USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 578 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 Single : A 11 TYR OH : rot 180:sc= -0.0413 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0222 K(o=-0.022,f=-1.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -5.09! C(o=-5.1!,f=-7.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 40 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : A 56 SER OG : rot -106:sc= 1.24 USER MOD Single : A 57 HIS : no HD1:sc= -0.976 X(o=-0.98,f=-0.94) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 176:sc= -0.0346 USER MOD Single : A 63 HIS : no HE2:sc= -3.43 K(o=-3.4,f=-7.4!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 40:sc= 0.133 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.866 4.379 -4.158 1.00 0.00 N ATOM 125 CA TYR A 11 11.459 4.420 -2.764 1.00 0.00 C ATOM 126 C TYR A 11 10.688 5.705 -2.456 1.00 0.00 C ATOM 127 O TYR A 11 10.754 6.671 -3.215 1.00 0.00 O ATOM 128 CB TYR A 11 12.752 4.407 -1.947 1.00 0.00 C ATOM 129 CG TYR A 11 13.523 3.087 -2.023 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.842 1.888 -1.987 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.899 3.097 -2.127 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.568 0.646 -2.059 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.625 1.855 -2.198 1.00 0.00 C ATOM 134 CZ TYR A 11 14.923 0.691 -2.161 1.00 0.00 C ATOM 135 OH TYR A 11 15.608 -0.482 -2.229 1.00 0.00 O ATOM 0 HA TYR A 11 10.808 3.578 -2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.398 5.214 -2.295 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.513 4.617 -0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.765 1.880 -1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.432 4.036 -2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.048 -0.300 -2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.702 1.848 -2.279 1.00 0.00 H new ATOM 0 HH TYR A 11 16.568 -0.297 -2.300 1.00 0.00 H new ATOM 145 N LYS A 12 9.974 5.676 -1.340 1.00 0.00 N ATOM 146 CA LYS A 12 9.192 6.826 -0.922 1.00 0.00 C ATOM 147 C LYS A 12 8.335 7.308 -2.094 1.00 0.00 C ATOM 148 O LYS A 12 8.466 8.449 -2.535 1.00 0.00 O ATOM 149 CB LYS A 12 10.101 7.910 -0.338 1.00 0.00 C ATOM 150 CG LYS A 12 10.527 7.558 1.089 1.00 0.00 C ATOM 151 CD LYS A 12 10.219 8.707 2.051 1.00 0.00 C ATOM 152 CE LYS A 12 11.097 9.924 1.751 1.00 0.00 C ATOM 153 NZ LYS A 12 11.743 10.415 2.989 1.00 0.00 N ATOM 0 H LYS A 12 9.921 4.874 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 12 8.509 6.550 -0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.984 8.027 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.579 8.867 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.009 6.656 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.594 7.337 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.168 8.983 1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.383 8.380 3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.858 9.659 1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.492 10.717 1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.335 11.241 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.012 10.687 3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.336 9.662 3.393 1.00 0.00 H new ATOM 167 N GLN A 13 7.478 6.415 -2.566 1.00 0.00 N ATOM 168 CA GLN A 13 6.600 6.735 -3.678 1.00 0.00 C ATOM 169 C GLN A 13 5.227 6.092 -3.473 1.00 0.00 C ATOM 170 O GLN A 13 5.132 4.898 -3.192 1.00 0.00 O ATOM 171 CB GLN A 13 7.217 6.296 -5.008 1.00 0.00 C ATOM 172 CG GLN A 13 6.209 6.429 -6.151 1.00 0.00 C ATOM 173 CD GLN A 13 6.915 6.416 -7.508 1.00 0.00 C ATOM 174 OE1 GLN A 13 8.131 6.428 -7.605 1.00 0.00 O ATOM 175 NE2 GLN A 13 6.087 6.390 -8.549 1.00 0.00 N ATOM 0 H GLN A 13 7.373 5.469 -2.198 1.00 0.00 H new ATOM 0 HA GLN A 13 6.471 7.817 -3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.097 6.902 -5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.553 5.262 -4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.490 5.611 -6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.646 7.356 -6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.078 6.381 -8.398 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.461 6.379 -9.498 1.00 0.00 H new ATOM 184 N ILE A 14 4.197 6.912 -3.621 1.00 0.00 N ATOM 185 CA ILE A 14 2.833 6.439 -3.455 1.00 0.00 C ATOM 186 C ILE A 14 2.394 5.706 -4.724 1.00 0.00 C ATOM 187 O ILE A 14 2.500 6.245 -5.825 1.00 0.00 O ATOM 188 CB ILE A 14 1.909 7.593 -3.061 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.511 8.411 -1.917 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.507 7.082 -2.724 1.00 0.00 C ATOM 191 CD1 ILE A 14 2.086 7.850 -0.558 1.00 0.00 C ATOM 0 H ILE A 14 4.280 7.902 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 14 2.776 5.722 -2.636 1.00 0.00 H new ATOM 0 HB ILE A 14 1.811 8.260 -3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.598 8.404 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.192 9.450 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.130 7.922 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.085 6.578 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.566 6.381 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.528 8.450 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.000 7.881 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.428 6.819 -0.467 1.00 0.00 H new ATOM 203 N VAL A 15 1.912 4.487 -4.529 1.00 0.00 N ATOM 204 CA VAL A 15 1.456 3.675 -5.644 1.00 0.00 C ATOM 205 C VAL A 15 0.225 2.873 -5.217 1.00 0.00 C ATOM 206 O VAL A 15 -0.217 2.971 -4.073 1.00 0.00 O ATOM 207 CB VAL A 15 2.599 2.792 -6.149 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.485 3.553 -7.137 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.424 2.243 -4.983 1.00 0.00 C ATOM 0 H VAL A 15 1.827 4.042 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 15 1.157 4.308 -6.480 1.00 0.00 H new ATOM 0 HB VAL A 15 2.160 1.945 -6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.289 2.902 -7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.887 3.872 -7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.911 4.428 -6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.230 1.619 -5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.847 3.071 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.783 1.647 -4.333 1.00 0.00 H new ATOM 219 N TRP A 16 -0.293 2.098 -6.159 1.00 0.00 N ATOM 220 CA TRP A 16 -1.464 1.280 -5.894 1.00 0.00 C ATOM 221 C TRP A 16 -1.005 -0.173 -5.757 1.00 0.00 C ATOM 222 O TRP A 16 -0.160 -0.635 -6.522 1.00 0.00 O ATOM 223 CB TRP A 16 -2.524 1.472 -6.980 1.00 0.00 C ATOM 224 CG TRP A 16 -3.344 2.755 -6.830 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.198 3.911 -7.491 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.453 2.966 -5.929 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.126 4.848 -7.085 1.00 0.00 N ATOM 228 CE2 TRP A 16 -4.914 4.255 -6.105 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.046 2.096 -4.997 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -5.988 4.790 -5.384 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.118 2.646 -4.285 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.594 3.942 -4.450 1.00 0.00 C ATOM 0 H TRP A 16 0.077 2.019 -7.106 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.943 1.583 -4.963 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.035 1.478 -7.954 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.200 0.617 -6.968 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.448 4.088 -8.247 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.217 5.800 -7.439 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.702 1.084 -4.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.330 5.802 -5.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.610 2.020 -3.556 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.428 4.293 -3.860 1.00 0.00 H new ATOM 243 N VAL A 17 -1.581 -0.852 -4.776 1.00 0.00 N ATOM 244 CA VAL A 17 -1.242 -2.243 -4.529 1.00 0.00 C ATOM 245 C VAL A 17 -2.381 -3.137 -5.023 1.00 0.00 C ATOM 246 O VAL A 17 -3.536 -2.939 -4.650 1.00 0.00 O ATOM 247 CB VAL A 17 -0.920 -2.448 -3.048 1.00 0.00 C ATOM 248 CG1 VAL A 17 -1.657 -3.668 -2.490 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.589 -2.571 -2.826 1.00 0.00 C ATOM 0 H VAL A 17 -2.280 -0.465 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.346 -2.522 -5.084 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.268 -1.569 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.410 -3.791 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.732 -3.524 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.354 -4.559 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.790 -2.716 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.971 -3.424 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.082 -1.661 -3.168 1.00 0.00 H new ATOM 259 N LYS A 18 -2.016 -4.102 -5.854 1.00 0.00 N ATOM 260 CA LYS A 18 -2.993 -5.027 -6.403 1.00 0.00 C ATOM 261 C LYS A 18 -3.199 -6.184 -5.423 1.00 0.00 C ATOM 262 O LYS A 18 -2.238 -6.827 -5.004 1.00 0.00 O ATOM 263 CB LYS A 18 -2.578 -5.476 -7.805 1.00 0.00 C ATOM 264 CG LYS A 18 -3.636 -6.391 -8.424 1.00 0.00 C ATOM 265 CD LYS A 18 -3.034 -7.254 -9.535 1.00 0.00 C ATOM 266 CE LYS A 18 -2.456 -6.383 -10.652 1.00 0.00 C ATOM 267 NZ LYS A 18 -3.386 -6.332 -11.803 1.00 0.00 N ATOM 0 H LYS A 18 -1.057 -4.264 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.958 -4.534 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.430 -4.603 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.623 -6.000 -7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.064 -7.032 -7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.451 -5.790 -8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.251 -7.890 -9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.799 -7.914 -9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.275 -5.375 -10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.494 -6.783 -10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.979 -5.737 -12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.538 -7.293 -12.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.295 -5.930 -11.497 1.00 0.00 H new ATOM 366 N TRP A 24 -8.890 -2.974 -4.659 1.00 0.00 N ATOM 367 CA TRP A 24 -7.470 -2.667 -4.641 1.00 0.00 C ATOM 368 C TRP A 24 -7.126 -2.098 -3.263 1.00 0.00 C ATOM 369 O TRP A 24 -7.976 -2.059 -2.374 1.00 0.00 O ATOM 370 CB TRP A 24 -7.098 -1.724 -5.787 1.00 0.00 C ATOM 371 CG TRP A 24 -6.848 -2.433 -7.120 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.698 -3.195 -7.821 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.626 -2.413 -7.888 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.116 -3.667 -8.980 1.00 0.00 N ATOM 375 CE2 TRP A 24 -5.817 -3.176 -9.023 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.401 -1.772 -7.634 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -4.825 -3.369 -9.992 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.420 -1.975 -8.612 1.00 0.00 C ATOM 379 CH2 TRP A 24 -3.596 -2.740 -9.759 1.00 0.00 C ATOM 0 HA TRP A 24 -6.879 -3.568 -4.803 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.898 -0.996 -5.919 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -6.203 -1.167 -5.510 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.711 -3.413 -7.517 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.558 -4.266 -9.677 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.230 -1.170 -6.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.998 -3.971 -10.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.459 -1.504 -8.465 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.788 -2.849 -10.468 1.00 0.00 H new ATOM 390 N TRP A 25 -5.880 -1.670 -3.129 1.00 0.00 N ATOM 391 CA TRP A 25 -5.414 -1.105 -1.874 1.00 0.00 C ATOM 392 C TRP A 25 -4.186 -0.241 -2.171 1.00 0.00 C ATOM 393 O TRP A 25 -3.248 -0.694 -2.826 1.00 0.00 O ATOM 394 CB TRP A 25 -5.137 -2.204 -0.847 1.00 0.00 C ATOM 395 CG TRP A 25 -5.192 -1.726 0.606 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.218 -1.149 1.322 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.326 -1.810 1.496 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.639 -0.855 2.603 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.961 -1.269 2.712 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.616 -2.325 1.280 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.830 -1.192 3.807 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.472 -2.240 2.384 1.00 0.00 C ATOM 403 CH2 TRP A 25 -8.121 -1.699 3.615 1.00 0.00 C ATOM 0 H TRP A 25 -5.178 -1.703 -3.869 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.183 -0.475 -1.426 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.863 -3.005 -0.983 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.153 -2.629 -1.042 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.228 -0.940 0.944 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -4.082 -0.415 3.335 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.922 -2.752 0.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.521 -0.764 4.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.476 -2.622 2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.841 -1.670 4.420 1.00 0.00 H new ATOM 414 N PRO A 26 -4.233 1.019 -1.663 1.00 0.00 N ATOM 415 CA PRO A 26 -3.136 1.950 -1.867 1.00 0.00 C ATOM 416 C PRO A 26 -1.944 1.597 -0.975 1.00 0.00 C ATOM 417 O PRO A 26 -2.113 0.993 0.082 1.00 0.00 O ATOM 418 CB PRO A 26 -3.721 3.320 -1.563 1.00 0.00 C ATOM 419 CG PRO A 26 -4.983 3.064 -0.755 1.00 0.00 C ATOM 420 CD PRO A 26 -5.328 1.590 -0.883 1.00 0.00 C ATOM 0 HA PRO A 26 -2.740 1.917 -2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.014 3.930 -1.001 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.948 3.860 -2.482 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.827 3.330 0.290 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.803 3.681 -1.122 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.407 1.115 0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.286 1.450 -1.384 1.00 0.00 H new ATOM 428 N ALA A 27 -0.765 1.990 -1.435 1.00 0.00 N ATOM 429 CA ALA A 27 0.454 1.723 -0.692 1.00 0.00 C ATOM 430 C ALA A 27 1.577 2.615 -1.226 1.00 0.00 C ATOM 431 O ALA A 27 1.436 3.233 -2.280 1.00 0.00 O ATOM 432 CB ALA A 27 0.795 0.235 -0.788 1.00 0.00 C ATOM 0 H ALA A 27 -0.629 2.491 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 27 0.320 1.959 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.710 0.035 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.021 -0.353 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.940 -0.038 -1.833 1.00 0.00 H new ATOM 438 N GLU A 28 2.668 2.652 -0.475 1.00 0.00 N ATOM 439 CA GLU A 28 3.814 3.458 -0.860 1.00 0.00 C ATOM 440 C GLU A 28 5.105 2.649 -0.711 1.00 0.00 C ATOM 441 O GLU A 28 5.351 2.053 0.337 1.00 0.00 O ATOM 442 CB GLU A 28 3.878 4.748 -0.040 1.00 0.00 C ATOM 443 CG GLU A 28 5.255 5.404 -0.156 1.00 0.00 C ATOM 444 CD GLU A 28 6.008 5.339 1.174 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.371 5.656 2.202 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.203 4.975 1.134 1.00 0.00 O ATOM 0 H GLU A 28 2.783 2.137 0.398 1.00 0.00 H new ATOM 0 HA GLU A 28 3.702 3.738 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.111 5.441 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.662 4.529 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.836 4.904 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.142 6.444 -0.463 1.00 0.00 H new ATOM 453 N ILE A 29 5.895 2.655 -1.774 1.00 0.00 N ATOM 454 CA ILE A 29 7.154 1.929 -1.775 1.00 0.00 C ATOM 455 C ILE A 29 8.071 2.508 -0.696 1.00 0.00 C ATOM 456 O ILE A 29 8.253 3.721 -0.616 1.00 0.00 O ATOM 457 CB ILE A 29 7.773 1.931 -3.174 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.892 1.166 -4.164 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.203 1.389 -3.142 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.312 1.453 -5.607 1.00 0.00 C ATOM 0 H ILE A 29 5.688 3.151 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 29 6.990 0.881 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 29 7.828 2.963 -3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.962 0.096 -3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.849 1.449 -4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.619 1.401 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.814 2.012 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.196 0.366 -2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.670 0.897 -6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.218 2.520 -5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.348 1.147 -5.752 1.00 0.00 H new ATOM 472 N CYS A 30 8.625 1.611 0.108 1.00 0.00 N ATOM 473 CA CYS A 30 9.519 2.017 1.178 1.00 0.00 C ATOM 474 C CYS A 30 10.914 1.466 0.875 1.00 0.00 C ATOM 475 O CYS A 30 11.099 0.737 -0.099 1.00 0.00 O ATOM 476 CB CYS A 30 9.009 1.559 2.546 1.00 0.00 C ATOM 477 SG CYS A 30 9.002 2.966 3.716 1.00 0.00 S ATOM 0 H CYS A 30 8.471 0.605 0.039 1.00 0.00 H new ATOM 0 HA CYS A 30 9.562 3.105 1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.003 1.151 2.450 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.642 0.759 2.930 1.00 0.00 H new ATOM 0 HG CYS A 30 8.565 2.566 4.873 1.00 0.00 H new ATOM 483 N ASN A 31 11.859 1.834 1.728 1.00 0.00 N ATOM 484 CA ASN A 31 13.231 1.385 1.563 1.00 0.00 C ATOM 485 C ASN A 31 13.504 0.229 2.527 1.00 0.00 C ATOM 486 O ASN A 31 12.823 0.088 3.542 1.00 0.00 O ATOM 487 CB ASN A 31 14.220 2.508 1.880 1.00 0.00 C ATOM 488 CG ASN A 31 13.824 3.804 1.170 1.00 0.00 C ATOM 489 OD1 ASN A 31 12.700 4.272 1.258 1.00 0.00 O ATOM 490 ND2 ASN A 31 14.806 4.356 0.463 1.00 0.00 N ATOM 0 H ASN A 31 11.702 2.438 2.535 1.00 0.00 H new ATOM 0 HA ASN A 31 13.361 1.072 0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.254 2.675 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.223 2.212 1.572 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.641 5.223 -0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.724 3.912 0.432 1.00 0.00 H new ATOM 497 N PRO A 32 14.528 -0.591 2.167 1.00 0.00 N ATOM 498 CA PRO A 32 14.899 -1.730 2.989 1.00 0.00 C ATOM 499 C PRO A 32 15.654 -1.280 4.241 1.00 0.00 C ATOM 500 O PRO A 32 15.736 -2.020 5.221 1.00 0.00 O ATOM 501 CB PRO A 32 15.733 -2.617 2.079 1.00 0.00 C ATOM 502 CG PRO A 32 16.187 -1.728 0.933 1.00 0.00 C ATOM 503 CD PRO A 32 15.356 -0.455 0.973 1.00 0.00 C ATOM 0 HA PRO A 32 14.034 -2.274 3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.587 -3.032 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.148 -3.460 1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.248 -1.495 1.028 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.057 -2.239 -0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.990 0.430 1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.745 -0.353 0.076 1.00 0.00 H new ATOM 511 N ARG A 33 16.187 -0.069 4.169 1.00 0.00 N ATOM 512 CA ARG A 33 16.933 0.488 5.284 1.00 0.00 C ATOM 513 C ARG A 33 15.979 1.148 6.283 1.00 0.00 C ATOM 514 O ARG A 33 16.361 1.430 7.418 1.00 0.00 O ATOM 515 CB ARG A 33 17.952 1.523 4.803 1.00 0.00 C ATOM 516 CG ARG A 33 19.043 0.865 3.956 1.00 0.00 C ATOM 517 CD ARG A 33 20.107 0.213 4.842 1.00 0.00 C ATOM 518 NE ARG A 33 21.101 -0.492 4.003 1.00 0.00 N ATOM 519 CZ ARG A 33 22.111 -1.225 4.491 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.267 -1.353 5.816 1.00 0.00 N ATOM 521 NH2 ARG A 33 22.966 -1.829 3.655 1.00 0.00 N ATOM 0 H ARG A 33 16.117 0.542 3.355 1.00 0.00 H new ATOM 0 HA ARG A 33 17.465 -0.330 5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.447 2.292 4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.403 2.021 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.598 0.114 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.508 1.611 3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.603 0.972 5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 33 19.638 -0.489 5.532 1.00 0.00 H new ATOM 0 HE ARG A 33 21.012 -0.415 2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.617 -0.892 6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.036 -1.911 6.187 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.848 -1.731 2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.735 -2.387 4.027 1.00 0.00 H new ATOM 535 N SER A 34 14.757 1.375 5.825 1.00 0.00 N ATOM 536 CA SER A 34 13.747 1.997 6.664 1.00 0.00 C ATOM 537 C SER A 34 13.004 0.927 7.467 1.00 0.00 C ATOM 538 O SER A 34 12.942 0.998 8.693 1.00 0.00 O ATOM 539 CB SER A 34 12.760 2.812 5.825 1.00 0.00 C ATOM 540 OG SER A 34 12.726 4.180 6.222 1.00 0.00 O ATOM 0 H SER A 34 14.443 1.139 4.883 1.00 0.00 H new ATOM 0 HA SER A 34 14.246 2.679 7.353 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.038 2.746 4.773 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.763 2.382 5.919 1.00 0.00 H new ATOM 0 HG SER A 34 12.086 4.667 5.662 1.00 0.00 H new ATOM 546 N VAL A 35 12.458 -0.039 6.743 1.00 0.00 N ATOM 547 CA VAL A 35 11.722 -1.122 7.372 1.00 0.00 C ATOM 548 C VAL A 35 12.646 -1.868 8.337 1.00 0.00 C ATOM 549 O VAL A 35 13.867 -1.811 8.201 1.00 0.00 O ATOM 550 CB VAL A 35 11.114 -2.032 6.303 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.311 -1.220 5.284 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.195 -2.865 5.612 1.00 0.00 C ATOM 0 H VAL A 35 12.511 -0.094 5.726 1.00 0.00 H new ATOM 0 HA VAL A 35 10.890 -0.729 7.957 1.00 0.00 H new ATOM 0 HB VAL A 35 10.428 -2.719 6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.890 -1.891 4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.505 -0.692 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.966 -0.498 4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.736 -3.503 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.917 -2.201 5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.704 -3.485 6.350 1.00 0.00 H new ATOM 562 N PRO A 36 12.011 -2.567 9.315 1.00 0.00 N ATOM 563 CA PRO A 36 12.763 -3.324 10.302 1.00 0.00 C ATOM 564 C PRO A 36 13.323 -4.612 9.696 1.00 0.00 C ATOM 565 O PRO A 36 12.825 -5.091 8.678 1.00 0.00 O ATOM 566 CB PRO A 36 11.781 -3.578 11.434 1.00 0.00 C ATOM 567 CG PRO A 36 10.398 -3.363 10.843 1.00 0.00 C ATOM 568 CD PRO A 36 10.567 -2.657 9.507 1.00 0.00 C ATOM 0 HA PRO A 36 13.639 -2.787 10.665 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.886 -4.591 11.822 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.960 -2.897 12.266 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.888 -4.317 10.709 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.784 -2.765 11.516 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.095 -3.218 8.700 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.107 -1.669 9.520 1.00 0.00 H new ATOM 576 N LEU A 37 14.351 -5.136 10.347 1.00 0.00 N ATOM 577 CA LEU A 37 14.984 -6.360 9.885 1.00 0.00 C ATOM 578 C LEU A 37 13.909 -7.410 9.602 1.00 0.00 C ATOM 579 O LEU A 37 14.009 -8.161 8.633 1.00 0.00 O ATOM 580 CB LEU A 37 16.048 -6.822 10.882 1.00 0.00 C ATOM 581 CG LEU A 37 17.498 -6.497 10.516 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.941 -7.283 9.281 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.693 -4.990 10.336 1.00 0.00 C ATOM 0 H LEU A 37 14.761 -4.736 11.191 1.00 0.00 H new ATOM 0 HA LEU A 37 15.513 -6.185 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.829 -6.372 11.851 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.958 -7.901 11.004 1.00 0.00 H new ATOM 0 HG LEU A 37 18.137 -6.808 11.342 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.975 -7.034 9.042 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.863 -8.351 9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.302 -7.025 8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.732 -4.786 10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.042 -4.632 9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.444 -4.477 11.265 1.00 0.00 H new ATOM 595 N ASN A 38 12.904 -7.429 10.465 1.00 0.00 N ATOM 596 CA ASN A 38 11.810 -8.375 10.320 1.00 0.00 C ATOM 597 C ASN A 38 11.415 -8.468 8.845 1.00 0.00 C ATOM 598 O ASN A 38 11.209 -9.563 8.322 1.00 0.00 O ATOM 599 CB ASN A 38 10.582 -7.922 11.111 1.00 0.00 C ATOM 600 CG ASN A 38 10.628 -8.451 12.546 1.00 0.00 C ATOM 601 OD1 ASN A 38 11.680 -8.724 13.101 1.00 0.00 O ATOM 602 ND2 ASN A 38 9.432 -8.580 13.114 1.00 0.00 N ATOM 0 H ASN A 38 12.824 -6.804 11.267 1.00 0.00 H new ATOM 0 HA ASN A 38 12.146 -9.340 10.698 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.534 -6.833 11.122 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.677 -8.276 10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.356 -8.926 14.071 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.591 -8.333 12.593 1.00 0.00 H new ATOM 609 N ILE A 39 11.320 -7.306 8.216 1.00 0.00 N ATOM 610 CA ILE A 39 10.952 -7.243 6.812 1.00 0.00 C ATOM 611 C ILE A 39 12.164 -7.616 5.955 1.00 0.00 C ATOM 612 O ILE A 39 12.091 -8.530 5.136 1.00 0.00 O ATOM 613 CB ILE A 39 10.358 -5.874 6.474 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.333 -5.447 7.527 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.768 -5.865 5.063 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.329 -6.568 7.801 1.00 0.00 C ATOM 0 H ILE A 39 11.492 -6.400 8.653 1.00 0.00 H new ATOM 0 HA ILE A 39 10.168 -7.968 6.591 1.00 0.00 H new ATOM 0 HB ILE A 39 11.163 -5.139 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.846 -5.179 8.451 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.805 -4.557 7.186 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.353 -4.880 4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.551 -6.094 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.979 -6.614 4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.612 -6.238 8.553 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.801 -6.817 6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.858 -7.449 8.165 1.00 0.00 H new ATOM 628 N GLN A 40 13.249 -6.889 6.174 1.00 0.00 N ATOM 629 CA GLN A 40 14.475 -7.132 5.432 1.00 0.00 C ATOM 630 C GLN A 40 14.718 -8.635 5.286 1.00 0.00 C ATOM 631 O GLN A 40 14.956 -9.125 4.183 1.00 0.00 O ATOM 632 CB GLN A 40 15.667 -6.446 6.103 1.00 0.00 C ATOM 633 CG GLN A 40 15.464 -4.931 6.165 1.00 0.00 C ATOM 634 CD GLN A 40 16.725 -4.230 6.674 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.838 -4.528 6.272 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.490 -3.284 7.579 1.00 0.00 N ATOM 0 H GLN A 40 13.305 -6.131 6.855 1.00 0.00 H new ATOM 0 HA GLN A 40 14.365 -6.703 4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.798 -6.840 7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.579 -6.672 5.551 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.208 -4.554 5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.625 -4.699 6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.533 -3.085 7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.266 -2.758 7.980 1.00 0.00 H new ATOM 645 N GLY A 41 14.649 -9.326 6.415 1.00 0.00 N ATOM 646 CA GLY A 41 14.858 -10.764 6.426 1.00 0.00 C ATOM 647 C GLY A 41 14.111 -11.436 5.273 1.00 0.00 C ATOM 648 O GLY A 41 14.578 -12.433 4.724 1.00 0.00 O ATOM 0 H GLY A 41 14.451 -8.917 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.923 -10.981 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.517 -11.177 7.375 1.00 0.00 H new ATOM 652 N LEU A 42 12.965 -10.863 4.938 1.00 0.00 N ATOM 653 CA LEU A 42 12.149 -11.394 3.860 1.00 0.00 C ATOM 654 C LEU A 42 13.017 -11.583 2.614 1.00 0.00 C ATOM 655 O LEU A 42 13.732 -10.668 2.207 1.00 0.00 O ATOM 656 CB LEU A 42 10.924 -10.506 3.627 1.00 0.00 C ATOM 657 CG LEU A 42 10.031 -10.264 4.845 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.192 -8.997 4.665 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.163 -11.489 5.141 1.00 0.00 C ATOM 0 H LEU A 42 12.582 -10.035 5.395 1.00 0.00 H new ATOM 0 HA LEU A 42 11.757 -12.375 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.265 -9.540 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.318 -10.956 2.840 1.00 0.00 H new ATOM 0 HG LEU A 42 10.671 -10.106 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.566 -8.847 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.852 -8.139 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.560 -9.101 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.538 -11.290 6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.529 -11.702 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.803 -12.348 5.342 1.00 0.00 H new ATOM 748 N ASP A 48 11.690 -6.601 -6.899 1.00 0.00 N ATOM 749 CA ASP A 48 10.793 -6.611 -5.756 1.00 0.00 C ATOM 750 C ASP A 48 11.373 -5.728 -4.650 1.00 0.00 C ATOM 751 O ASP A 48 12.488 -5.961 -4.186 1.00 0.00 O ATOM 752 CB ASP A 48 10.630 -8.025 -5.196 1.00 0.00 C ATOM 753 CG ASP A 48 9.975 -9.027 -6.149 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.539 -9.217 -7.248 1.00 0.00 O ATOM 755 OD2 ASP A 48 8.926 -9.581 -5.756 1.00 0.00 O ATOM 0 HA ASP A 48 9.823 -6.240 -6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.613 -8.403 -4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.035 -7.972 -4.284 1.00 0.00 H new ATOM 760 N PHE A 49 10.590 -4.733 -4.259 1.00 0.00 N ATOM 761 CA PHE A 49 11.013 -3.814 -3.216 1.00 0.00 C ATOM 762 C PHE A 49 10.008 -3.795 -2.062 1.00 0.00 C ATOM 763 O PHE A 49 8.872 -4.241 -2.216 1.00 0.00 O ATOM 764 CB PHE A 49 11.075 -2.421 -3.846 1.00 0.00 C ATOM 765 CG PHE A 49 9.941 -2.133 -4.832 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.659 -2.048 -4.388 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.217 -1.961 -6.153 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.607 -1.781 -5.304 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.165 -1.693 -7.068 1.00 0.00 C ATOM 770 CZ PHE A 49 7.882 -1.609 -6.624 1.00 0.00 C ATOM 0 H PHE A 49 9.665 -4.543 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 49 11.979 -4.123 -2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.052 -1.673 -3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.029 -2.309 -4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.441 -2.183 -3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.236 -2.028 -6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.588 -1.715 -4.952 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.383 -1.556 -8.117 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.082 -1.406 -7.320 1.00 0.00 H new ATOM 780 N PRO A 50 10.475 -3.260 -0.902 1.00 0.00 N ATOM 781 CA PRO A 50 9.630 -3.177 0.277 1.00 0.00 C ATOM 782 C PRO A 50 8.599 -2.055 0.135 1.00 0.00 C ATOM 783 O PRO A 50 8.945 -0.931 -0.224 1.00 0.00 O ATOM 784 CB PRO A 50 10.591 -2.957 1.434 1.00 0.00 C ATOM 785 CG PRO A 50 11.887 -2.462 0.812 1.00 0.00 C ATOM 786 CD PRO A 50 11.815 -2.722 -0.684 1.00 0.00 C ATOM 0 HA PRO A 50 9.037 -4.078 0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.193 -2.227 2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.752 -3.881 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.023 -1.399 1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.742 -2.979 1.249 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.971 -1.806 -1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.582 -3.429 -1.001 1.00 0.00 H new ATOM 794 N VAL A 51 7.353 -2.401 0.423 1.00 0.00 N ATOM 795 CA VAL A 51 6.269 -1.438 0.332 1.00 0.00 C ATOM 796 C VAL A 51 5.402 -1.531 1.589 1.00 0.00 C ATOM 797 O VAL A 51 5.200 -2.618 2.128 1.00 0.00 O ATOM 798 CB VAL A 51 5.478 -1.661 -0.958 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.408 -1.701 -2.172 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.635 -2.935 -0.871 1.00 0.00 C ATOM 0 H VAL A 51 7.070 -3.335 0.720 1.00 0.00 H new ATOM 0 HA VAL A 51 6.663 -0.423 0.284 1.00 0.00 H new ATOM 0 HB VAL A 51 4.799 -0.818 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.820 -1.861 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.945 -0.755 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.123 -2.515 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.083 -3.070 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.288 -3.793 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.933 -2.851 -0.041 1.00 0.00 H new ATOM 810 N PHE A 52 4.914 -0.377 2.020 1.00 0.00 N ATOM 811 CA PHE A 52 4.073 -0.316 3.203 1.00 0.00 C ATOM 812 C PHE A 52 2.595 -0.215 2.822 1.00 0.00 C ATOM 813 O PHE A 52 2.198 0.699 2.100 1.00 0.00 O ATOM 814 CB PHE A 52 4.476 0.944 3.973 1.00 0.00 C ATOM 815 CG PHE A 52 3.707 1.147 5.280 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.765 0.204 6.257 1.00 0.00 C ATOM 817 CD2 PHE A 52 2.965 2.272 5.464 1.00 0.00 C ATOM 818 CE1 PHE A 52 3.050 0.393 7.470 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.251 2.461 6.676 1.00 0.00 C ATOM 820 CZ PHE A 52 2.308 1.518 7.654 1.00 0.00 C ATOM 0 H PHE A 52 5.085 0.523 1.571 1.00 0.00 H new ATOM 0 HA PHE A 52 4.205 -1.218 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.542 0.897 4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.321 1.813 3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.355 -0.689 6.111 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.919 3.022 4.688 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.096 -0.357 8.246 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.662 3.354 6.822 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.765 1.662 8.576 1.00 0.00 H new ATOM 830 N PHE A 53 1.821 -1.165 3.323 1.00 0.00 N ATOM 831 CA PHE A 53 0.395 -1.195 3.044 1.00 0.00 C ATOM 832 C PHE A 53 -0.377 -0.329 4.041 1.00 0.00 C ATOM 833 O PHE A 53 -0.429 -0.642 5.230 1.00 0.00 O ATOM 834 CB PHE A 53 -0.059 -2.649 3.189 1.00 0.00 C ATOM 835 CG PHE A 53 0.207 -3.510 1.953 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.456 -3.564 1.418 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.805 -4.224 1.391 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.703 -4.364 0.271 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.558 -5.023 0.244 1.00 0.00 C ATOM 840 CZ PHE A 53 0.691 -5.077 -0.292 1.00 0.00 C ATOM 0 H PHE A 53 2.154 -1.921 3.921 1.00 0.00 H new ATOM 0 HA PHE A 53 0.203 -0.807 2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.449 -3.094 4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.127 -2.665 3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.260 -2.999 1.865 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.796 -4.183 1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.695 -4.406 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.362 -5.588 -0.203 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.879 -5.686 -1.164 1.00 0.00 H new ATOM 850 N PHE A 54 -0.958 0.742 3.521 1.00 0.00 N ATOM 851 CA PHE A 54 -1.725 1.655 4.351 1.00 0.00 C ATOM 852 C PHE A 54 -2.920 0.944 4.989 1.00 0.00 C ATOM 853 O PHE A 54 -3.284 -0.157 4.577 1.00 0.00 O ATOM 854 CB PHE A 54 -2.238 2.768 3.435 1.00 0.00 C ATOM 855 CG PHE A 54 -1.131 3.563 2.741 1.00 0.00 C ATOM 856 CD1 PHE A 54 -0.041 3.969 3.445 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.236 3.862 1.418 1.00 0.00 C ATOM 858 CE1 PHE A 54 0.987 4.706 2.800 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.208 4.600 0.773 1.00 0.00 C ATOM 860 CZ PHE A 54 0.882 5.006 1.478 1.00 0.00 C ATOM 0 H PHE A 54 -0.913 0.998 2.535 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.098 2.045 5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.887 2.330 2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.850 3.453 4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.043 3.731 4.495 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.101 3.538 0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.853 5.028 3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.292 4.839 -0.277 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.664 5.567 0.988 1.00 0.00 H new ATOM 870 N GLY A 55 -3.498 1.601 5.983 1.00 0.00 N ATOM 871 CA GLY A 55 -4.644 1.046 6.682 1.00 0.00 C ATOM 872 C GLY A 55 -4.225 -0.113 7.589 1.00 0.00 C ATOM 873 O GLY A 55 -4.451 -0.073 8.797 1.00 0.00 O ATOM 0 H GLY A 55 -3.194 2.514 6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.123 1.823 7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.382 0.698 5.959 1.00 0.00 H new ATOM 877 N SER A 56 -3.622 -1.118 6.971 1.00 0.00 N ATOM 878 CA SER A 56 -3.169 -2.286 7.707 1.00 0.00 C ATOM 879 C SER A 56 -1.827 -1.992 8.381 1.00 0.00 C ATOM 880 O SER A 56 -1.655 -2.254 9.570 1.00 0.00 O ATOM 881 CB SER A 56 -3.046 -3.503 6.788 1.00 0.00 C ATOM 882 OG SER A 56 -3.050 -4.726 7.519 1.00 0.00 O ATOM 0 H SER A 56 -3.437 -1.147 5.968 1.00 0.00 H new ATOM 0 HA SER A 56 -3.910 -2.516 8.472 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.871 -3.504 6.075 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.125 -3.429 6.210 1.00 0.00 H new ATOM 0 HG SER A 56 -2.143 -5.097 7.541 1.00 0.00 H new ATOM 888 N HIS A 57 -0.911 -1.451 7.591 1.00 0.00 N ATOM 889 CA HIS A 57 0.410 -1.118 8.097 1.00 0.00 C ATOM 890 C HIS A 57 1.272 -2.381 8.152 1.00 0.00 C ATOM 891 O HIS A 57 1.592 -2.871 9.234 1.00 0.00 O ATOM 892 CB HIS A 57 0.312 -0.407 9.448 1.00 0.00 C ATOM 893 CG HIS A 57 -0.769 0.644 9.512 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.370 1.031 10.697 1.00 0.00 N ATOM 895 CD2 HIS A 57 -1.350 1.386 8.525 1.00 0.00 C ATOM 896 CE1 HIS A 57 -2.271 1.963 10.424 1.00 0.00 C ATOM 897 NE2 HIS A 57 -2.258 2.181 9.078 1.00 0.00 N ATOM 0 H HIS A 57 -1.057 -1.235 6.605 1.00 0.00 H new ATOM 0 HA HIS A 57 0.897 -0.417 7.419 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.129 -1.149 10.225 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.271 0.059 9.672 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.112 1.335 7.473 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.905 2.463 11.142 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.849 2.846 8.578 1.00 0.00 H new ATOM 905 N ASP A 58 1.622 -2.873 6.973 1.00 0.00 N ATOM 906 CA ASP A 58 2.439 -4.070 6.873 1.00 0.00 C ATOM 907 C ASP A 58 3.362 -3.952 5.659 1.00 0.00 C ATOM 908 O ASP A 58 2.951 -3.465 4.607 1.00 0.00 O ATOM 909 CB ASP A 58 1.571 -5.316 6.689 1.00 0.00 C ATOM 910 CG ASP A 58 0.284 -5.336 7.515 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.376 -5.006 8.717 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.763 -5.680 6.925 1.00 0.00 O ATOM 0 H ASP A 58 1.354 -2.464 6.078 1.00 0.00 H new ATOM 0 HA ASP A 58 3.013 -4.164 7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.309 -5.405 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.163 -6.194 6.946 1.00 0.00 H new ATOM 917 N TYR A 59 4.593 -4.407 5.845 1.00 0.00 N ATOM 918 CA TYR A 59 5.578 -4.359 4.778 1.00 0.00 C ATOM 919 C TYR A 59 5.647 -5.695 4.035 1.00 0.00 C ATOM 920 O TYR A 59 5.446 -6.752 4.631 1.00 0.00 O ATOM 921 CB TYR A 59 6.923 -4.097 5.457 1.00 0.00 C ATOM 922 CG TYR A 59 6.930 -2.871 6.372 1.00 0.00 C ATOM 923 CD1 TYR A 59 6.867 -1.604 5.829 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.999 -3.032 7.741 1.00 0.00 C ATOM 925 CE1 TYR A 59 6.873 -0.450 6.690 1.00 0.00 C ATOM 926 CE2 TYR A 59 7.006 -1.878 8.602 1.00 0.00 C ATOM 927 CZ TYR A 59 6.942 -0.644 8.035 1.00 0.00 C ATOM 928 OH TYR A 59 6.948 0.446 8.848 1.00 0.00 O ATOM 0 H TYR A 59 4.930 -4.811 6.719 1.00 0.00 H new ATOM 0 HA TYR A 59 5.319 -3.589 4.052 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.201 -4.975 6.041 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.687 -3.969 4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.813 -1.478 4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.048 -4.023 8.166 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.824 0.547 6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.061 -1.990 9.675 1.00 0.00 H new ATOM 0 HH TYR A 59 6.999 0.157 9.783 1.00 0.00 H new ATOM 938 N TYR A 60 5.931 -5.603 2.744 1.00 0.00 N ATOM 939 CA TYR A 60 6.029 -6.791 1.913 1.00 0.00 C ATOM 940 C TYR A 60 6.906 -6.532 0.686 1.00 0.00 C ATOM 941 O TYR A 60 7.161 -5.381 0.333 1.00 0.00 O ATOM 942 CB TYR A 60 4.604 -7.101 1.450 1.00 0.00 C ATOM 943 CG TYR A 60 3.625 -7.377 2.593 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.876 -8.400 3.485 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.491 -6.602 2.733 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.954 -8.660 4.560 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.570 -6.862 3.809 1.00 0.00 C ATOM 948 CZ TYR A 60 1.847 -7.878 4.669 1.00 0.00 C ATOM 949 OH TYR A 60 0.976 -8.123 5.685 1.00 0.00 O ATOM 0 H TYR A 60 6.096 -4.724 2.253 1.00 0.00 H new ATOM 0 HA TYR A 60 6.476 -7.614 2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.233 -6.261 0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.628 -7.967 0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.764 -9.005 3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.295 -5.801 2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.138 -9.458 5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.679 -6.263 3.930 1.00 0.00 H new ATOM 0 HH TYR A 60 0.266 -7.447 5.678 1.00 0.00 H new ATOM 959 N TRP A 61 7.343 -7.620 0.070 1.00 0.00 N ATOM 960 CA TRP A 61 8.186 -7.525 -1.110 1.00 0.00 C ATOM 961 C TRP A 61 7.350 -7.938 -2.322 1.00 0.00 C ATOM 962 O TRP A 61 7.003 -9.108 -2.472 1.00 0.00 O ATOM 963 CB TRP A 61 9.456 -8.363 -0.946 1.00 0.00 C ATOM 964 CG TRP A 61 10.382 -7.878 0.172 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.279 -8.110 1.488 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.563 -7.063 0.017 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.303 -7.507 2.189 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.109 -6.851 1.266 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.151 -6.524 -1.141 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.269 -6.096 1.478 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.310 -5.772 -0.912 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.872 -5.549 0.339 1.00 0.00 C ATOM 0 H TRP A 61 7.129 -8.572 0.366 1.00 0.00 H new ATOM 0 HA TRP A 61 8.530 -6.501 -1.257 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.174 -9.397 -0.747 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.006 -8.358 -1.887 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.493 -8.695 1.943 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.443 -7.537 3.199 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.741 -6.678 -2.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.676 -5.944 2.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.802 -5.334 -1.768 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.770 -4.956 0.432 1.00 0.00 H new ATOM 983 N VAL A 62 7.050 -6.953 -3.157 1.00 0.00 N ATOM 984 CA VAL A 62 6.261 -7.200 -4.352 1.00 0.00 C ATOM 985 C VAL A 62 7.008 -6.657 -5.572 1.00 0.00 C ATOM 986 O VAL A 62 7.538 -5.547 -5.537 1.00 0.00 O ATOM 987 CB VAL A 62 4.864 -6.598 -4.190 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.121 -7.244 -3.019 1.00 0.00 C ATOM 989 CG2 VAL A 62 4.938 -5.079 -4.021 1.00 0.00 C ATOM 0 H VAL A 62 7.339 -5.983 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 62 6.123 -8.270 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 62 4.302 -6.807 -5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.131 -6.798 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.021 -8.315 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.681 -7.080 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.932 -4.676 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.526 -4.840 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.409 -4.638 -4.899 1.00 0.00 H new ATOM 999 N HIS A 63 7.027 -7.464 -6.622 1.00 0.00 N ATOM 1000 CA HIS A 63 7.700 -7.079 -7.851 1.00 0.00 C ATOM 1001 C HIS A 63 7.189 -5.711 -8.309 1.00 0.00 C ATOM 1002 O HIS A 63 6.333 -5.115 -7.658 1.00 0.00 O ATOM 1003 CB HIS A 63 7.538 -8.160 -8.921 1.00 0.00 C ATOM 1004 CG HIS A 63 6.121 -8.655 -9.086 1.00 0.00 C ATOM 1005 ND1 HIS A 63 5.777 -9.663 -9.970 1.00 0.00 N ATOM 1006 CD2 HIS A 63 4.966 -8.271 -8.470 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.471 -9.867 -9.883 1.00 0.00 C ATOM 1008 NE2 HIS A 63 3.970 -9.003 -8.953 1.00 0.00 N ATOM 0 H HIS A 63 6.587 -8.384 -6.647 1.00 0.00 H new ATOM 0 HA HIS A 63 8.771 -6.987 -7.670 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.888 -7.767 -9.876 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.180 -9.004 -8.670 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.420 -10.164 -10.584 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.877 -7.502 -7.717 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.902 -10.590 -10.449 1.00 0.00 H new ATOM 1016 N GLN A 64 7.736 -5.254 -9.425 1.00 0.00 N ATOM 1017 CA GLN A 64 7.347 -3.968 -9.978 1.00 0.00 C ATOM 1018 C GLN A 64 6.512 -4.165 -11.245 1.00 0.00 C ATOM 1019 O GLN A 64 6.636 -5.185 -11.922 1.00 0.00 O ATOM 1020 CB GLN A 64 8.574 -3.098 -10.259 1.00 0.00 C ATOM 1021 CG GLN A 64 9.190 -3.441 -11.617 1.00 0.00 C ATOM 1022 CD GLN A 64 10.522 -2.716 -11.814 1.00 0.00 C ATOM 1023 OE1 GLN A 64 10.720 -1.596 -11.372 1.00 0.00 O ATOM 1024 NE2 GLN A 64 11.422 -3.414 -12.501 1.00 0.00 N ATOM 0 H GLN A 64 8.446 -5.752 -9.962 1.00 0.00 H new ATOM 0 HA GLN A 64 6.735 -3.448 -9.241 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.290 -2.046 -10.240 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.315 -3.243 -9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.344 -4.518 -11.689 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.500 -3.164 -12.414 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.191 -4.347 -12.843 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.343 -3.016 -12.686 1.00 0.00 H new ATOM 1033 N GLY A 65 5.681 -3.173 -11.527 1.00 0.00 N ATOM 1034 CA GLY A 65 4.826 -3.225 -12.701 1.00 0.00 C ATOM 1035 C GLY A 65 3.383 -3.558 -12.315 1.00 0.00 C ATOM 1036 O GLY A 65 2.455 -3.290 -13.076 1.00 0.00 O ATOM 0 H GLY A 65 5.581 -2.329 -10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.855 -2.267 -13.219 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.202 -3.975 -13.396 1.00 0.00 H new ATOM 1040 N ARG A 66 3.240 -4.138 -11.132 1.00 0.00 N ATOM 1041 CA ARG A 66 1.927 -4.510 -10.635 1.00 0.00 C ATOM 1042 C ARG A 66 1.306 -3.350 -9.854 1.00 0.00 C ATOM 1043 O ARG A 66 0.115 -3.370 -9.549 1.00 0.00 O ATOM 1044 CB ARG A 66 2.009 -5.740 -9.728 1.00 0.00 C ATOM 1045 CG ARG A 66 2.150 -7.021 -10.553 1.00 0.00 C ATOM 1046 CD ARG A 66 1.289 -8.144 -9.973 1.00 0.00 C ATOM 1047 NE ARG A 66 1.323 -9.322 -10.868 1.00 0.00 N ATOM 1048 CZ ARG A 66 0.717 -10.487 -10.601 1.00 0.00 C ATOM 1049 NH1 ARG A 66 0.026 -10.637 -9.463 1.00 0.00 N ATOM 1050 NH2 ARG A 66 0.802 -11.502 -11.472 1.00 0.00 N ATOM 0 H ARG A 66 4.012 -4.359 -10.504 1.00 0.00 H new ATOM 0 HA ARG A 66 1.303 -4.748 -11.496 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.859 -5.642 -9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.115 -5.799 -9.108 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.855 -6.828 -11.584 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.195 -7.332 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.653 -8.419 -8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.262 -7.800 -9.850 1.00 0.00 H new ATOM 0 HE ARG A 66 1.840 -9.242 -11.743 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.039 -9.865 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.435 -11.524 -9.260 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.328 -11.388 -12.338 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.341 -12.389 -11.268 1.00 0.00 H new ATOM 1064 N VAL A 67 2.141 -2.366 -9.554 1.00 0.00 N ATOM 1065 CA VAL A 67 1.689 -1.200 -8.815 1.00 0.00 C ATOM 1066 C VAL A 67 1.503 -0.029 -9.783 1.00 0.00 C ATOM 1067 O VAL A 67 2.226 0.085 -10.771 1.00 0.00 O ATOM 1068 CB VAL A 67 2.667 -0.888 -7.681 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.262 -2.173 -7.101 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.769 0.063 -8.152 1.00 0.00 C ATOM 0 H VAL A 67 3.128 -2.352 -9.810 1.00 0.00 H new ATOM 0 HA VAL A 67 0.723 -1.394 -8.349 1.00 0.00 H new ATOM 0 HB VAL A 67 2.111 -0.388 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.954 -1.923 -6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.461 -2.800 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.795 -2.713 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.450 0.268 -7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.321 -0.397 -8.972 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.322 0.997 -8.494 1.00 0.00 H new ATOM 1080 N PHE A 68 0.529 0.811 -9.464 1.00 0.00 N ATOM 1081 CA PHE A 68 0.239 1.969 -10.293 1.00 0.00 C ATOM 1082 C PHE A 68 0.532 3.269 -9.541 1.00 0.00 C ATOM 1083 O PHE A 68 0.499 3.300 -8.311 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.252 1.914 -10.630 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.553 1.392 -12.037 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.557 0.054 -12.279 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -1.817 2.267 -13.045 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -1.836 -0.430 -13.584 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.096 1.782 -14.350 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.100 0.444 -14.592 1.00 0.00 C ATOM 0 H PHE A 68 -0.069 0.713 -8.644 1.00 0.00 H new ATOM 0 HA PHE A 68 0.860 1.951 -11.188 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.755 1.278 -9.902 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.675 2.913 -10.526 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.348 -0.640 -11.479 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.814 3.330 -12.853 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.839 -1.493 -13.776 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.305 2.476 -15.151 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.313 0.075 -15.585 1.00 0.00 H new ATOM 1100 N PRO A 69 0.821 4.337 -10.331 1.00 0.00 N ATOM 1101 CA PRO A 69 1.120 5.636 -9.753 1.00 0.00 C ATOM 1102 C PRO A 69 -0.153 6.315 -9.241 1.00 0.00 C ATOM 1103 O PRO A 69 -1.111 6.492 -9.991 1.00 0.00 O ATOM 1104 CB PRO A 69 1.801 6.415 -10.867 1.00 0.00 C ATOM 1105 CG PRO A 69 1.443 5.696 -12.157 1.00 0.00 C ATOM 1106 CD PRO A 69 0.869 4.337 -11.790 1.00 0.00 C ATOM 0 HA PRO A 69 1.767 5.568 -8.879 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.457 7.449 -10.888 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.881 6.442 -10.721 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.717 6.275 -12.728 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.325 5.580 -12.787 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.123 4.197 -12.219 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.495 3.528 -12.166 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.121 6.676 -7.966 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.259 7.331 -7.345 1.00 0.00 C ATOM 1116 C TYR A 70 -1.282 8.824 -7.679 1.00 0.00 C ATOM 1117 O TYR A 70 -0.330 9.544 -7.382 1.00 0.00 O ATOM 1118 CB TYR A 70 -1.072 7.160 -5.836 1.00 0.00 C ATOM 1119 CG TYR A 70 -1.988 8.048 -4.991 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -1.649 9.365 -4.759 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.153 7.531 -4.462 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -2.511 10.201 -3.963 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.015 8.367 -3.667 1.00 0.00 C ATOM 1124 CZ TYR A 70 -3.652 9.660 -3.457 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.466 10.450 -2.706 1.00 0.00 O ATOM 0 H TYR A 70 0.676 6.527 -7.347 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.193 6.898 -7.702 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.251 6.117 -5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.035 7.379 -5.582 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.738 9.769 -5.174 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.418 6.500 -4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.257 11.233 -3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.930 7.975 -3.247 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.244 9.932 -2.412 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.379 9.244 -8.291 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.539 10.638 -8.668 1.00 0.00 C ATOM 1137 C VAL A 71 -3.176 11.406 -7.507 1.00 0.00 C ATOM 1138 O VAL A 71 -3.702 10.803 -6.574 1.00 0.00 O ATOM 1139 CB VAL A 71 -3.342 10.741 -9.965 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -3.530 12.202 -10.380 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -2.682 9.934 -11.085 1.00 0.00 C ATOM 0 H VAL A 71 -3.166 8.643 -8.535 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.569 11.094 -8.866 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.329 10.315 -9.782 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.104 12.246 -11.305 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.064 12.737 -9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.555 12.664 -10.535 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.274 10.025 -11.996 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.677 10.316 -11.265 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.624 8.886 -10.793 1.00 0.00 H new ATOM 1151 N GLU A 72 -3.107 12.726 -7.605 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.670 13.582 -6.575 1.00 0.00 C ATOM 1153 C GLU A 72 -4.891 14.329 -7.116 1.00 0.00 C ATOM 1154 O GLU A 72 -5.991 14.197 -6.581 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.622 14.560 -6.041 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.881 14.892 -4.570 1.00 0.00 C ATOM 1157 CD GLU A 72 -4.034 15.888 -4.429 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -4.006 16.897 -5.166 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -4.917 15.619 -3.586 1.00 0.00 O ATOM 0 H GLU A 72 -2.670 13.223 -8.381 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.990 12.954 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.627 14.128 -6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.639 15.475 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.115 13.979 -4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.979 15.309 -4.123 1.00 0.00 H new ATOM 1367 N THR A 87 -11.247 -0.205 6.985 1.00 0.00 N ATOM 1368 CA THR A 87 -9.811 0.013 7.000 1.00 0.00 C ATOM 1369 C THR A 87 -9.368 0.743 5.730 1.00 0.00 C ATOM 1370 O THR A 87 -8.515 1.627 5.783 1.00 0.00 O ATOM 1371 CB THR A 87 -9.128 -1.343 7.191 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.496 -1.734 8.511 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.604 -1.228 7.247 1.00 0.00 C ATOM 0 HA THR A 87 -9.519 0.660 7.827 1.00 0.00 H new ATOM 0 HB THR A 87 -9.412 -2.010 6.377 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.432 -1.494 8.674 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.169 -2.218 7.384 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.237 -0.796 6.316 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.318 -0.588 8.082 1.00 0.00 H new ATOM 1381 N PHE A 88 -9.969 0.345 4.618 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.648 0.950 3.337 1.00 0.00 C ATOM 1383 C PHE A 88 -9.572 2.474 3.453 1.00 0.00 C ATOM 1384 O PHE A 88 -8.517 3.066 3.228 1.00 0.00 O ATOM 1385 CB PHE A 88 -10.776 0.580 2.372 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.378 0.642 0.896 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.346 1.436 0.503 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.056 -0.096 -0.023 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -8.976 1.494 -0.867 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -10.687 -0.038 -1.393 1.00 0.00 C ATOM 1391 CZ PHE A 88 -9.655 0.755 -1.786 1.00 0.00 C ATOM 0 H PHE A 88 -10.676 -0.389 4.578 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.680 0.590 2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.121 -0.428 2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.618 1.252 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.808 2.023 1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.875 -0.726 0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.156 2.124 -1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.226 -0.624 -2.123 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.374 0.798 -2.828 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.704 3.066 3.805 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.779 4.509 3.954 1.00 0.00 C ATOM 1403 C LYS A 89 -9.561 5.000 4.738 1.00 0.00 C ATOM 1404 O LYS A 89 -8.887 5.941 4.320 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.116 4.914 4.578 1.00 0.00 C ATOM 1406 CG LYS A 89 -12.845 5.933 3.700 1.00 0.00 C ATOM 1407 CD LYS A 89 -13.843 6.751 4.521 1.00 0.00 C ATOM 1408 CE LYS A 89 -13.771 8.234 4.152 1.00 0.00 C ATOM 1409 NZ LYS A 89 -15.082 8.709 3.655 1.00 0.00 N ATOM 0 H LYS A 89 -11.577 2.572 3.991 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.748 4.995 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.741 4.031 4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.946 5.337 5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.120 6.600 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.368 5.416 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.853 6.378 4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.634 6.626 5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.473 8.817 5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.008 8.388 3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.015 9.717 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.352 8.164 2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.801 8.580 4.395 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.315 4.342 5.862 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.189 4.701 6.708 1.00 0.00 C ATOM 1425 C LYS A 90 -6.905 4.680 5.876 1.00 0.00 C ATOM 1426 O LYS A 90 -6.040 5.538 6.043 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.138 3.798 7.942 1.00 0.00 C ATOM 1428 CG LYS A 90 -6.962 4.173 8.847 1.00 0.00 C ATOM 1429 CD LYS A 90 -7.286 3.884 10.314 1.00 0.00 C ATOM 1430 CE LYS A 90 -6.022 3.929 11.174 1.00 0.00 C ATOM 1431 NZ LYS A 90 -6.286 4.632 12.449 1.00 0.00 N ATOM 0 H LYS A 90 -9.876 3.563 6.206 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.306 5.716 7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.071 3.883 8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.046 2.757 7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.076 3.612 8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.726 5.230 8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.006 4.615 10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.754 2.903 10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.676 2.915 11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.224 4.436 10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.417 4.653 13.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.594 5.605 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.033 4.132 12.973 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.822 3.691 4.999 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.658 3.547 4.142 1.00 0.00 C ATOM 1447 C ALA A 91 -5.639 4.685 3.120 1.00 0.00 C ATOM 1448 O ALA A 91 -4.595 5.288 2.876 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.679 2.168 3.478 1.00 0.00 C ATOM 0 H ALA A 91 -7.542 2.981 4.863 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.741 3.613 4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.805 2.060 2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.662 1.394 4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.584 2.066 2.880 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.806 4.945 2.549 1.00 0.00 N ATOM 1456 CA LEU A 92 -6.937 6.000 1.559 1.00 0.00 C ATOM 1457 C LEU A 92 -6.419 7.314 2.149 1.00 0.00 C ATOM 1458 O LEU A 92 -5.623 8.009 1.520 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.377 6.081 1.049 1.00 0.00 C ATOM 1460 CG LEU A 92 -8.858 4.896 0.209 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.375 4.730 0.313 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.394 5.029 -1.243 1.00 0.00 C ATOM 0 H LEU A 92 -7.670 4.443 2.753 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.326 5.779 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.040 6.185 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.480 6.988 0.454 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.407 3.988 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.691 3.881 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.652 4.556 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.865 5.635 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.749 4.174 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.797 5.947 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.305 5.061 -1.275 1.00 0.00 H new ATOM 1474 N GLU A 93 -6.891 7.613 3.350 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.486 8.831 4.031 1.00 0.00 C ATOM 1476 C GLU A 93 -4.967 8.855 4.215 1.00 0.00 C ATOM 1477 O GLU A 93 -4.309 9.826 3.845 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.204 8.972 5.375 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.723 8.949 5.190 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.417 9.806 6.251 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.542 9.308 7.390 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -9.807 10.939 5.898 1.00 0.00 O ATOM 0 H GLU A 93 -7.550 7.033 3.869 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.771 9.683 3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.903 8.162 6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.906 9.905 5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.978 9.317 4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.085 7.923 5.252 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.455 7.776 4.788 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.026 7.661 5.026 1.00 0.00 C ATOM 1491 C GLU A 94 -2.255 7.822 3.714 1.00 0.00 C ATOM 1492 O GLU A 94 -1.339 8.637 3.624 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.688 6.331 5.702 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.679 6.477 7.225 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.386 5.918 7.822 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -0.314 6.427 7.428 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -1.499 4.996 8.658 1.00 0.00 O ATOM 0 H GLU A 94 -5.004 6.973 5.095 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.724 8.461 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.417 5.575 5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.713 5.983 5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.783 7.528 7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.536 5.953 7.649 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.655 7.030 2.729 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.012 7.074 1.427 1.00 0.00 C ATOM 1506 C ALA A 95 -1.917 8.527 0.959 1.00 0.00 C ATOM 1507 O ALA A 95 -0.910 8.931 0.378 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.789 6.195 0.444 1.00 0.00 C ATOM 0 H ALA A 95 -3.416 6.355 2.807 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.998 6.679 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.307 6.228 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.803 5.167 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.811 6.563 0.357 1.00 0.00 H new ATOM 1514 N ALA A 96 -2.978 9.273 1.228 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.026 10.673 0.842 1.00 0.00 C ATOM 1516 C ALA A 96 -1.979 11.454 1.638 1.00 0.00 C ATOM 1517 O ALA A 96 -1.095 12.082 1.058 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.442 11.213 1.055 1.00 0.00 C ATOM 0 H ALA A 96 -3.811 8.934 1.709 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.789 10.787 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.478 12.263 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.144 10.644 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.714 11.117 2.106 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.112 11.388 2.954 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.188 12.081 3.836 1.00 0.00 C ATOM 1526 C LYS A 97 0.236 11.923 3.301 1.00 0.00 C ATOM 1527 O LYS A 97 0.867 12.902 2.904 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.361 11.600 5.278 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.511 12.783 6.237 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.878 12.762 6.923 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.932 13.775 8.069 1.00 0.00 C ATOM 1532 NZ LYS A 97 -4.309 14.290 8.240 1.00 0.00 N ATOM 0 H LYS A 97 -2.846 10.865 3.432 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.406 13.149 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.239 10.957 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.501 10.998 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.722 12.749 6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.389 13.718 5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.657 12.989 6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.081 11.762 7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.595 13.306 8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.251 14.601 7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.329 14.976 9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.617 14.756 7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.951 13.501 8.456 1.00 0.00 H new ATOM 1546 N ARG A 98 0.702 10.682 3.307 1.00 0.00 N ATOM 1547 CA ARG A 98 2.040 10.383 2.827 1.00 0.00 C ATOM 1548 C ARG A 98 2.354 11.211 1.579 1.00 0.00 C ATOM 1549 O ARG A 98 3.282 12.019 1.583 1.00 0.00 O ATOM 1550 CB ARG A 98 2.186 8.897 2.494 1.00 0.00 C ATOM 1551 CG ARG A 98 2.238 8.052 3.769 1.00 0.00 C ATOM 1552 CD ARG A 98 3.521 8.326 4.556 1.00 0.00 C ATOM 1553 NE ARG A 98 4.041 7.065 5.131 1.00 0.00 N ATOM 1554 CZ ARG A 98 5.127 6.986 5.912 1.00 0.00 C ATOM 1555 NH1 ARG A 98 5.814 8.096 6.217 1.00 0.00 N ATOM 1556 NH2 ARG A 98 5.525 5.799 6.389 1.00 0.00 N ATOM 0 H ARG A 98 0.176 9.872 3.637 1.00 0.00 H new ATOM 0 HA ARG A 98 2.742 10.637 3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.349 8.576 1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.093 8.739 1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.371 8.273 4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.184 6.994 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.270 8.773 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.323 9.044 5.352 1.00 0.00 H new ATOM 0 HE ARG A 98 3.541 6.202 4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.510 9.000 5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.641 8.037 6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.001 4.955 6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.352 5.739 6.983 1.00 0.00 H new ATOM 1570 N PHE A 99 1.563 10.981 0.541 1.00 0.00 N ATOM 1571 CA PHE A 99 1.745 11.695 -0.711 1.00 0.00 C ATOM 1572 C PHE A 99 1.965 13.189 -0.463 1.00 0.00 C ATOM 1573 O PHE A 99 2.759 13.826 -1.153 1.00 0.00 O ATOM 1574 CB PHE A 99 0.462 11.509 -1.523 1.00 0.00 C ATOM 1575 CG PHE A 99 0.554 12.027 -2.960 1.00 0.00 C ATOM 1576 CD1 PHE A 99 1.103 11.249 -3.930 1.00 0.00 C ATOM 1577 CD2 PHE A 99 0.086 13.267 -3.266 1.00 0.00 C ATOM 1578 CE1 PHE A 99 1.188 11.730 -5.263 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.171 13.748 -4.600 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.720 12.970 -5.570 1.00 0.00 C ATOM 0 H PHE A 99 0.795 10.310 0.542 1.00 0.00 H new ATOM 0 HA PHE A 99 2.618 11.308 -1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.209 10.449 -1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.355 12.021 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.475 10.265 -3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.350 13.885 -2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.624 11.111 -6.033 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.201 14.732 -4.844 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.785 13.336 -6.584 1.00 0.00 H new ATOM 1590 N GLN A 100 1.247 13.704 0.524 1.00 0.00 N ATOM 1591 CA GLN A 100 1.353 15.111 0.871 1.00 0.00 C ATOM 1592 C GLN A 100 2.627 15.363 1.680 1.00 0.00 C ATOM 1593 O GLN A 100 3.226 16.434 1.584 1.00 0.00 O ATOM 1594 CB GLN A 100 0.115 15.582 1.638 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.167 15.086 0.966 1.00 0.00 C ATOM 1596 CD GLN A 100 -2.002 16.258 0.446 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.584 17.021 -0.408 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -3.204 16.357 1.008 1.00 0.00 N ATOM 0 H GLN A 100 0.590 13.172 1.094 1.00 0.00 H new ATOM 0 HA GLN A 100 1.410 15.689 -0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.157 15.216 2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.106 16.671 1.688 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.915 14.420 0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.753 14.504 1.677 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.492 15.684 1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.837 17.106 0.729 1.00 0.00 H new ATOM 1607 N GLU A 101 3.004 14.359 2.458 1.00 0.00 N ATOM 1608 CA GLU A 101 4.196 14.459 3.283 1.00 0.00 C ATOM 1609 C GLU A 101 5.452 14.365 2.414 1.00 0.00 C ATOM 1610 O GLU A 101 6.312 15.243 2.463 1.00 0.00 O ATOM 1611 CB GLU A 101 4.201 13.384 4.372 1.00 0.00 C ATOM 1612 CG GLU A 101 2.809 13.217 4.984 1.00 0.00 C ATOM 1613 CD GLU A 101 2.900 12.930 6.484 1.00 0.00 C ATOM 1614 OE1 GLU A 101 2.987 13.917 7.247 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.880 11.730 6.834 1.00 0.00 O ATOM 0 H GLU A 101 2.505 13.473 2.534 1.00 0.00 H new ATOM 0 HA GLU A 101 4.192 15.430 3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.533 12.435 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.915 13.653 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.224 14.122 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.284 12.402 4.485 1.00 0.00 H new ATOM 1622 N LEU A 102 5.518 13.292 1.640 1.00 0.00 N ATOM 1623 CA LEU A 102 6.655 13.072 0.762 1.00 0.00 C ATOM 1624 C LEU A 102 7.019 14.385 0.068 1.00 0.00 C ATOM 1625 O LEU A 102 8.132 14.886 0.224 1.00 0.00 O ATOM 1626 CB LEU A 102 6.368 11.923 -0.207 1.00 0.00 C ATOM 1627 CG LEU A 102 6.849 10.538 0.233 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.310 10.186 1.621 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.489 9.477 -0.808 1.00 0.00 C ATOM 0 H LEU A 102 4.803 12.566 1.602 1.00 0.00 H new ATOM 0 HA LEU A 102 7.527 12.763 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.292 11.876 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.830 12.159 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 102 7.936 10.561 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.666 9.197 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.659 10.923 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.220 10.187 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.842 8.502 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.407 9.446 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.961 9.725 -1.759 1.00 0.00 H new ATOM 1641 N LYS A 103 6.061 14.906 -0.685 1.00 0.00 N ATOM 1642 CA LYS A 103 6.267 16.152 -1.404 1.00 0.00 C ATOM 1643 C LYS A 103 6.562 17.270 -0.403 1.00 0.00 C ATOM 1644 O LYS A 103 7.270 18.224 -0.723 1.00 0.00 O ATOM 1645 CB LYS A 103 5.078 16.445 -2.320 1.00 0.00 C ATOM 1646 CG LYS A 103 3.793 16.629 -1.509 1.00 0.00 C ATOM 1647 CD LYS A 103 2.557 16.496 -2.402 1.00 0.00 C ATOM 1648 CE LYS A 103 1.720 17.776 -2.373 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.423 18.872 -3.076 1.00 0.00 N ATOM 0 H LYS A 103 5.140 14.488 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 103 7.134 16.074 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.276 17.345 -2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.951 15.627 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.752 15.886 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.797 17.609 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.865 16.281 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.951 15.654 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.753 17.596 -2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.523 18.066 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.841 19.733 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.335 19.055 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.588 18.600 -4.066 1.00 0.00 H new