USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 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= -0.935 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc=-0.00915 K(o=-0.0091,f=-1.5) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 61:sc= 0.0116 USER MOD Single : A 31 ASN : amide:sc= -7.53! C(o=-7.5!,f=-10!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.935 K(o=-0.94,f=-6.3!) USER MOD Single : A 40 GLN : amide:sc= -1.65 X(o=-1.7,f=-1.3) USER MOD Single : A 56 SER OG : rot -144:sc= 1 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.437 F(o=-1,f=-0.44) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 163:sc= 0.0405 USER MOD Single : A 63 HIS : no HE2:sc= -5.37! C(o=-5.4!,f=-6.6!) USER MOD Single : A 64 GLN : amide:sc=-0.000173 X(o=-0.00017,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 33:sc= 0.0254 USER MOD Single : A 89 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.703) 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= -0.0146 X(o=-0.015,f=-0.088) USER MOD Single : A 103 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00247) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.797 4.672 -4.233 1.00 0.00 N ATOM 125 CA TYR A 11 11.335 4.698 -2.856 1.00 0.00 C ATOM 126 C TYR A 11 10.479 5.937 -2.588 1.00 0.00 C ATOM 127 O TYR A 11 10.352 6.807 -3.448 1.00 0.00 O ATOM 128 CB TYR A 11 12.594 4.766 -1.990 1.00 0.00 C ATOM 129 CG TYR A 11 13.426 3.481 -1.999 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.799 2.253 -1.933 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.802 3.551 -2.072 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.582 1.045 -1.942 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.585 2.342 -2.081 1.00 0.00 C ATOM 134 CZ TYR A 11 14.936 1.149 -2.015 1.00 0.00 C ATOM 135 OH TYR A 11 15.675 0.007 -2.023 1.00 0.00 O ATOM 0 HA TYR A 11 10.725 3.821 -2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.216 5.592 -2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.305 4.992 -0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.722 2.199 -1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.292 4.512 -2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.105 0.078 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.663 2.382 -2.139 1.00 0.00 H new ATOM 0 HH TYR A 11 16.627 0.234 -2.079 1.00 0.00 H new ATOM 145 N LYS A 12 9.913 5.979 -1.390 1.00 0.00 N ATOM 146 CA LYS A 12 9.073 7.097 -0.998 1.00 0.00 C ATOM 147 C LYS A 12 8.197 7.511 -2.182 1.00 0.00 C ATOM 148 O LYS A 12 8.288 8.640 -2.662 1.00 0.00 O ATOM 149 CB LYS A 12 9.925 8.237 -0.436 1.00 0.00 C ATOM 150 CG LYS A 12 10.425 7.905 0.972 1.00 0.00 C ATOM 151 CD LYS A 12 10.046 9.007 1.963 1.00 0.00 C ATOM 152 CE LYS A 12 10.809 10.299 1.665 1.00 0.00 C ATOM 153 NZ LYS A 12 11.389 10.857 2.907 1.00 0.00 N ATOM 0 H LYS A 12 10.020 5.256 -0.678 1.00 0.00 H new ATOM 0 HA LYS A 12 8.402 6.804 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.775 8.419 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.339 9.156 -0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.000 6.956 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.508 7.781 0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.973 9.194 1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.264 8.678 2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.602 10.102 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.138 11.028 1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.903 11.734 2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.627 11.064 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.045 10.166 3.325 1.00 0.00 H new ATOM 167 N GLN A 13 7.367 6.575 -2.619 1.00 0.00 N ATOM 168 CA GLN A 13 6.476 6.828 -3.738 1.00 0.00 C ATOM 169 C GLN A 13 5.141 6.110 -3.526 1.00 0.00 C ATOM 170 O GLN A 13 5.107 4.891 -3.366 1.00 0.00 O ATOM 171 CB GLN A 13 7.121 6.407 -5.059 1.00 0.00 C ATOM 172 CG GLN A 13 6.127 6.524 -6.217 1.00 0.00 C ATOM 173 CD GLN A 13 6.842 6.428 -7.566 1.00 0.00 C ATOM 174 OE1 GLN A 13 8.059 6.412 -7.653 1.00 0.00 O ATOM 175 NE2 GLN A 13 6.021 6.366 -8.610 1.00 0.00 N ATOM 0 H GLN A 13 7.293 5.640 -2.218 1.00 0.00 H new ATOM 0 HA GLN A 13 6.286 7.900 -3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.992 7.032 -5.258 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.477 5.379 -4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.380 5.734 -6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.595 7.473 -6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.011 6.384 -8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.401 6.300 -9.554 1.00 0.00 H new ATOM 184 N ILE A 14 4.075 6.896 -3.532 1.00 0.00 N ATOM 185 CA ILE A 14 2.742 6.350 -3.342 1.00 0.00 C ATOM 186 C ILE A 14 2.315 5.606 -4.609 1.00 0.00 C ATOM 187 O ILE A 14 2.448 6.128 -5.715 1.00 0.00 O ATOM 188 CB ILE A 14 1.767 7.451 -2.919 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.367 8.317 -1.809 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.414 6.861 -2.517 1.00 0.00 C ATOM 191 CD1 ILE A 14 1.892 7.850 -0.432 1.00 0.00 C ATOM 0 H ILE A 14 4.107 7.907 -3.665 1.00 0.00 H new ATOM 0 HA ILE A 14 2.741 5.624 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 14 1.593 8.101 -3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.455 8.273 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.083 9.358 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.260 7.665 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.014 6.322 -3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.550 6.175 -1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.333 8.482 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.805 7.918 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.199 6.816 -0.273 1.00 0.00 H new ATOM 203 N VAL A 15 1.811 4.398 -4.406 1.00 0.00 N ATOM 204 CA VAL A 15 1.365 3.576 -5.518 1.00 0.00 C ATOM 205 C VAL A 15 0.269 2.624 -5.035 1.00 0.00 C ATOM 206 O VAL A 15 0.085 2.443 -3.832 1.00 0.00 O ATOM 207 CB VAL A 15 2.557 2.848 -6.143 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.319 3.767 -7.100 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.485 2.289 -5.063 1.00 0.00 C ATOM 0 H VAL A 15 1.701 3.968 -3.487 1.00 0.00 H new ATOM 0 HA VAL A 15 0.934 4.197 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 15 2.172 2.008 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.161 3.226 -7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.652 4.095 -7.898 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.687 4.636 -6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.324 1.776 -5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.859 3.106 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.934 1.586 -4.439 1.00 0.00 H new ATOM 219 N TRP A 16 -0.430 2.040 -5.997 1.00 0.00 N ATOM 220 CA TRP A 16 -1.502 1.111 -5.685 1.00 0.00 C ATOM 221 C TRP A 16 -0.913 -0.301 -5.662 1.00 0.00 C ATOM 222 O TRP A 16 0.094 -0.568 -6.316 1.00 0.00 O ATOM 223 CB TRP A 16 -2.661 1.258 -6.674 1.00 0.00 C ATOM 224 CG TRP A 16 -3.469 2.546 -6.498 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.295 3.720 -7.119 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.592 2.741 -5.613 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.220 4.655 -6.701 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.034 4.041 -5.756 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.214 1.850 -4.721 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.116 4.566 -5.039 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.294 2.390 -4.012 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.751 3.696 -4.145 1.00 0.00 C ATOM 0 H TRP A 16 -0.275 2.192 -6.993 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.926 1.328 -4.705 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.265 1.225 -7.689 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.329 0.404 -6.564 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.527 3.911 -7.854 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.293 5.619 -7.026 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.885 0.829 -4.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.443 5.587 -5.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.808 1.747 -3.313 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.593 4.038 -3.561 1.00 0.00 H new ATOM 243 N VAL A 17 -1.565 -1.168 -4.901 1.00 0.00 N ATOM 244 CA VAL A 17 -1.118 -2.545 -4.784 1.00 0.00 C ATOM 245 C VAL A 17 -2.198 -3.476 -5.340 1.00 0.00 C ATOM 246 O VAL A 17 -3.385 -3.278 -5.085 1.00 0.00 O ATOM 247 CB VAL A 17 -0.752 -2.855 -3.331 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.000 -2.889 -2.446 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.028 -4.167 -3.230 1.00 0.00 C ATOM 0 H VAL A 17 -2.400 -0.943 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.215 -2.705 -5.374 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.107 -2.054 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.712 -3.111 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.498 -1.920 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.681 -3.660 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.276 -4.364 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.581 -4.983 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.946 -4.090 -3.813 1.00 0.00 H new ATOM 259 N LYS A 18 -1.747 -4.472 -6.088 1.00 0.00 N ATOM 260 CA LYS A 18 -2.660 -5.434 -6.682 1.00 0.00 C ATOM 261 C LYS A 18 -2.812 -6.633 -5.744 1.00 0.00 C ATOM 262 O LYS A 18 -1.831 -7.301 -5.421 1.00 0.00 O ATOM 263 CB LYS A 18 -2.199 -5.811 -8.091 1.00 0.00 C ATOM 264 CG LYS A 18 -3.381 -5.862 -9.061 1.00 0.00 C ATOM 265 CD LYS A 18 -2.929 -6.300 -10.455 1.00 0.00 C ATOM 266 CE LYS A 18 -3.994 -7.168 -11.129 1.00 0.00 C ATOM 267 NZ LYS A 18 -4.361 -6.607 -12.448 1.00 0.00 N ATOM 0 H LYS A 18 -0.762 -4.634 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.650 -4.995 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.466 -5.085 -8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.702 -6.781 -8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.135 -6.554 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.851 -4.880 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.728 -5.422 -11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.995 -6.857 -10.380 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.619 -8.184 -11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.878 -7.228 -10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.085 -7.208 -12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.738 -5.646 -12.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.519 -6.572 -13.057 1.00 0.00 H new ATOM 366 N TRP A 24 -8.008 -3.120 -5.115 1.00 0.00 N ATOM 367 CA TRP A 24 -6.664 -2.586 -4.978 1.00 0.00 C ATOM 368 C TRP A 24 -6.557 -1.919 -3.605 1.00 0.00 C ATOM 369 O TRP A 24 -7.571 -1.647 -2.963 1.00 0.00 O ATOM 370 CB TRP A 24 -6.332 -1.636 -6.131 1.00 0.00 C ATOM 371 CG TRP A 24 -6.538 -2.246 -7.519 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.666 -2.744 -8.042 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.536 -2.404 -8.546 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.466 -3.209 -9.326 1.00 0.00 N ATOM 375 CE2 TRP A 24 -6.129 -2.995 -9.642 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.173 -2.058 -8.548 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -5.436 -3.293 -10.821 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.494 -2.362 -9.734 1.00 0.00 C ATOM 379 CH2 TRP A 24 -4.077 -2.957 -10.846 1.00 0.00 C ATOM 0 HA TRP A 24 -5.924 -3.385 -5.035 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.951 -0.743 -6.042 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.295 -1.315 -6.037 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.613 -2.777 -7.524 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -8.169 -3.632 -9.932 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.688 -1.594 -7.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.923 -3.757 -11.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.444 -2.117 -9.788 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.484 -3.159 -11.726 1.00 0.00 H new ATOM 390 N TRP A 25 -5.321 -1.675 -3.195 1.00 0.00 N ATOM 391 CA TRP A 25 -5.069 -1.046 -1.910 1.00 0.00 C ATOM 392 C TRP A 25 -3.908 -0.065 -2.084 1.00 0.00 C ATOM 393 O TRP A 25 -2.953 -0.349 -2.806 1.00 0.00 O ATOM 394 CB TRP A 25 -4.809 -2.095 -0.828 1.00 0.00 C ATOM 395 CG TRP A 25 -4.868 -1.545 0.599 1.00 0.00 C ATOM 396 CD1 TRP A 25 -3.882 -0.977 1.306 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.020 -1.534 1.469 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.311 -0.602 2.563 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.653 -0.952 2.665 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.328 -2.001 1.253 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.536 -0.782 3.738 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.199 -1.825 2.335 1.00 0.00 C ATOM 403 CH2 TRP A 25 -7.845 -1.240 3.545 1.00 0.00 C ATOM 0 H TRP A 25 -4.483 -1.902 -3.730 1.00 0.00 H new ATOM 0 HA TRP A 25 -5.945 -0.492 -1.573 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.542 -2.895 -0.929 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -3.828 -2.539 -0.995 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -2.877 -0.831 0.938 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.748 -0.151 3.284 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.637 -2.460 0.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.224 -0.323 4.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.217 -2.168 2.221 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.577 -1.139 4.333 1.00 0.00 H new ATOM 414 N PRO A 26 -4.030 1.099 -1.391 1.00 0.00 N ATOM 415 CA PRO A 26 -3.001 2.123 -1.462 1.00 0.00 C ATOM 416 C PRO A 26 -1.773 1.724 -0.642 1.00 0.00 C ATOM 417 O PRO A 26 -1.902 1.127 0.426 1.00 0.00 O ATOM 418 CB PRO A 26 -3.671 3.388 -0.951 1.00 0.00 C ATOM 419 CG PRO A 26 -4.898 2.929 -0.181 1.00 0.00 C ATOM 420 CD PRO A 26 -5.146 1.470 -0.526 1.00 0.00 C ATOM 0 HA PRO A 26 -2.621 2.269 -2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.997 3.955 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.950 4.043 -1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.742 3.046 0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.764 3.536 -0.445 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.175 0.851 0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.101 1.340 -1.034 1.00 0.00 H new ATOM 428 N ALA A 27 -0.609 2.070 -1.172 1.00 0.00 N ATOM 429 CA ALA A 27 0.641 1.755 -0.503 1.00 0.00 C ATOM 430 C ALA A 27 1.751 2.652 -1.056 1.00 0.00 C ATOM 431 O ALA A 27 1.641 3.167 -2.168 1.00 0.00 O ATOM 432 CB ALA A 27 0.953 0.267 -0.677 1.00 0.00 C ATOM 0 H ALA A 27 -0.506 2.566 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 27 0.563 1.949 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.891 0.031 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.149 -0.327 -0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.041 0.035 -1.738 1.00 0.00 H new ATOM 438 N GLU A 28 2.794 2.810 -0.256 1.00 0.00 N ATOM 439 CA GLU A 28 3.923 3.636 -0.651 1.00 0.00 C ATOM 440 C GLU A 28 5.225 2.838 -0.552 1.00 0.00 C ATOM 441 O GLU A 28 5.532 2.273 0.497 1.00 0.00 O ATOM 442 CB GLU A 28 3.994 4.909 0.194 1.00 0.00 C ATOM 443 CG GLU A 28 5.248 5.719 -0.138 1.00 0.00 C ATOM 444 CD GLU A 28 5.578 6.705 0.984 1.00 0.00 C ATOM 445 OE1 GLU A 28 4.663 7.472 1.352 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.738 6.669 1.448 1.00 0.00 O ATOM 0 H GLU A 28 2.882 2.380 0.665 1.00 0.00 H new ATOM 0 HA GLU A 28 3.782 3.937 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.107 5.517 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.995 4.648 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.090 5.045 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.098 6.262 -1.071 1.00 0.00 H new ATOM 453 N ILE A 29 5.954 2.818 -1.657 1.00 0.00 N ATOM 454 CA ILE A 29 7.216 2.099 -1.708 1.00 0.00 C ATOM 455 C ILE A 29 8.147 2.634 -0.618 1.00 0.00 C ATOM 456 O ILE A 29 8.326 3.844 -0.488 1.00 0.00 O ATOM 457 CB ILE A 29 7.814 2.164 -3.114 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.898 1.482 -4.132 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.229 1.582 -3.136 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.334 1.802 -5.564 1.00 0.00 C ATOM 0 H ILE A 29 5.695 3.288 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 29 7.059 1.040 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 29 7.892 3.212 -3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.914 0.403 -3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.870 1.811 -3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.631 1.641 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.867 2.150 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.199 0.540 -2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.666 1.305 -6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.293 2.879 -5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.354 1.450 -5.721 1.00 0.00 H new ATOM 472 N CYS A 30 8.716 1.706 0.138 1.00 0.00 N ATOM 473 CA CYS A 30 9.625 2.070 1.212 1.00 0.00 C ATOM 474 C CYS A 30 11.012 1.522 0.874 1.00 0.00 C ATOM 475 O CYS A 30 11.185 0.839 -0.135 1.00 0.00 O ATOM 476 CB CYS A 30 9.127 1.566 2.568 1.00 0.00 C ATOM 477 SG CYS A 30 7.839 2.691 3.219 1.00 0.00 S ATOM 0 H CYS A 30 8.565 0.703 0.028 1.00 0.00 H new ATOM 0 HA CYS A 30 9.676 3.155 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.723 0.559 2.465 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.958 1.506 3.271 1.00 0.00 H new ATOM 0 HG CYS A 30 6.830 2.716 2.400 1.00 0.00 H new ATOM 483 N ASN A 31 11.966 1.841 1.736 1.00 0.00 N ATOM 484 CA ASN A 31 13.333 1.390 1.542 1.00 0.00 C ATOM 485 C ASN A 31 13.608 0.198 2.461 1.00 0.00 C ATOM 486 O ASN A 31 12.938 0.026 3.478 1.00 0.00 O ATOM 487 CB ASN A 31 14.333 2.494 1.889 1.00 0.00 C ATOM 488 CG ASN A 31 14.058 3.759 1.073 1.00 0.00 C ATOM 489 OD1 ASN A 31 12.945 4.255 1.004 1.00 0.00 O ATOM 490 ND2 ASN A 31 15.131 4.252 0.461 1.00 0.00 N ATOM 0 H ASN A 31 11.819 2.407 2.572 1.00 0.00 H new ATOM 0 HA ASN A 31 13.450 1.114 0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.273 2.723 2.953 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.347 2.145 1.695 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.051 5.095 -0.108 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.034 3.787 0.561 1.00 0.00 H new ATOM 497 N PRO A 32 14.620 -0.617 2.059 1.00 0.00 N ATOM 498 CA PRO A 32 14.992 -1.787 2.835 1.00 0.00 C ATOM 499 C PRO A 32 15.765 -1.389 4.093 1.00 0.00 C ATOM 500 O PRO A 32 15.873 -2.173 5.035 1.00 0.00 O ATOM 501 CB PRO A 32 15.808 -2.647 1.884 1.00 0.00 C ATOM 502 CG PRO A 32 16.255 -1.721 0.764 1.00 0.00 C ATOM 503 CD PRO A 32 15.436 -0.445 0.860 1.00 0.00 C ATOM 0 HA PRO A 32 14.127 -2.337 3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.666 -3.086 2.393 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.212 -3.472 1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.319 -1.500 0.853 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.109 -2.197 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.078 0.432 0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.815 -0.306 -0.025 1.00 0.00 H new ATOM 511 N ARG A 33 16.284 -0.170 4.069 1.00 0.00 N ATOM 512 CA ARG A 33 17.044 0.343 5.196 1.00 0.00 C ATOM 513 C ARG A 33 16.102 0.924 6.252 1.00 0.00 C ATOM 514 O ARG A 33 16.515 1.189 7.380 1.00 0.00 O ATOM 515 CB ARG A 33 18.028 1.426 4.750 1.00 0.00 C ATOM 516 CG ARG A 33 19.086 0.850 3.806 1.00 0.00 C ATOM 517 CD ARG A 33 20.257 0.256 4.592 1.00 0.00 C ATOM 518 NE ARG A 33 21.472 1.075 4.386 1.00 0.00 N ATOM 519 CZ ARG A 33 22.582 0.972 5.130 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.638 0.085 6.132 1.00 0.00 N ATOM 521 NH2 ARG A 33 23.637 1.756 4.870 1.00 0.00 N ATOM 0 H ARG A 33 16.193 0.478 3.286 1.00 0.00 H new ATOM 0 HA ARG A 33 17.605 -0.489 5.623 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.488 2.230 4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.513 1.863 5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.638 0.081 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.450 1.633 3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.011 0.216 5.653 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.440 -0.769 4.269 1.00 0.00 H new ATOM 0 HE ARG A 33 21.464 1.761 3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.835 -0.513 6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.483 0.007 6.698 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.595 2.431 4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.482 1.678 5.436 1.00 0.00 H new ATOM 535 N SER A 34 14.852 1.104 5.849 1.00 0.00 N ATOM 536 CA SER A 34 13.848 1.648 6.747 1.00 0.00 C ATOM 537 C SER A 34 13.103 0.512 7.450 1.00 0.00 C ATOM 538 O SER A 34 13.197 0.363 8.667 1.00 0.00 O ATOM 539 CB SER A 34 12.861 2.542 5.992 1.00 0.00 C ATOM 540 OG SER A 34 12.824 3.864 6.524 1.00 0.00 O ATOM 0 H SER A 34 14.512 0.883 4.913 1.00 0.00 H new ATOM 0 HA SER A 34 14.353 2.259 7.495 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.141 2.582 4.939 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.864 2.104 6.041 1.00 0.00 H new ATOM 0 HG SER A 34 12.184 4.404 6.015 1.00 0.00 H new ATOM 546 N VAL A 35 12.379 -0.261 6.653 1.00 0.00 N ATOM 547 CA VAL A 35 11.618 -1.379 7.184 1.00 0.00 C ATOM 548 C VAL A 35 12.458 -2.108 8.234 1.00 0.00 C ATOM 549 O VAL A 35 13.684 -2.012 8.231 1.00 0.00 O ATOM 550 CB VAL A 35 11.164 -2.292 6.043 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.345 -1.513 5.011 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.360 -2.983 5.385 1.00 0.00 C ATOM 0 H VAL A 35 12.304 -0.135 5.644 1.00 0.00 H new ATOM 0 HA VAL A 35 10.714 -1.025 7.679 1.00 0.00 H new ATOM 0 HB VAL A 35 10.522 -3.064 6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.035 -2.185 4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.463 -1.089 5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.953 -0.710 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.010 -3.626 4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.038 -2.231 4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.885 -3.585 6.126 1.00 0.00 H new ATOM 562 N PRO A 36 11.746 -2.841 9.132 1.00 0.00 N ATOM 563 CA PRO A 36 12.413 -3.586 10.187 1.00 0.00 C ATOM 564 C PRO A 36 13.076 -4.848 9.631 1.00 0.00 C ATOM 565 O PRO A 36 12.573 -5.452 8.684 1.00 0.00 O ATOM 566 CB PRO A 36 11.324 -3.886 11.205 1.00 0.00 C ATOM 567 CG PRO A 36 10.006 -3.706 10.470 1.00 0.00 C ATOM 568 CD PRO A 36 10.293 -2.978 9.168 1.00 0.00 C ATOM 0 HA PRO A 36 13.227 -3.027 10.648 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.420 -4.900 11.592 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.391 -3.211 12.059 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.544 -4.673 10.272 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.304 -3.136 11.079 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.927 -3.542 8.310 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.803 -2.005 9.142 1.00 0.00 H new ATOM 576 N LEU A 37 14.193 -5.209 10.243 1.00 0.00 N ATOM 577 CA LEU A 37 14.930 -6.388 9.822 1.00 0.00 C ATOM 578 C LEU A 37 13.945 -7.518 9.514 1.00 0.00 C ATOM 579 O LEU A 37 14.108 -8.238 8.531 1.00 0.00 O ATOM 580 CB LEU A 37 15.987 -6.761 10.864 1.00 0.00 C ATOM 581 CG LEU A 37 17.442 -6.516 10.461 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.800 -7.299 9.196 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.725 -5.020 10.308 1.00 0.00 C ATOM 0 H LEU A 37 14.606 -4.706 11.028 1.00 0.00 H new ATOM 0 HA LEU A 37 15.480 -6.184 8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.784 -6.199 11.776 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.871 -7.817 11.108 1.00 0.00 H new ATOM 0 HG LEU A 37 18.084 -6.885 11.261 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.840 -7.107 8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.662 -8.365 9.377 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.153 -6.983 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.766 -4.874 10.021 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.075 -4.604 9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.536 -4.515 11.255 1.00 0.00 H new ATOM 595 N ASN A 38 12.943 -7.636 10.374 1.00 0.00 N ATOM 596 CA ASN A 38 11.932 -8.665 10.206 1.00 0.00 C ATOM 597 C ASN A 38 11.560 -8.773 8.726 1.00 0.00 C ATOM 598 O ASN A 38 11.458 -9.874 8.187 1.00 0.00 O ATOM 599 CB ASN A 38 10.662 -8.322 10.988 1.00 0.00 C ATOM 600 CG ASN A 38 9.577 -9.377 10.762 1.00 0.00 C ATOM 601 OD1 ASN A 38 9.052 -9.541 9.673 1.00 0.00 O ATOM 602 ND2 ASN A 38 9.272 -10.080 11.849 1.00 0.00 N ATOM 0 H ASN A 38 12.810 -7.036 11.188 1.00 0.00 H new ATOM 0 HA ASN A 38 12.343 -9.604 10.577 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.892 -8.254 12.051 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.293 -7.344 10.679 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.559 -10.808 11.802 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.751 -9.891 12.730 1.00 0.00 H new ATOM 609 N ILE A 39 11.369 -7.616 8.111 1.00 0.00 N ATOM 610 CA ILE A 39 11.011 -7.566 6.703 1.00 0.00 C ATOM 611 C ILE A 39 12.242 -7.896 5.857 1.00 0.00 C ATOM 612 O ILE A 39 12.196 -8.785 5.008 1.00 0.00 O ATOM 613 CB ILE A 39 10.371 -6.220 6.360 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.342 -5.816 7.418 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.770 -6.241 4.953 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.368 -6.962 7.701 1.00 0.00 C ATOM 0 H ILE A 39 11.455 -6.705 8.562 1.00 0.00 H new ATOM 0 HA ILE A 39 10.256 -8.318 6.475 1.00 0.00 H new ATOM 0 HB ILE A 39 11.152 -5.460 6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.853 -5.533 8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.790 -4.940 7.078 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.321 -5.272 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.554 -6.450 4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.006 -7.016 4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.647 -6.649 8.456 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.841 -7.226 6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.921 -7.828 8.064 1.00 0.00 H new ATOM 628 N GLN A 40 13.314 -7.161 6.117 1.00 0.00 N ATOM 629 CA GLN A 40 14.555 -7.365 5.390 1.00 0.00 C ATOM 630 C GLN A 40 14.855 -8.859 5.258 1.00 0.00 C ATOM 631 O GLN A 40 15.244 -9.326 4.189 1.00 0.00 O ATOM 632 CB GLN A 40 15.714 -6.631 6.068 1.00 0.00 C ATOM 633 CG GLN A 40 15.451 -5.125 6.124 1.00 0.00 C ATOM 634 CD GLN A 40 16.671 -4.375 6.665 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.802 -4.613 6.273 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.379 -3.459 7.584 1.00 0.00 N ATOM 0 H GLN A 40 13.348 -6.424 6.821 1.00 0.00 H new ATOM 0 HA GLN A 40 14.439 -6.949 4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.853 -7.017 7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.639 -6.822 5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.206 -4.758 5.127 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.587 -4.926 6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.410 -3.311 7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.124 -2.905 8.006 1.00 0.00 H new ATOM 645 N GLY A 41 14.662 -9.568 6.361 1.00 0.00 N ATOM 646 CA GLY A 41 14.907 -11.000 6.382 1.00 0.00 C ATOM 647 C GLY A 41 14.178 -11.698 5.231 1.00 0.00 C ATOM 648 O GLY A 41 14.662 -12.696 4.700 1.00 0.00 O ATOM 0 H GLY A 41 14.339 -9.177 7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.978 -11.191 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.574 -11.416 7.333 1.00 0.00 H new ATOM 652 N LEU A 42 13.027 -11.145 4.881 1.00 0.00 N ATOM 653 CA LEU A 42 12.227 -11.702 3.803 1.00 0.00 C ATOM 654 C LEU A 42 13.114 -11.922 2.576 1.00 0.00 C ATOM 655 O LEU A 42 13.529 -13.046 2.300 1.00 0.00 O ATOM 656 CB LEU A 42 11.008 -10.818 3.529 1.00 0.00 C ATOM 657 CG LEU A 42 10.083 -10.563 4.721 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.145 -9.387 4.445 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.316 -11.831 5.101 1.00 0.00 C ATOM 0 H LEU A 42 12.629 -10.317 5.324 1.00 0.00 H new ATOM 0 HA LEU A 42 11.829 -12.676 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.358 -9.856 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.423 -11.277 2.732 1.00 0.00 H new ATOM 0 HG LEU A 42 10.698 -10.290 5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.498 -9.227 5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.733 -8.488 4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.534 -9.607 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.666 -11.622 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.713 -12.159 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.022 -12.617 5.369 1.00 0.00 H new ATOM 748 N ASP A 48 11.616 -6.506 -7.030 1.00 0.00 N ATOM 749 CA ASP A 48 10.698 -6.491 -5.904 1.00 0.00 C ATOM 750 C ASP A 48 11.308 -5.671 -4.765 1.00 0.00 C ATOM 751 O ASP A 48 12.395 -5.986 -4.282 1.00 0.00 O ATOM 752 CB ASP A 48 10.441 -7.906 -5.383 1.00 0.00 C ATOM 753 CG ASP A 48 10.004 -8.917 -6.446 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.605 -8.884 -7.541 1.00 0.00 O ATOM 755 OD2 ASP A 48 9.079 -9.699 -6.138 1.00 0.00 O ATOM 0 HA ASP A 48 9.758 -6.055 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.350 -8.272 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.673 -7.859 -4.611 1.00 0.00 H new ATOM 760 N PHE A 49 10.582 -4.636 -4.369 1.00 0.00 N ATOM 761 CA PHE A 49 11.038 -3.769 -3.296 1.00 0.00 C ATOM 762 C PHE A 49 10.054 -3.782 -2.125 1.00 0.00 C ATOM 763 O PHE A 49 8.908 -4.201 -2.277 1.00 0.00 O ATOM 764 CB PHE A 49 11.114 -2.352 -3.868 1.00 0.00 C ATOM 765 CG PHE A 49 9.999 -2.021 -4.862 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.735 -1.795 -4.415 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.273 -1.953 -6.192 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.700 -1.489 -5.337 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.238 -1.647 -7.115 1.00 0.00 C ATOM 770 CZ PHE A 49 7.973 -1.421 -6.668 1.00 0.00 C ATOM 0 H PHE A 49 9.681 -4.378 -4.772 1.00 0.00 H new ATOM 0 HA PHE A 49 12.005 -4.111 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.078 -1.637 -3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.077 -2.222 -4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.518 -1.848 -3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.277 -2.132 -6.546 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.696 -1.310 -4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.455 -1.594 -8.172 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.186 -1.188 -7.370 1.00 0.00 H new ATOM 780 N PRO A 50 10.551 -3.305 -0.952 1.00 0.00 N ATOM 781 CA PRO A 50 9.728 -3.258 0.245 1.00 0.00 C ATOM 782 C PRO A 50 8.715 -2.114 0.169 1.00 0.00 C ATOM 783 O PRO A 50 9.084 -0.969 -0.090 1.00 0.00 O ATOM 784 CB PRO A 50 10.712 -3.104 1.393 1.00 0.00 C ATOM 785 CG PRO A 50 12.005 -2.606 0.770 1.00 0.00 C ATOM 786 CD PRO A 50 11.903 -2.801 -0.734 1.00 0.00 C ATOM 0 HA PRO A 50 9.122 -4.155 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.339 -2.398 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.866 -4.054 1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.163 -1.554 1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.858 -3.155 1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.067 -1.864 -1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.652 -3.507 -1.093 1.00 0.00 H new ATOM 794 N VAL A 51 7.457 -2.463 0.399 1.00 0.00 N ATOM 795 CA VAL A 51 6.388 -1.479 0.359 1.00 0.00 C ATOM 796 C VAL A 51 5.536 -1.608 1.623 1.00 0.00 C ATOM 797 O VAL A 51 5.335 -2.710 2.131 1.00 0.00 O ATOM 798 CB VAL A 51 5.577 -1.640 -0.928 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.474 -1.512 -2.161 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.819 -2.969 -0.936 1.00 0.00 C ATOM 0 H VAL A 51 7.154 -3.413 0.614 1.00 0.00 H new ATOM 0 HA VAL A 51 6.798 -0.469 0.344 1.00 0.00 H new ATOM 0 HB VAL A 51 4.842 -0.836 -0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.873 -1.630 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.947 -0.530 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.243 -2.284 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.251 -3.058 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.529 -3.793 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.137 -3.004 -0.087 1.00 0.00 H new ATOM 810 N PHE A 52 5.058 -0.466 2.095 1.00 0.00 N ATOM 811 CA PHE A 52 4.232 -0.437 3.290 1.00 0.00 C ATOM 812 C PHE A 52 2.757 -0.244 2.932 1.00 0.00 C ATOM 813 O PHE A 52 2.397 0.728 2.269 1.00 0.00 O ATOM 814 CB PHE A 52 4.701 0.752 4.130 1.00 0.00 C ATOM 815 CG PHE A 52 3.880 0.979 5.401 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.863 0.032 6.377 1.00 0.00 C ATOM 817 CD2 PHE A 52 3.169 2.128 5.555 1.00 0.00 C ATOM 818 CE1 PHE A 52 3.101 0.243 7.557 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.407 2.338 6.735 1.00 0.00 C ATOM 820 CZ PHE A 52 2.390 1.391 7.711 1.00 0.00 C ATOM 0 H PHE A 52 5.227 0.446 1.671 1.00 0.00 H new ATOM 0 HA PHE A 52 4.327 -1.379 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.744 0.599 4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.662 1.654 3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.429 -0.880 6.255 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.184 2.880 4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.087 -0.509 8.332 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.841 3.250 6.857 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.811 1.551 8.609 1.00 0.00 H new ATOM 830 N PHE A 53 1.942 -1.185 3.388 1.00 0.00 N ATOM 831 CA PHE A 53 0.514 -1.130 3.124 1.00 0.00 C ATOM 832 C PHE A 53 -0.214 -0.340 4.213 1.00 0.00 C ATOM 833 O PHE A 53 -0.141 -0.687 5.391 1.00 0.00 O ATOM 834 CB PHE A 53 0.003 -2.572 3.128 1.00 0.00 C ATOM 835 CG PHE A 53 0.361 -3.363 1.868 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.657 -3.451 1.466 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.617 -3.978 1.151 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.989 -4.185 0.297 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.285 -4.712 -0.018 1.00 0.00 C ATOM 840 CZ PHE A 53 1.011 -4.800 -0.421 1.00 0.00 C ATOM 0 H PHE A 53 2.244 -1.989 3.938 1.00 0.00 H new ATOM 0 HA PHE A 53 0.330 -0.636 2.170 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.411 -3.089 3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.081 -2.562 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.434 -2.963 2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.646 -3.908 1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.018 -4.255 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.062 -5.201 -0.587 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.263 -5.358 -1.311 1.00 0.00 H new ATOM 850 N PHE A 54 -0.901 0.708 3.780 1.00 0.00 N ATOM 851 CA PHE A 54 -1.642 1.550 4.704 1.00 0.00 C ATOM 852 C PHE A 54 -2.824 0.791 5.309 1.00 0.00 C ATOM 853 O PHE A 54 -3.174 -0.293 4.846 1.00 0.00 O ATOM 854 CB PHE A 54 -2.172 2.738 3.898 1.00 0.00 C ATOM 855 CG PHE A 54 -1.083 3.542 3.185 1.00 0.00 C ATOM 856 CD1 PHE A 54 -0.052 4.070 3.897 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.148 3.730 1.840 1.00 0.00 C ATOM 858 CE1 PHE A 54 0.959 4.816 3.236 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.137 4.477 1.178 1.00 0.00 C ATOM 860 CZ PHE A 54 0.895 5.004 1.890 1.00 0.00 C ATOM 0 H PHE A 54 -0.960 0.993 2.802 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.994 1.869 5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.883 2.373 3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.720 3.402 4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.002 3.922 4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.968 3.312 1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.779 5.234 3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.188 4.626 0.110 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.664 5.572 1.387 1.00 0.00 H new ATOM 870 N GLY A 55 -3.407 1.391 6.337 1.00 0.00 N ATOM 871 CA GLY A 55 -4.543 0.785 7.011 1.00 0.00 C ATOM 872 C GLY A 55 -4.106 -0.421 7.845 1.00 0.00 C ATOM 873 O GLY A 55 -4.312 -0.449 9.057 1.00 0.00 O ATOM 0 H GLY A 55 -3.114 2.290 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.024 1.522 7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.284 0.473 6.274 1.00 0.00 H new ATOM 877 N SER A 56 -3.512 -1.388 7.162 1.00 0.00 N ATOM 878 CA SER A 56 -3.044 -2.594 7.824 1.00 0.00 C ATOM 879 C SER A 56 -1.671 -2.347 8.452 1.00 0.00 C ATOM 880 O SER A 56 -1.447 -2.681 9.615 1.00 0.00 O ATOM 881 CB SER A 56 -2.977 -3.769 6.846 1.00 0.00 C ATOM 882 OG SER A 56 -2.768 -5.009 7.516 1.00 0.00 O ATOM 0 H SER A 56 -3.344 -1.361 6.156 1.00 0.00 H new ATOM 0 HA SER A 56 -3.755 -2.851 8.609 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.903 -3.818 6.274 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.170 -3.602 6.133 1.00 0.00 H new ATOM 0 HG SER A 56 -2.191 -5.583 6.970 1.00 0.00 H new ATOM 888 N HIS A 57 -0.787 -1.764 7.655 1.00 0.00 N ATOM 889 CA HIS A 57 0.558 -1.468 8.119 1.00 0.00 C ATOM 890 C HIS A 57 1.394 -2.749 8.119 1.00 0.00 C ATOM 891 O HIS A 57 1.732 -3.274 9.178 1.00 0.00 O ATOM 892 CB HIS A 57 0.523 -0.783 9.487 1.00 0.00 C ATOM 893 CG HIS A 57 -0.512 0.311 9.599 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.197 0.993 8.637 1.00 0.00 N flip ATOM 895 CD2 HIS A 57 -0.942 0.814 10.815 1.00 0.00 C flip ATOM 896 CE1 HIS A 57 -2.002 1.864 9.232 1.00 0.00 C flip ATOM 897 NE2 HIS A 57 -1.845 1.754 10.583 1.00 0.00 N flip ATOM 0 H HIS A 57 -0.976 -1.489 6.691 1.00 0.00 H new ATOM 0 HA HIS A 57 1.035 -0.764 7.437 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.328 -1.534 10.253 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.506 -0.362 9.696 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.599 0.494 11.788 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.671 2.547 8.730 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.337 2.300 11.290 1.00 0.00 H new ATOM 905 N ASP A 58 1.702 -3.216 6.918 1.00 0.00 N ATOM 906 CA ASP A 58 2.492 -4.426 6.765 1.00 0.00 C ATOM 907 C ASP A 58 3.417 -4.278 5.555 1.00 0.00 C ATOM 908 O ASP A 58 3.016 -3.736 4.526 1.00 0.00 O ATOM 909 CB ASP A 58 1.596 -5.643 6.529 1.00 0.00 C ATOM 910 CG ASP A 58 0.291 -5.650 7.328 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.340 -5.217 8.499 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.727 -6.088 6.749 1.00 0.00 O ATOM 0 H ASP A 58 1.419 -2.778 6.041 1.00 0.00 H new ATOM 0 HA ASP A 58 3.065 -4.572 7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.355 -5.697 5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.159 -6.543 6.774 1.00 0.00 H new ATOM 917 N TYR A 59 4.637 -4.768 5.719 1.00 0.00 N ATOM 918 CA TYR A 59 5.621 -4.697 4.652 1.00 0.00 C ATOM 919 C TYR A 59 5.661 -6.002 3.855 1.00 0.00 C ATOM 920 O TYR A 59 5.510 -7.084 4.421 1.00 0.00 O ATOM 921 CB TYR A 59 6.972 -4.491 5.339 1.00 0.00 C ATOM 922 CG TYR A 59 7.024 -3.266 6.255 1.00 0.00 C ATOM 923 CD1 TYR A 59 7.173 -2.005 5.714 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.923 -3.423 7.623 1.00 0.00 C ATOM 925 CE1 TYR A 59 7.222 -0.853 6.576 1.00 0.00 C ATOM 926 CE2 TYR A 59 6.972 -2.270 8.485 1.00 0.00 C ATOM 927 CZ TYR A 59 7.119 -1.042 7.919 1.00 0.00 C ATOM 928 OH TYR A 59 7.165 0.046 8.733 1.00 0.00 O ATOM 0 H TYR A 59 4.966 -5.216 6.574 1.00 0.00 H new ATOM 0 HA TYR A 59 5.378 -3.893 3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.210 -5.380 5.924 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.745 -4.395 4.576 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.253 -1.882 4.644 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.807 -4.410 8.047 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.338 0.139 6.165 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.894 -2.378 9.557 1.00 0.00 H new ATOM 0 HH TYR A 59 7.078 -0.240 9.666 1.00 0.00 H new ATOM 938 N TYR A 60 5.866 -5.858 2.554 1.00 0.00 N ATOM 939 CA TYR A 60 5.929 -7.012 1.674 1.00 0.00 C ATOM 940 C TYR A 60 6.847 -6.742 0.480 1.00 0.00 C ATOM 941 O TYR A 60 7.010 -5.596 0.065 1.00 0.00 O ATOM 942 CB TYR A 60 4.502 -7.232 1.166 1.00 0.00 C ATOM 943 CG TYR A 60 3.496 -7.578 2.265 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.663 -8.723 3.017 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.423 -6.744 2.505 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.716 -9.048 4.052 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.476 -7.070 3.540 1.00 0.00 C ATOM 948 CZ TYR A 60 1.669 -8.206 4.262 1.00 0.00 C ATOM 949 OH TYR A 60 0.775 -8.513 5.240 1.00 0.00 O ATOM 0 H TYR A 60 5.991 -4.959 2.088 1.00 0.00 H new ATOM 0 HA TYR A 60 6.323 -7.879 2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.167 -6.331 0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.510 -8.035 0.429 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.503 -9.375 2.829 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.293 -5.847 1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.835 -9.941 4.648 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.632 -6.427 3.738 1.00 0.00 H new ATOM 0 HH TYR A 60 0.250 -7.717 5.465 1.00 0.00 H new ATOM 959 N TRP A 61 7.422 -7.817 -0.038 1.00 0.00 N ATOM 960 CA TRP A 61 8.319 -7.710 -1.176 1.00 0.00 C ATOM 961 C TRP A 61 7.525 -8.054 -2.438 1.00 0.00 C ATOM 962 O TRP A 61 7.456 -9.216 -2.835 1.00 0.00 O ATOM 963 CB TRP A 61 9.553 -8.596 -0.986 1.00 0.00 C ATOM 964 CG TRP A 61 10.491 -8.126 0.127 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.424 -8.408 1.436 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.647 -7.275 -0.024 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.448 -7.803 2.136 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.215 -7.093 1.220 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.194 -6.680 -1.174 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.359 -6.315 1.433 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.337 -5.906 -0.944 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.922 -5.712 0.302 1.00 0.00 C ATOM 0 H TRP A 61 7.284 -8.766 0.309 1.00 0.00 H new ATOM 0 HA TRP A 61 8.702 -6.694 -1.272 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.227 -9.613 -0.767 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.108 -8.634 -1.923 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.664 -9.030 1.886 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.612 -7.865 3.141 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.766 -6.810 -2.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.785 -6.187 2.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.797 -5.425 -1.795 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.806 -5.099 0.397 1.00 0.00 H new ATOM 983 N VAL A 62 6.946 -7.021 -3.033 1.00 0.00 N ATOM 984 CA VAL A 62 6.160 -7.199 -4.242 1.00 0.00 C ATOM 985 C VAL A 62 6.970 -6.718 -5.448 1.00 0.00 C ATOM 986 O VAL A 62 7.661 -5.703 -5.371 1.00 0.00 O ATOM 987 CB VAL A 62 4.815 -6.483 -4.102 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.098 -6.910 -2.819 1.00 0.00 C ATOM 989 CG2 VAL A 62 4.994 -4.965 -4.150 1.00 0.00 C ATOM 0 H VAL A 62 7.006 -6.059 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 62 5.937 -8.254 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 62 4.191 -6.773 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.145 -6.387 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.921 -7.985 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.717 -6.663 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.023 -4.481 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.644 -4.649 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.443 -4.681 -5.102 1.00 0.00 H new ATOM 999 N HIS A 63 6.858 -7.469 -6.534 1.00 0.00 N ATOM 1000 CA HIS A 63 7.572 -7.131 -7.754 1.00 0.00 C ATOM 1001 C HIS A 63 7.157 -5.735 -8.221 1.00 0.00 C ATOM 1002 O HIS A 63 6.319 -5.089 -7.593 1.00 0.00 O ATOM 1003 CB HIS A 63 7.355 -8.203 -8.823 1.00 0.00 C ATOM 1004 CG HIS A 63 5.935 -8.710 -8.907 1.00 0.00 C ATOM 1005 ND1 HIS A 63 5.580 -9.827 -9.643 1.00 0.00 N ATOM 1006 CD2 HIS A 63 4.787 -8.241 -8.340 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.274 -10.013 -9.517 1.00 0.00 C ATOM 1008 NE2 HIS A 63 3.784 -9.029 -8.710 1.00 0.00 N ATOM 0 H HIS A 63 6.284 -8.310 -6.595 1.00 0.00 H new ATOM 0 HA HIS A 63 8.644 -7.106 -7.559 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.643 -7.797 -9.793 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.018 -9.044 -8.619 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.216 -10.408 -10.189 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.707 -7.376 -7.699 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.699 -10.805 -9.973 1.00 0.00 H new ATOM 1016 N GLN A 64 7.762 -5.310 -9.320 1.00 0.00 N ATOM 1017 CA GLN A 64 7.466 -4.002 -9.880 1.00 0.00 C ATOM 1018 C GLN A 64 6.635 -4.146 -11.157 1.00 0.00 C ATOM 1019 O GLN A 64 6.742 -5.149 -11.860 1.00 0.00 O ATOM 1020 CB GLN A 64 8.751 -3.216 -10.147 1.00 0.00 C ATOM 1021 CG GLN A 64 9.489 -3.771 -11.367 1.00 0.00 C ATOM 1022 CD GLN A 64 10.607 -2.824 -11.810 1.00 0.00 C ATOM 1023 OE1 GLN A 64 11.667 -2.752 -11.211 1.00 0.00 O ATOM 1024 NE2 GLN A 64 10.310 -2.105 -12.888 1.00 0.00 N ATOM 0 H GLN A 64 8.456 -5.848 -9.838 1.00 0.00 H new ATOM 0 HA GLN A 64 6.881 -3.441 -9.151 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.512 -2.165 -10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.399 -3.264 -9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.909 -4.748 -11.129 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.785 -3.917 -12.187 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.403 -2.215 -13.341 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.990 -1.443 -13.263 1.00 0.00 H new ATOM 1033 N GLY A 65 5.827 -3.129 -11.417 1.00 0.00 N ATOM 1034 CA GLY A 65 4.980 -3.130 -12.597 1.00 0.00 C ATOM 1035 C GLY A 65 3.537 -3.489 -12.235 1.00 0.00 C ATOM 1036 O GLY A 65 2.620 -3.257 -13.021 1.00 0.00 O ATOM 0 H GLY A 65 5.741 -2.299 -10.831 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.007 -2.148 -13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.365 -3.844 -13.325 1.00 0.00 H new ATOM 1040 N ARG A 66 3.381 -4.050 -11.045 1.00 0.00 N ATOM 1041 CA ARG A 66 2.066 -4.443 -10.569 1.00 0.00 C ATOM 1042 C ARG A 66 1.421 -3.299 -9.785 1.00 0.00 C ATOM 1043 O ARG A 66 0.232 -3.349 -9.473 1.00 0.00 O ATOM 1044 CB ARG A 66 2.152 -5.681 -9.674 1.00 0.00 C ATOM 1045 CG ARG A 66 2.479 -6.930 -10.495 1.00 0.00 C ATOM 1046 CD ARG A 66 1.417 -8.013 -10.294 1.00 0.00 C ATOM 1047 NE ARG A 66 1.716 -9.182 -11.150 1.00 0.00 N ATOM 1048 CZ ARG A 66 1.548 -9.202 -12.480 1.00 0.00 C ATOM 1049 NH1 ARG A 66 1.080 -8.117 -13.112 1.00 0.00 N ATOM 1050 NH2 ARG A 66 1.846 -10.307 -13.176 1.00 0.00 N ATOM 0 H ARG A 66 4.144 -4.242 -10.396 1.00 0.00 H new ATOM 0 HA ARG A 66 1.455 -4.680 -11.440 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.918 -5.531 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.206 -5.823 -9.151 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.542 -6.669 -11.551 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.456 -7.315 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.389 -8.316 -9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.431 -7.617 -10.537 1.00 0.00 H new ATOM 0 HE ARG A 66 2.072 -10.025 -10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.852 -7.276 -12.581 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.952 -8.132 -14.124 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.201 -11.133 -12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.718 -10.322 -14.188 1.00 0.00 H new ATOM 1064 N VAL A 67 2.233 -2.295 -9.490 1.00 0.00 N ATOM 1065 CA VAL A 67 1.756 -1.140 -8.748 1.00 0.00 C ATOM 1066 C VAL A 67 1.459 0.000 -9.724 1.00 0.00 C ATOM 1067 O VAL A 67 2.076 0.092 -10.783 1.00 0.00 O ATOM 1068 CB VAL A 67 2.771 -0.755 -7.670 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.417 -1.998 -7.056 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.832 0.195 -8.230 1.00 0.00 C ATOM 0 H VAL A 67 3.218 -2.257 -9.751 1.00 0.00 H new ATOM 0 HA VAL A 67 0.826 -1.376 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 67 2.236 -0.230 -6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.134 -1.696 -6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.647 -2.622 -6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.931 -2.563 -7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.541 0.453 -7.443 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.361 -0.292 -9.049 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.351 1.102 -8.597 1.00 0.00 H new ATOM 1080 N PHE A 68 0.512 0.841 -9.331 1.00 0.00 N ATOM 1081 CA PHE A 68 0.125 1.971 -10.158 1.00 0.00 C ATOM 1082 C PHE A 68 0.446 3.295 -9.462 1.00 0.00 C ATOM 1083 O PHE A 68 0.442 3.372 -8.234 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.387 1.873 -10.370 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.790 1.400 -11.768 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.824 0.071 -12.053 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.114 2.310 -12.727 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -2.198 -0.368 -13.351 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.488 1.871 -14.024 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.522 0.541 -14.309 1.00 0.00 C ATOM 0 H PHE A 68 0.002 0.762 -8.451 1.00 0.00 H new ATOM 0 HA PHE A 68 0.670 1.946 -11.101 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.803 1.188 -9.632 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.834 2.850 -10.185 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.567 -0.651 -11.292 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.087 3.366 -12.501 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.225 -1.424 -13.577 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.746 2.593 -14.785 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.806 0.207 -15.296 1.00 0.00 H new ATOM 1100 N PRO A 69 0.724 4.331 -10.298 1.00 0.00 N ATOM 1101 CA PRO A 69 1.047 5.648 -9.775 1.00 0.00 C ATOM 1102 C PRO A 69 -0.208 6.356 -9.259 1.00 0.00 C ATOM 1103 O PRO A 69 -1.183 6.511 -9.992 1.00 0.00 O ATOM 1104 CB PRO A 69 1.707 6.380 -10.933 1.00 0.00 C ATOM 1105 CG PRO A 69 1.313 5.617 -12.187 1.00 0.00 C ATOM 1106 CD PRO A 69 0.739 4.277 -11.757 1.00 0.00 C ATOM 0 HA PRO A 69 1.715 5.607 -8.914 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.370 7.415 -10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.790 6.403 -10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.578 6.181 -12.761 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.179 5.472 -12.833 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.264 4.129 -12.158 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.352 3.450 -12.116 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.142 6.765 -8.001 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.260 7.453 -7.378 1.00 0.00 C ATOM 1116 C TYR A 70 -1.234 8.948 -7.701 1.00 0.00 C ATOM 1117 O TYR A 70 -0.265 9.638 -7.385 1.00 0.00 O ATOM 1118 CB TYR A 70 -1.083 7.265 -5.870 1.00 0.00 C ATOM 1119 CG TYR A 70 -2.025 8.122 -5.022 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -1.756 9.462 -4.831 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.145 7.555 -4.447 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -2.642 10.269 -4.033 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.031 8.361 -3.649 1.00 0.00 C ATOM 1124 CZ TYR A 70 -3.736 9.678 -3.481 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.574 10.440 -2.727 1.00 0.00 O ATOM 0 H TYR A 70 0.668 6.633 -7.396 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.207 7.053 -7.741 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.243 6.215 -5.624 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.053 7.502 -5.603 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.880 9.906 -5.281 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.356 6.506 -4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.443 11.319 -3.876 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.910 7.930 -3.194 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.313 9.886 -2.398 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.309 9.405 -8.326 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.421 10.806 -8.695 1.00 0.00 C ATOM 1137 C VAL A 71 -3.039 11.587 -7.533 1.00 0.00 C ATOM 1138 O VAL A 71 -3.372 11.009 -6.500 1.00 0.00 O ATOM 1139 CB VAL A 71 -3.214 10.942 -9.996 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -2.390 10.464 -11.193 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -4.543 10.190 -9.910 1.00 0.00 C ATOM 0 H VAL A 71 -3.110 8.830 -8.586 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.436 11.231 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.437 11.999 -10.143 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.977 10.571 -12.105 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.483 11.063 -11.273 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.122 9.416 -11.055 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.087 10.303 -10.848 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.352 9.133 -9.727 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.139 10.597 -9.094 1.00 0.00 H new ATOM 1151 N GLU A 72 -3.173 12.888 -7.743 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.745 13.755 -6.726 1.00 0.00 C ATOM 1153 C GLU A 72 -4.849 14.625 -7.330 1.00 0.00 C ATOM 1154 O GLU A 72 -4.604 15.386 -8.264 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.665 14.617 -6.069 1.00 0.00 C ATOM 1156 CG GLU A 72 -3.003 14.897 -4.604 1.00 0.00 C ATOM 1157 CD GLU A 72 -3.934 16.104 -4.476 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -3.629 17.127 -5.126 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -4.930 15.977 -3.731 1.00 0.00 O ATOM 0 H GLU A 72 -2.896 13.363 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.186 13.130 -5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.702 14.111 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.567 15.558 -6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.476 14.020 -4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.086 15.080 -4.044 1.00 0.00 H new ATOM 1367 N THR A 87 -11.202 0.321 7.334 1.00 0.00 N ATOM 1368 CA THR A 87 -9.762 0.390 7.160 1.00 0.00 C ATOM 1369 C THR A 87 -9.417 1.092 5.845 1.00 0.00 C ATOM 1370 O THR A 87 -8.587 2.000 5.820 1.00 0.00 O ATOM 1371 CB THR A 87 -9.205 -1.032 7.253 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.240 -1.327 8.647 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.719 -1.104 6.894 1.00 0.00 C ATOM 0 HA THR A 87 -9.298 0.988 7.944 1.00 0.00 H new ATOM 0 HB THR A 87 -9.770 -1.687 6.590 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.005 -0.874 9.058 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.374 -2.135 6.976 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.574 -0.753 5.872 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.149 -0.475 7.578 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.072 0.646 4.783 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.846 1.220 3.468 1.00 0.00 C ATOM 1383 C PHE A 88 -9.839 2.749 3.530 1.00 0.00 C ATOM 1384 O PHE A 88 -8.865 3.386 3.131 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.002 0.764 2.575 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.811 1.092 1.093 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.743 0.589 0.417 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.708 1.888 0.452 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.566 0.894 -0.958 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.531 2.193 -0.924 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.464 1.689 -1.600 1.00 0.00 C ATOM 0 H PHE A 88 -10.760 -0.107 4.807 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.880 0.894 3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.129 -0.313 2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.923 1.231 2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.030 -0.042 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.555 2.288 0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.718 0.495 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.244 2.825 -1.433 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.330 1.920 -2.646 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.936 3.294 4.035 1.00 0.00 N ATOM 1402 CA LYS A 89 -11.069 4.736 4.155 1.00 0.00 C ATOM 1403 C LYS A 89 -9.871 5.291 4.928 1.00 0.00 C ATOM 1404 O LYS A 89 -9.331 6.338 4.575 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.421 5.100 4.771 1.00 0.00 C ATOM 1406 CG LYS A 89 -13.229 5.995 3.830 1.00 0.00 C ATOM 1407 CD LYS A 89 -12.698 7.430 3.847 1.00 0.00 C ATOM 1408 CE LYS A 89 -13.371 8.250 4.950 1.00 0.00 C ATOM 1409 NZ LYS A 89 -12.614 9.496 5.203 1.00 0.00 N ATOM 0 H LYS A 89 -11.741 2.763 4.366 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.058 5.203 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.983 4.191 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.266 5.611 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.182 5.598 2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.278 5.988 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.619 7.421 4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.877 7.899 2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.394 8.491 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.430 7.661 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.366 9.553 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.745 9.496 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.199 10.316 4.944 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.491 4.565 5.970 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.368 4.972 6.796 1.00 0.00 C ATOM 1425 C LYS A 90 -7.084 4.918 5.965 1.00 0.00 C ATOM 1426 O LYS A 90 -6.228 5.795 6.081 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.309 4.131 8.073 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.091 4.504 8.920 1.00 0.00 C ATOM 1429 CD LYS A 90 -7.389 4.341 10.411 1.00 0.00 C ATOM 1430 CE LYS A 90 -6.613 3.161 11.000 1.00 0.00 C ATOM 1431 NZ LYS A 90 -7.343 2.582 12.150 1.00 0.00 N ATOM 0 H LYS A 90 -9.942 3.697 6.260 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.492 6.003 7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.219 4.281 8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.266 3.073 7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.245 3.875 8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.802 5.535 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.124 5.256 10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.458 4.187 10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.464 2.399 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.624 3.491 11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.802 1.783 12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.464 3.307 12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.277 2.249 11.836 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.990 3.882 5.145 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.825 3.703 4.296 1.00 0.00 C ATOM 1447 C ALA A 91 -5.827 4.774 3.203 1.00 0.00 C ATOM 1448 O ALA A 91 -4.777 5.311 2.854 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.824 2.284 3.722 1.00 0.00 C ATOM 0 H ALA A 91 -7.702 3.158 5.051 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.908 3.822 4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.950 2.150 3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.793 1.562 4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.729 2.129 3.134 1.00 0.00 H new ATOM 1455 N LEU A 92 -7.018 5.051 2.693 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.170 6.048 1.647 1.00 0.00 C ATOM 1457 C LEU A 92 -6.623 7.389 2.143 1.00 0.00 C ATOM 1458 O LEU A 92 -5.766 7.991 1.497 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.624 6.114 1.177 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.156 4.868 0.466 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.686 4.845 0.472 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.586 4.759 -0.949 1.00 0.00 C ATOM 0 H LEU A 92 -7.887 4.603 2.985 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.587 5.770 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.256 6.312 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.729 6.965 0.504 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.819 3.990 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.038 3.949 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.046 4.841 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.065 5.729 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.980 3.865 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.872 5.639 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.499 4.695 -0.899 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.140 7.817 3.285 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.714 9.075 3.874 1.00 0.00 C ATOM 1476 C GLU A 93 -5.199 9.073 4.092 1.00 0.00 C ATOM 1477 O GLU A 93 -4.498 9.961 3.610 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.455 9.345 5.185 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.963 9.462 4.948 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.589 10.485 5.897 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.390 10.321 7.120 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -10.254 11.408 5.378 1.00 0.00 O ATOM 0 H GLU A 93 -7.850 7.315 3.818 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.961 9.880 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.256 8.540 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.081 10.265 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.151 9.756 3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.434 8.490 5.093 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.739 8.065 4.818 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.321 7.936 5.106 1.00 0.00 C ATOM 1491 C GLU A 94 -2.506 8.043 3.815 1.00 0.00 C ATOM 1492 O GLU A 94 -1.604 8.873 3.714 1.00 0.00 O ATOM 1493 CB GLU A 94 -3.026 6.622 5.833 1.00 0.00 C ATOM 1494 CG GLU A 94 -3.003 6.828 7.349 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.682 6.342 7.949 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -0.662 7.020 7.700 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -1.722 5.303 8.642 1.00 0.00 O ATOM 0 H GLU A 94 -5.324 7.330 5.216 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.029 8.752 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.783 5.881 5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.066 6.226 5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.144 7.884 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.834 6.290 7.805 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.853 7.191 2.862 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.165 7.179 1.582 1.00 0.00 C ATOM 1506 C ALA A 95 -2.049 8.612 1.057 1.00 0.00 C ATOM 1507 O ALA A 95 -1.020 8.991 0.499 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.909 6.261 0.610 1.00 0.00 C ATOM 0 H ALA A 95 -3.602 6.504 2.950 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.155 6.785 1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.393 6.252 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.939 5.250 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.927 6.626 0.471 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.119 9.369 1.254 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.150 10.751 0.807 1.00 0.00 C ATOM 1516 C ALA A 96 -2.111 11.558 1.588 1.00 0.00 C ATOM 1517 O ALA A 96 -1.206 12.147 0.998 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.565 11.309 0.972 1.00 0.00 C ATOM 0 H ALA A 96 -3.970 9.051 1.717 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.894 10.818 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.589 12.346 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.261 10.719 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.855 11.260 2.022 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.275 11.560 2.903 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.363 12.285 3.770 1.00 0.00 C ATOM 1526 C LYS A 97 0.070 12.098 3.267 1.00 0.00 C ATOM 1527 O LYS A 97 0.705 13.053 2.822 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.562 11.866 5.228 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.760 13.088 6.128 1.00 0.00 C ATOM 1530 CD LYS A 97 -3.163 13.099 6.737 1.00 0.00 C ATOM 1531 CE LYS A 97 -3.282 14.174 7.819 1.00 0.00 C ATOM 1532 NZ LYS A 97 -4.565 14.901 7.688 1.00 0.00 N ATOM 0 H LYS A 97 -3.027 11.071 3.389 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.576 13.354 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.428 11.208 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.697 11.296 5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.015 13.083 6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.603 13.999 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.901 13.281 5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.386 12.121 7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.217 13.715 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.450 14.874 7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.630 15.627 8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.613 15.355 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.355 14.232 7.788 1.00 0.00 H new ATOM 1546 N ARG A 98 0.537 10.861 3.354 1.00 0.00 N ATOM 1547 CA ARG A 98 1.882 10.536 2.913 1.00 0.00 C ATOM 1548 C ARG A 98 2.210 11.280 1.617 1.00 0.00 C ATOM 1549 O ARG A 98 3.123 12.103 1.582 1.00 0.00 O ATOM 1550 CB ARG A 98 2.039 9.032 2.684 1.00 0.00 C ATOM 1551 CG ARG A 98 2.113 8.280 4.014 1.00 0.00 C ATOM 1552 CD ARG A 98 3.511 8.386 4.627 1.00 0.00 C ATOM 1553 NE ARG A 98 3.855 7.127 5.326 1.00 0.00 N ATOM 1554 CZ ARG A 98 4.986 6.937 6.018 1.00 0.00 C ATOM 1555 NH1 ARG A 98 5.890 7.922 6.108 1.00 0.00 N ATOM 1556 NH2 ARG A 98 5.214 5.762 6.619 1.00 0.00 N ATOM 0 H ARG A 98 0.007 10.072 3.724 1.00 0.00 H new ATOM 0 HA ARG A 98 2.572 10.846 3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.199 8.660 2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.942 8.841 2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.376 8.686 4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.859 7.232 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.244 8.590 3.847 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.548 9.221 5.326 1.00 0.00 H new ATOM 0 HE ARG A 98 3.189 6.356 5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.717 8.817 5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.751 7.777 6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.526 5.012 6.550 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.075 5.617 7.146 1.00 0.00 H new ATOM 1570 N PHE A 99 1.446 10.963 0.581 1.00 0.00 N ATOM 1571 CA PHE A 99 1.644 11.590 -0.714 1.00 0.00 C ATOM 1572 C PHE A 99 1.843 13.100 -0.568 1.00 0.00 C ATOM 1573 O PHE A 99 2.625 13.701 -1.303 1.00 0.00 O ATOM 1574 CB PHE A 99 0.377 11.333 -1.534 1.00 0.00 C ATOM 1575 CG PHE A 99 0.445 11.863 -2.967 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.956 11.083 -3.957 1.00 0.00 C ATOM 1577 CD2 PHE A 99 -0.005 13.114 -3.251 1.00 0.00 C ATOM 1578 CE1 PHE A 99 1.019 11.575 -5.288 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.058 13.606 -4.582 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.569 12.827 -5.572 1.00 0.00 C ATOM 0 H PHE A 99 0.689 10.280 0.613 1.00 0.00 H new ATOM 0 HA PHE A 99 2.531 11.178 -1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.187 10.260 -1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.471 11.793 -1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.314 10.089 -3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.410 13.734 -2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.424 10.955 -6.074 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.300 14.600 -4.808 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.618 13.202 -6.584 1.00 0.00 H new ATOM 1590 N GLN A 100 1.123 13.670 0.387 1.00 0.00 N ATOM 1591 CA GLN A 100 1.211 15.098 0.640 1.00 0.00 C ATOM 1592 C GLN A 100 2.473 15.418 1.444 1.00 0.00 C ATOM 1593 O GLN A 100 3.079 16.473 1.261 1.00 0.00 O ATOM 1594 CB GLN A 100 -0.040 15.606 1.358 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.310 15.055 0.705 1.00 0.00 C ATOM 1596 CD GLN A 100 -2.146 16.182 0.096 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.656 17.032 -0.629 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -3.433 16.141 0.429 1.00 0.00 N ATOM 0 H GLN A 100 0.476 13.168 0.995 1.00 0.00 H new ATOM 0 HA GLN A 100 1.274 15.614 -0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.008 15.309 2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.059 16.696 1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.043 14.336 -0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.901 14.519 1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.778 15.401 1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.075 16.849 0.073 1.00 0.00 H new ATOM 1607 N GLU A 101 2.831 14.488 2.317 1.00 0.00 N ATOM 1608 CA GLU A 101 4.010 14.657 3.149 1.00 0.00 C ATOM 1609 C GLU A 101 5.279 14.532 2.304 1.00 0.00 C ATOM 1610 O GLU A 101 6.123 15.428 2.309 1.00 0.00 O ATOM 1611 CB GLU A 101 4.017 13.651 4.301 1.00 0.00 C ATOM 1612 CG GLU A 101 2.620 13.503 4.909 1.00 0.00 C ATOM 1613 CD GLU A 101 2.701 13.282 6.421 1.00 0.00 C ATOM 1614 OE1 GLU A 101 2.876 12.108 6.814 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.585 14.291 7.149 1.00 0.00 O ATOM 0 H GLU A 101 2.325 13.615 2.466 1.00 0.00 H new ATOM 0 HA GLU A 101 3.984 15.656 3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.365 12.683 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.719 13.977 5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.032 14.396 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.103 12.664 4.442 1.00 0.00 H new ATOM 1622 N LEU A 102 5.375 13.415 1.600 1.00 0.00 N ATOM 1623 CA LEU A 102 6.527 13.161 0.752 1.00 0.00 C ATOM 1624 C LEU A 102 6.906 14.447 0.015 1.00 0.00 C ATOM 1625 O LEU A 102 7.985 14.997 0.234 1.00 0.00 O ATOM 1626 CB LEU A 102 6.257 11.977 -0.179 1.00 0.00 C ATOM 1627 CG LEU A 102 6.721 10.608 0.325 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.193 10.335 1.735 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.332 9.502 -0.657 1.00 0.00 C ATOM 0 H LEU A 102 4.673 12.675 1.599 1.00 0.00 H new ATOM 0 HA LEU A 102 7.387 12.873 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.185 11.928 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.742 12.174 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 102 7.809 10.617 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.537 9.356 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.562 11.102 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.103 10.353 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.673 8.540 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.248 9.483 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.797 9.694 -1.624 1.00 0.00 H new ATOM 1641 N LYS A 103 5.999 14.890 -0.842 1.00 0.00 N ATOM 1642 CA LYS A 103 6.224 16.102 -1.612 1.00 0.00 C ATOM 1643 C LYS A 103 6.601 17.241 -0.663 1.00 0.00 C ATOM 1644 O LYS A 103 7.406 18.103 -1.011 1.00 0.00 O ATOM 1645 CB LYS A 103 5.012 16.410 -2.493 1.00 0.00 C ATOM 1646 CG LYS A 103 3.743 16.551 -1.650 1.00 0.00 C ATOM 1647 CD LYS A 103 2.491 16.440 -2.521 1.00 0.00 C ATOM 1648 CE LYS A 103 1.614 17.686 -2.384 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.267 18.852 -3.020 1.00 0.00 N ATOM 0 H LYS A 103 5.106 14.431 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 103 7.061 15.968 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.187 17.331 -3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.879 15.614 -3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.725 15.778 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.749 17.512 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.780 16.307 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.921 15.557 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.644 17.508 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.430 17.895 -1.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.636 19.677 -2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.158 19.062 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.466 18.637 -4.018 1.00 0.00 H new