 -0.420 1.00 0.00 H new ATOM 0 HA GLN A 75 -13.125 -9.777 -2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.151 -10.119 0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -14.230 -8.639 -0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.462 -11.129 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -16.296 -10.303 -0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.441 -7.806 -0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.914 -7.283 -1.962 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.694 -8.348 -0.249 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.517 -7.721 0.341 1.00 0.00 C ATOM 1163 C PHE A 76 -10.912 -6.794 1.487 1.00 0.00 C ATOM 1164 O PHE A 76 -11.810 -5.965 1.347 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.744 -6.937 -0.721 1.00 0.00 C ATOM 1166 CG PHE A 76 -9.140 -7.806 -1.786 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -9.935 -8.376 -2.768 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -7.777 -8.053 -1.807 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -9.382 -9.177 -3.749 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -7.218 -8.853 -2.786 1.00 0.00 C ATOM 1171 CZ PHE A 76 -8.021 -9.415 -3.759 1.00 0.00 C ATOM 0 H PHE A 76 -12.447 -7.700 -0.478 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.877 -8.509 0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.414 -6.216 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.952 -6.367 -0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.999 -8.192 -2.766 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.144 -7.615 -1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.013 -9.617 -4.507 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.154 -9.038 -2.790 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.586 -10.039 -4.526 1.00 0.00 H new ATOM 1181 N MET A 77 -10.233 -6.941 2.621 1.00 0.00 N ATOM 1182 CA MET A 77 -10.513 -6.117 3.791 1.00 0.00 C ATOM 1183 C MET A 77 -9.436 -5.053 3.976 1.00 0.00 C ATOM 1184 O MET A 77 -8.245 -5.362 4.013 1.00 0.00 O ATOM 1185 CB MET A 77 -10.605 -6.989 5.045 1.00 0.00 C ATOM 1186 CG MET A 77 -12.005 -7.515 5.317 1.00 0.00 C ATOM 1187 SD MET A 77 -12.102 -8.477 6.838 1.00 0.00 S ATOM 1188 CE MET A 77 -11.049 -7.511 7.918 1.00 0.00 C ATOM 0 H MET A 77 -9.486 -7.623 2.754 1.00 0.00 H new ATOM 0 HA MET A 77 -11.469 -5.618 3.633 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.922 -7.832 4.942 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.269 -6.410 5.906 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.699 -6.676 5.377 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.325 -8.134 4.479 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.238 -7.789 8.955 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.004 -7.704 7.675 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.263 -6.451 7.782 1.00 0.00 H new ATOM 1198 N MET A 78 -9.862 -3.800 4.090 1.00 0.00 N ATOM 1199 CA MET A 78 -8.933 -2.690 4.272 1.00 0.00 C ATOM 1200 C MET A 78 -9.224 -1.945 5.571 1.00 0.00 C ATOM 1201 O MET A 78 -8.351 -1.807 6.427 1.00 0.00 O ATOM 1202 CB MET A 78 -9.018 -1.726 3.087 1.00 0.00 C ATOM 1203 CG MET A 78 -7.852 -0.754 3.009 1.00 0.00 C ATOM 1204 SD MET A 78 -7.807 0.154 1.452 1.00 0.00 S ATOM 1205 CE MET A 78 -7.336 1.784 2.025 1.00 0.00 C ATOM 0 H MET A 78 -10.844 -3.527 4.060 1.00 0.00 H new ATOM 0 HA MET A 78 -7.924 -3.099 4.327 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.062 -2.302 2.163 1.00 0.00 H new ATOM 0 HB3 MET A 78 -9.948 -1.161 3.155 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.918 -0.047 3.836 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.918 -1.302 3.132 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.722 2.272 1.268 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.231 2.379 2.206 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.767 1.694 2.951 1.00 0.00 H new ATOM 1215 N GLY A 79 -10.456 -1.467 5.711 1.00 0.00 N ATOM 1216 CA GLY A 79 -10.839 -0.741 6.908 1.00 0.00 C ATOM 1217 C GLY A 79 -12.078 -1.318 7.564 1.00 0.00 C ATOM 1218 O GLY A 79 -12.995 -0.584 7.927 1.00 0.00 O ATOM 0 H GLY A 79 -11.196 -1.569 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.013 -0.758 7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.019 0.304 6.654 1.00 0.00 H new ATOM 1222 N GLY A 80 -12.105 -2.639 7.715 1.00 0.00 N ATOM 1223 CA GLY A 80 -13.246 -3.291 8.330 1.00 0.00 C ATOM 1224 C GLY A 80 -14.383 -3.514 7.353 1.00 0.00 C ATOM 1225 O GLY A 80 -15.485 -3.894 7.748 1.00 0.00 O ATOM 0 H GLY A 80 -11.358 -3.268 7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.933 -4.250 8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.601 -2.685 9.164 1.00 0.00 H new ATOM 1229 N ARG A 81 -14.117 -3.275 6.073 1.00 0.00 N ATOM 1230 CA ARG A 81 -15.127 -3.449 5.037 1.00 0.00 C ATOM 1231 C ARG A 81 -14.674 -4.474 4.002 1.00 0.00 C ATOM 1232 O ARG A 81 -13.486 -4.781 3.896 1.00 0.00 O ATOM 1233 CB ARG A 81 -15.421 -2.113 4.352 1.00 0.00 C ATOM 1234 CG ARG A 81 -16.499 -1.297 5.045 1.00 0.00 C ATOM 1235 CD ARG A 81 -15.905 -0.356 6.082 1.00 0.00 C ATOM 1236 NE ARG A 81 -15.530 0.931 5.502 1.00 0.00 N ATOM 1237 CZ ARG A 81 -15.042 1.942 6.212 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -14.871 1.817 7.520 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -14.723 3.082 5.612 1.00 0.00 N ATOM 0 H ARG A 81 -13.210 -2.960 5.729 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.038 -3.815 5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.503 -1.526 4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.726 -2.302 3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.053 -0.721 4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.212 -1.967 5.526 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.627 -0.196 6.882 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.028 -0.820 6.532 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.649 1.060 4.497 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.114 0.942 7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.496 2.595 8.062 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.853 3.182 4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.348 3.858 6.158 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.627 -5.001 3.242 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.327 -5.995 2.218 1.00 0.00 C ATOM 1255 C TYR A 82 -15.591 -5.436 0.823 1.00 0.00 C ATOM 1256 O TYR A 82 -16.713 -5.046 0.500 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.163 -7.256 2.440 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.414 -7.567 3.899 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.362 -7.857 4.759 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.703 -7.571 4.416 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.587 -8.141 6.092 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.938 -7.853 5.748 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.876 -8.138 6.582 1.00 0.00 C ATOM 1264 OH TYR A 82 -17.105 -8.421 7.909 1.00 0.00 O ATOM 0 H TYR A 82 -16.615 -4.756 3.316 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.270 -6.250 2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.120 -7.141 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.656 -8.104 1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.351 -7.860 4.379 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.536 -7.350 3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.758 -8.364 6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.947 -7.850 6.134 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.067 -8.376 8.092 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.549 -5.401 0.000 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.665 -4.889 -1.360 1.00 0.00 C ATOM 1276 C TYR A 83 -14.435 -5.999 -2.382 1.00 0.00 C ATOM 1277 O TYR A 83 -13.927 -7.068 -2.049 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.665 -3.755 -1.588 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.783 -2.632 -0.583 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.515 -2.847 0.764 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.164 -1.356 -0.979 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -13.622 -1.824 1.686 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -14.272 -0.327 -0.063 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.001 -0.566 1.267 1.00 0.00 C ATOM 1285 OH TYR A 83 -14.109 0.456 2.182 1.00 0.00 O ATOM 0 H TYR A 83 -13.614 -5.721 0.251 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.676 -4.504 -1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.654 -4.160 -1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.809 -3.351 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.218 -3.831 1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -14.379 -1.165 -2.020 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.410 -2.008 2.729 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -14.567 0.660 -0.388 1.00 0.00 H new ATOM 0 HH TYR A 83 -14.385 1.277 1.724 1.00 0.00 H new ATOM 1295 N ASN A 84 -14.813 -5.734 -3.628 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.648 -6.709 -4.700 1.00 0.00 C ATOM 1297 C ASN A 84 -13.171 -6.993 -4.955 1.00 0.00 C ATOM 1298 O ASN A 84 -12.746 -8.148 -4.979 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.310 -6.203 -5.984 1.00 0.00 C ATOM 1300 CG ASN A 84 -16.814 -6.395 -5.973 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -17.508 -5.896 -5.086 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -17.325 -7.120 -6.960 1.00 0.00 N ATOM 0 H ASN A 84 -15.235 -4.853 -3.920 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.130 -7.636 -4.391 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.082 -5.145 -6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.886 -6.728 -6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -18.331 -7.283 -7.005 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -16.712 -7.514 -7.674 1.00 0.00 H new ATOM 1309 N SER A 85 -12.393 -5.932 -5.142 1.00 0.00 N ATOM 1310 CA SER A 85 -10.964 -6.067 -5.398 1.00 0.00 C ATOM 1311 C SER A 85 -10.258 -4.721 -5.264 1.00 0.00 C ATOM 1312 O SER A 85 -10.891 -3.666 -5.336 1.00 0.00 O ATOM 1313 CB SER A 85 -10.726 -6.643 -6.795 1.00 0.00 C ATOM 1314 OG SER A 85 -9.342 -6.799 -7.054 1.00 0.00 O ATOM 0 H SER A 85 -12.728 -4.969 -5.121 1.00 0.00 H new ATOM 0 HA SER A 85 -10.551 -6.750 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.227 -7.607 -6.884 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.167 -5.984 -7.543 1.00 0.00 H new ATOM 0 HG SER A 85 -9.217 -7.170 -7.952 1.00 0.00 H new ATOM 1320 N ILE A 86 -8.945 -4.765 -5.068 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.153 -3.550 -4.925 1.00 0.00 C ATOM 1322 C ILE A 86 -8.604 -2.480 -5.913 1.00 0.00 C ATOM 1323 O ILE A 86 -8.876 -1.343 -5.531 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.653 -3.828 -5.136 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.144 -4.824 -4.092 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -5.860 -2.531 -5.069 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.708 -5.246 -4.309 1.00 0.00 C ATOM 0 H ILE A 86 -8.407 -5.629 -5.005 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.308 -3.190 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.515 -4.265 -6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.238 -4.379 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.780 -5.709 -4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.802 -2.743 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.208 -1.851 -5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.001 -2.068 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.415 -5.952 -3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.612 -5.720 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.061 -4.370 -4.266 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.683 -2.853 -7.187 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.103 -1.915 -8.210 1.00 0.00 C ATOM 1341 C GLY A 87 -10.295 -1.082 -7.779 1.00 0.00 C ATOM 1342 O GLY A 87 -10.244 0.147 -7.807 1.00 0.00 O ATOM 0 H GLY A 87 -8.463 -3.789 -7.528 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.272 -1.254 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.355 -2.462 -9.119 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.370 -1.753 -7.382 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.581 -1.068 -6.944 1.00 0.00 C ATOM 1348 C ASP A 88 -12.283 -0.132 -5.776 1.00 0.00 C ATOM 1349 O ASP A 88 -12.537 1.070 -5.851 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.650 -2.084 -6.539 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.993 -1.434 -6.270 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -15.377 -0.525 -7.036 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.661 -1.836 -5.295 1.00 0.00 O ATOM 0 H ASP A 88 -11.428 -2.771 -7.354 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.954 -0.473 -7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.760 -2.826 -7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.322 -2.616 -5.646 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.744 -0.692 -4.698 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.412 0.092 -3.516 1.00 0.00 C ATOM 1360 C ILE A 89 -10.887 1.471 -3.900 1.00 0.00 C ATOM 1361 O ILE A 89 -11.343 2.488 -3.377 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.361 -0.620 -2.644 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.891 -1.976 -2.173 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -9.982 0.249 -1.454 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.860 -2.808 -1.444 1.00 0.00 C ATOM 0 H ILE A 89 -11.528 -1.686 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.333 0.203 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.467 -0.789 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.746 -1.815 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.253 -2.535 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.238 -0.268 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.568 1.192 -1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.868 0.447 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.306 -3.755 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.015 -3.001 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.515 -2.269 -0.562 1.00 0.00 H new ATOM 1377 N ILE A 90 -9.927 1.498 -4.819 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.342 2.752 -5.276 1.00 0.00 C ATOM 1379 C ILE A 90 -10.409 3.683 -5.841 1.00 0.00 C ATOM 1380 O ILE A 90 -10.631 4.777 -5.322 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.265 2.513 -6.350 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.104 1.703 -5.768 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -7.767 3.839 -6.906 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -6.357 0.889 -6.801 1.00 0.00 C ATOM 0 H ILE A 90 -9.538 0.665 -5.261 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.879 3.219 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.708 1.943 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.406 2.383 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.489 1.034 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.006 3.653 -7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.600 4.382 -7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.338 4.434 -6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.548 0.341 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.041 0.184 -7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.942 1.554 -7.558 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.069 3.240 -6.905 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.116 4.032 -7.540 1.00 0.00 C ATOM 1398 C ASP A 91 -13.141 4.502 -6.512 1.00 0.00 C ATOM 1399 O ASP A 91 -13.385 5.700 -6.367 1.00 0.00 O ATOM 1400 CB ASP A 91 -12.809 3.217 -8.633 1.00 0.00 C ATOM 1401 CG ASP A 91 -13.725 4.065 -9.494 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -13.209 4.904 -10.261 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -14.959 3.890 -9.400 1.00 0.00 O ATOM 0 H ASP A 91 -10.898 2.336 -7.346 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.651 4.909 -7.991 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.055 2.746 -9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -13.387 2.415 -8.173 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.737 3.551 -5.801 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.736 3.867 -4.786 1.00 0.00 C ATOM 1410 C HIS A 92 -14.229 4.957 -3.846 1.00 0.00 C ATOM 1411 O HIS A 92 -15.014 5.731 -3.297 1.00 0.00 O ATOM 1412 CB HIS A 92 -15.097 2.615 -3.987 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.460 2.670 -3.369 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.827 3.620 -2.439 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.548 1.887 -3.554 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -18.081 3.418 -2.078 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -18.542 2.372 -2.740 1.00 0.00 N ATOM 0 H HIS A 92 -13.546 2.555 -5.909 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.629 4.234 -5.292 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.040 1.746 -4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.356 2.470 -3.201 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.621 1.039 -4.218 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -18.635 4.008 -1.363 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -19.483 1.987 -2.660 1.00 0.00 H new ATOM 1425 N TYR A 93 -12.914 5.011 -3.666 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.303 6.003 -2.790 1.00 0.00 C ATOM 1427 C TYR A 93 -12.210 7.359 -3.484 1.00 0.00 C ATOM 1428 O TYR A 93 -12.294 8.405 -2.841 1.00 0.00 O ATOM 1429 CB TYR A 93 -10.910 5.543 -2.357 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.909 4.738 -1.077 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.636 5.157 0.031 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.182 3.559 -0.976 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.637 4.425 1.203 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -10.179 2.819 0.192 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.907 3.257 1.278 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.907 2.525 2.443 1.00 0.00 O ATOM 0 H TYR A 93 -12.251 4.379 -4.115 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.934 6.109 -1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.471 4.943 -3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.272 6.417 -2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.210 6.070 -0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.609 3.214 -1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.206 4.765 2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.610 1.903 0.253 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.345 1.730 2.330 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.037 7.331 -4.801 1.00 0.00 N ATOM 1447 CA ARG A 94 -11.932 8.556 -5.584 1.00 0.00 C ATOM 1448 C ARG A 94 -12.953 9.590 -5.116 1.00 0.00 C ATOM 1449 O ARG A 94 -12.639 10.772 -4.981 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.138 8.257 -7.070 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.163 7.232 -7.625 1.00 0.00 C ATOM 1452 CD ARG A 94 -9.816 7.860 -7.945 1.00 0.00 C ATOM 1453 NE ARG A 94 -8.874 6.888 -8.492 1.00 0.00 N ATOM 1454 CZ ARG A 94 -7.847 7.215 -9.268 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -7.630 8.484 -9.586 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -7.033 6.273 -9.727 1.00 0.00 N ATOM 0 H ARG A 94 -11.967 6.473 -5.348 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.932 8.965 -5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.156 7.898 -7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.039 9.184 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -11.028 6.428 -6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.580 6.783 -8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.955 8.671 -8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.397 8.300 -7.040 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.012 5.903 -8.266 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.253 9.211 -9.234 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.841 8.733 -10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.196 5.296 -9.484 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.245 6.526 -10.323 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.178 9.135 -4.872 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.246 10.018 -4.419 1.00 0.00 C ATOM 1472 C LYS A 95 -15.369 9.987 -2.898 1.00 0.00 C ATOM 1473 O LYS A 95 -15.944 10.893 -2.295 1.00 0.00 O ATOM 1474 CB LYS A 95 -16.576 9.612 -5.057 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.175 8.348 -4.464 1.00 0.00 C ATOM 1476 CD LYS A 95 -18.233 7.751 -5.377 1.00 0.00 C ATOM 1477 CE LYS A 95 -19.607 8.338 -5.095 1.00 0.00 C ATOM 1478 NZ LYS A 95 -19.873 9.550 -5.918 1.00 0.00 N ATOM 0 H LYS A 95 -14.455 8.159 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.998 11.034 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.288 10.429 -4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.426 9.466 -6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.386 7.616 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.616 8.574 -3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.964 7.935 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.263 6.670 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -20.371 7.587 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.683 8.593 -4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -20.897 9.732 -5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -19.388 10.368 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -19.520 9.398 -6.884 1.00 0.00 H new ATOM 1492 N GLU A 96 -14.824 8.941 -2.286 1.00 0.00 N ATOM 1493 CA GLU A 96 -14.873 8.794 -0.836 1.00 0.00 C ATOM 1494 C GLU A 96 -13.535 9.169 -0.206 1.00 0.00 C ATOM 1495 O GLU A 96 -12.519 8.519 -0.450 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.243 7.358 -0.459 1.00 0.00 C ATOM 1497 CG GLU A 96 -16.696 7.011 -0.734 1.00 0.00 C ATOM 1498 CD GLU A 96 -17.603 7.326 0.440 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.945 8.513 0.625 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -17.972 6.385 1.174 1.00 0.00 O ATOM 0 H GLU A 96 -14.344 8.183 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.637 9.470 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.603 6.670 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.036 7.205 0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.038 7.562 -1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.773 5.951 -0.974 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.544 10.222 0.605 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.331 10.685 1.269 1.00 0.00 C ATOM 1509 C GLN A 97 -11.656 9.545 2.024 1.00 0.00 C ATOM 1510 O GLN A 97 -11.992 9.264 3.175 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.656 11.828 2.232 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.363 12.999 1.570 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.803 14.055 2.566 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -14.625 13.792 3.444 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -13.256 15.257 2.434 1.00 0.00 N ATOM 0 H GLN A 97 -14.377 10.770 0.818 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.644 11.048 0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.282 11.446 3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.731 12.183 2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.697 13.453 0.836 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.234 12.632 1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.579 15.430 1.691 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.513 16.007 3.075 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.702 8.892 1.369 1.00 0.00 N ATOM 1525 CA ILE A 98 -9.979 7.783 1.979 1.00 0.00 C ATOM 1526 C ILE A 98 -9.294 8.217 3.271 1.00 0.00 C ATOM 1527 O ILE A 98 -8.897 7.384 4.086 1.00 0.00 O ATOM 1528 CB ILE A 98 -8.921 7.205 1.020 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.238 5.990 1.652 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -7.895 8.269 0.660 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.232 5.321 0.741 1.00 0.00 C ATOM 0 H ILE A 98 -10.412 9.112 0.416 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.716 7.011 2.202 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.418 6.883 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.736 6.301 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.999 5.263 1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.154 7.845 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.395 9.107 0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.400 8.618 1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.787 4.468 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.733 4.979 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.450 6.033 0.477 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.161 9.527 3.452 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.527 10.073 4.646 1.00 0.00 C ATOM 1545 C VAL A 99 -9.431 11.092 5.331 1.00 0.00 C ATOM 1546 O VAL A 99 -10.528 11.382 4.854 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.181 10.741 4.311 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.229 10.648 5.494 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.566 10.109 3.072 1.00 0.00 C ATOM 0 H VAL A 99 -9.484 10.230 2.787 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.350 9.236 5.322 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.361 11.795 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.283 11.125 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.668 11.151 6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.052 9.600 5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.615 10.594 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.399 9.047 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.242 10.233 2.226 1.00 0.00 H new ATOM 1559 N GLU A 100 -8.962 11.633 6.451 1.00 0.00 N ATOM 1560 CA GLU A 100 -9.730 12.620 7.201 1.00 0.00 C ATOM 1561 C GLU A 100 -10.408 13.612 6.261 1.00 0.00 C ATOM 1562 O GLU A 100 -11.448 14.182 6.587 1.00 0.00 O ATOM 1563 CB GLU A 100 -8.822 13.368 8.180 1.00 0.00 C ATOM 1564 CG GLU A 100 -7.871 14.342 7.505 1.00 0.00 C ATOM 1565 CD GLU A 100 -6.733 14.769 8.412 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -6.973 15.593 9.319 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -5.601 14.279 8.214 1.00 0.00 O ATOM 0 H GLU A 100 -8.055 11.405 6.859 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.502 12.092 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.441 13.913 8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.242 12.643 8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.461 13.880 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.426 15.224 7.185 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.810 13.812 5.090 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.369 14.735 4.120 1.00 0.00 C ATOM 1576 C GLY A 101 -9.537 14.823 2.856 1.00 0.00 C ATOM 1577 O GLY A 101 -9.224 15.917 2.385 1.00 0.00 O ATOM 0 H GLY A 101 -8.949 13.351 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.380 14.420 3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.448 15.725 4.569 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.175 13.669 2.307 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.370 13.619 1.092 1.00 0.00 C ATOM 1583 C TYR A 102 -8.934 12.600 0.106 1.00 0.00 C ATOM 1584 O TYR A 102 -9.307 11.491 0.488 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.920 13.271 1.430 1.00 0.00 C ATOM 1586 CG TYR A 102 -6.087 14.468 1.831 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.082 14.927 3.143 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.305 15.138 0.899 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.323 16.020 3.513 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.542 16.232 1.261 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.555 16.669 2.569 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.797 17.758 2.934 1.00 0.00 O ATOM 0 H TYR A 102 -9.426 12.755 2.684 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.401 14.604 0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.910 12.543 2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.460 12.792 0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.681 14.421 3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.293 14.798 -0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.331 16.365 4.536 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.939 16.742 0.524 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.240 17.525 3.705 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.991 12.985 -1.164 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.510 12.107 -2.206 1.00 0.00 C ATOM 1604 C TYR A 103 -8.375 11.523 -3.041 1.00 0.00 C ATOM 1605 O TYR A 103 -7.235 11.985 -2.971 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.482 12.870 -3.108 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.716 13.363 -2.387 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.740 12.490 -2.044 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -11.857 14.704 -2.048 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.870 12.937 -1.386 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -12.982 15.159 -1.389 1.00 0.00 C ATOM 1612 CZ TYR A 103 -13.986 14.272 -1.061 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.109 14.721 -0.404 1.00 0.00 O ATOM 0 H TYR A 103 -8.684 13.899 -1.497 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.041 11.287 -1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.964 13.722 -3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.786 12.222 -3.930 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -12.652 11.443 -2.296 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.073 15.402 -2.304 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.658 12.245 -1.128 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -13.075 16.204 -1.132 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.033 15.686 -0.248 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.695 10.505 -3.833 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.703 9.857 -4.684 1.00 0.00 C ATOM 1625 C LEU A 104 -7.633 10.532 -6.050 1.00 0.00 C ATOM 1626 O LEU A 104 -8.438 10.248 -6.937 1.00 0.00 O ATOM 1627 CB LEU A 104 -8.038 8.374 -4.852 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.743 7.479 -3.647 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -8.147 6.042 -3.939 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.271 7.556 -3.273 1.00 0.00 C ATOM 0 H LEU A 104 -9.633 10.111 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.730 9.951 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.097 8.286 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.483 7.991 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.331 7.835 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.930 5.419 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.214 6.001 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.587 5.674 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.080 6.913 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.664 7.226 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.013 8.585 -3.021 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.664 11.426 -6.213 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.486 12.140 -7.472 1.00 0.00 C ATOM 1644 C LYS A 105 -5.952 11.208 -8.555 1.00 0.00 C ATOM 1645 O LYS A 105 -6.621 10.963 -9.559 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.528 13.319 -7.282 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.167 14.519 -6.605 1.00 0.00 C ATOM 1648 CD LYS A 105 -6.993 15.337 -7.583 1.00 0.00 C ATOM 1649 CE LYS A 105 -7.364 16.693 -7.002 1.00 0.00 C ATOM 1650 NZ LYS A 105 -8.336 17.419 -7.865 1.00 0.00 N ATOM 0 H LYS A 105 -5.990 11.674 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.459 12.517 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.674 12.990 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.143 13.624 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.801 14.181 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.391 15.148 -6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.432 15.477 -8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.900 14.790 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.791 16.558 -6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.464 17.296 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.563 18.338 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.919 17.571 -8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.205 16.856 -7.958 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.746 10.691 -8.344 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.125 9.786 -9.303 1.00 0.00 C ATOM 1666 C GLU A 106 -2.927 9.074 -8.682 1.00 0.00 C ATOM 1667 O GLU A 106 -2.158 9.653 -7.915 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.686 10.553 -10.552 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.625 11.605 -10.278 1.00 0.00 C ATOM 1670 CD GLU A 106 -2.020 12.169 -11.549 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -2.679 13.009 -12.198 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -0.888 11.771 -11.895 1.00 0.00 O ATOM 0 H GLU A 106 -4.180 10.883 -7.518 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.864 9.037 -9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.303 9.845 -11.287 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.557 11.034 -10.997 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.065 12.417 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.835 11.168 -9.667 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.763 7.786 -9.021 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.661 6.967 -8.509 1.00 0.00 C ATOM 1681 C PRO A 107 -0.311 7.390 -9.078 1.00 0.00 C ATOM 1682 O PRO A 107 -0.237 8.253 -9.952 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.020 5.555 -8.979 1.00 0.00 C ATOM 1684 CG PRO A 107 -2.874 5.762 -10.181 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.641 7.032 -9.931 1.00 0.00 C ATOM 0 HA PRO A 107 -1.555 7.057 -7.428 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.127 4.980 -9.222 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.553 5.004 -8.205 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.266 5.844 -11.082 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.551 4.920 -10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.826 7.579 -10.856 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.613 6.833 -9.479 1.00 0.00 H new ATOM 1693 N VAL A 108 0.757 6.776 -8.576 1.00 0.00 N ATOM 1694 CA VAL A 108 2.104 7.088 -9.036 1.00 0.00 C ATOM 1695 C VAL A 108 2.456 6.294 -10.288 1.00 0.00 C ATOM 1696 O VAL A 108 2.151 5.107 -10.407 1.00 0.00 O ATOM 1697 CB VAL A 108 3.151 6.795 -7.945 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.553 7.094 -8.455 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.850 7.598 -6.688 1.00 0.00 C ATOM 0 H VAL A 108 0.714 6.060 -7.851 1.00 0.00 H new ATOM 0 HA VAL A 108 2.120 8.153 -9.269 1.00 0.00 H new ATOM 0 HB VAL A 108 3.100 5.736 -7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.279 6.881 -7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.765 6.471 -9.324 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.621 8.145 -8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.600 7.379 -5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.872 8.662 -6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.863 7.329 -6.312 1.00 0.00 H new ATOM 1709 N PRO A 109 3.114 6.962 -11.247 1.00 0.00 N ATOM 1710 CA PRO A 109 3.523 6.337 -12.509 1.00 0.00 C ATOM 1711 C PRO A 109 4.640 5.317 -12.316 1.00 0.00 C ATOM 1712 O PRO A 109 5.190 5.185 -11.223 1.00 0.00 O ATOM 1713 CB PRO A 109 4.017 7.519 -13.346 1.00 0.00 C ATOM 1714 CG PRO A 109 4.436 8.542 -12.348 1.00 0.00 C ATOM 1715 CD PRO A 109 3.510 8.378 -11.174 1.00 0.00 C ATOM 0 HA PRO A 109 2.708 5.781 -12.971 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.849 7.229 -13.988 1.00 0.00 H new ATOM 0 HB3 PRO A 109 3.230 7.900 -13.996 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.474 8.394 -12.050 1.00 0.00 H new ATOM 0 HG3 PRO A 109 4.364 9.547 -12.765 1.00 0.00 H new ATOM 0 HD2 PRO A 109 4.010 8.607 -10.233 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.648 9.041 -11.247 1.00 0.00 H new ATOM 1723 N MET A 110 4.971 4.600 -13.384 1.00 0.00 N ATOM 1724 CA MET A 110 6.024 3.593 -13.332 1.00 0.00 C ATOM 1725 C MET A 110 7.392 4.224 -13.570 1.00 0.00 C ATOM 1726 O MET A 110 7.506 5.440 -13.723 1.00 0.00 O ATOM 1727 CB MET A 110 5.766 2.499 -14.370 1.00 0.00 C ATOM 1728 CG MET A 110 4.306 2.090 -14.471 1.00 0.00 C ATOM 1729 SD MET A 110 3.957 1.122 -15.952 1.00 0.00 S ATOM 1730 CE MET A 110 4.666 2.172 -17.218 1.00 0.00 C ATOM 0 H MET A 110 4.525 4.697 -14.296 1.00 0.00 H new ATOM 0 HA MET A 110 6.017 3.148 -12.337 1.00 0.00 H new ATOM 0 HB2 MET A 110 6.106 2.848 -15.345 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.364 1.623 -14.119 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.033 1.510 -13.590 1.00 0.00 H new ATOM 0 HG3 MET A 110 3.681 2.983 -14.470 1.00 0.00 H new ATOM 0 HE1 MET A 110 4.139 2.014 -18.159 1.00 0.00 H new ATOM 0 HE2 MET A 110 4.571 3.216 -16.920 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.720 1.926 -17.347 1.00 0.00 H new