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= -0.636 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0448 K(o=-0.045,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= -4.97 K(o=-5,f=-8.1!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.109 F(o=-1.6,f=-0.11) USER MOD Single : A 40 GLN : amide:sc= -1.73! C(o=-1.7!,f=-2.7!) USER MOD Single : A 56 SER OG : rot 130:sc= 0.573 USER MOD Single : A 57 HIS : no HD1:sc= -1.89 X(o=-1.9,f=-1.8) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-4.6!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 33:sc= 0.0179 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= -0.224 K(o=-0.22,f=-1.9!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.854 4.669 -4.295 1.00 0.00 N ATOM 125 CA TYR A 11 11.351 4.649 -2.932 1.00 0.00 C ATOM 126 C TYR A 11 10.390 5.814 -2.685 1.00 0.00 C ATOM 127 O TYR A 11 10.236 6.688 -3.537 1.00 0.00 O ATOM 128 CB TYR A 11 12.575 4.812 -2.029 1.00 0.00 C ATOM 129 CG TYR A 11 13.466 3.570 -1.957 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.901 2.327 -1.752 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.833 3.693 -2.098 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.740 1.158 -1.685 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.671 2.524 -2.031 1.00 0.00 C ATOM 134 CZ TYR A 11 15.083 1.314 -1.827 1.00 0.00 C ATOM 135 OH TYR A 11 15.875 0.210 -1.764 1.00 0.00 O ATOM 0 HA TYR A 11 10.808 3.725 -2.737 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.169 5.652 -2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.240 5.065 -1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.831 2.231 -1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.274 4.666 -2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.312 0.179 -1.526 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.742 2.606 -2.140 1.00 0.00 H new ATOM 0 HH TYR A 11 16.812 0.472 -1.883 1.00 0.00 H new ATOM 145 N LYS A 12 9.769 5.789 -1.515 1.00 0.00 N ATOM 146 CA LYS A 12 8.828 6.832 -1.145 1.00 0.00 C ATOM 147 C LYS A 12 7.990 7.214 -2.367 1.00 0.00 C ATOM 148 O LYS A 12 8.064 8.345 -2.845 1.00 0.00 O ATOM 149 CB LYS A 12 9.561 8.014 -0.508 1.00 0.00 C ATOM 150 CG LYS A 12 9.040 8.287 0.904 1.00 0.00 C ATOM 151 CD LYS A 12 10.013 7.758 1.960 1.00 0.00 C ATOM 152 CE LYS A 12 11.245 8.659 2.070 1.00 0.00 C ATOM 153 NZ LYS A 12 12.102 8.229 3.197 1.00 0.00 N ATOM 0 H LYS A 12 9.899 5.063 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 12 8.137 6.469 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.630 7.806 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.431 8.903 -1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.896 9.359 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.066 7.815 1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.512 7.702 2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.321 6.745 1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.812 8.624 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.934 9.694 2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.933 8.851 3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.562 8.285 4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.413 7.249 3.042 1.00 0.00 H new ATOM 167 N GLN A 13 7.213 6.249 -2.836 1.00 0.00 N ATOM 168 CA GLN A 13 6.362 6.470 -3.993 1.00 0.00 C ATOM 169 C GLN A 13 5.004 5.796 -3.790 1.00 0.00 C ATOM 170 O GLN A 13 4.922 4.572 -3.699 1.00 0.00 O ATOM 171 CB GLN A 13 7.036 5.971 -5.273 1.00 0.00 C ATOM 172 CG GLN A 13 6.045 5.938 -6.438 1.00 0.00 C ATOM 173 CD GLN A 13 6.777 5.865 -7.779 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.993 5.930 -7.856 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.971 5.727 -8.829 1.00 0.00 N ATOM 0 H GLN A 13 7.155 5.312 -2.436 1.00 0.00 H new ATOM 0 HA GLN A 13 6.201 7.543 -4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.875 6.620 -5.523 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.443 4.973 -5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.384 5.078 -6.333 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.417 6.828 -6.411 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.961 5.679 -8.694 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.363 5.669 -9.769 1.00 0.00 H new ATOM 184 N ILE A 14 3.972 6.624 -3.724 1.00 0.00 N ATOM 185 CA ILE A 14 2.621 6.123 -3.533 1.00 0.00 C ATOM 186 C ILE A 14 2.186 5.355 -4.782 1.00 0.00 C ATOM 187 O ILE A 14 2.243 5.883 -5.892 1.00 0.00 O ATOM 188 CB ILE A 14 1.676 7.264 -3.152 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.260 8.104 -2.015 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.282 6.731 -2.814 1.00 0.00 C ATOM 191 CD1 ILE A 14 1.734 7.631 -0.658 1.00 0.00 C ATOM 0 H ILE A 14 4.044 7.639 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 14 2.588 5.421 -2.699 1.00 0.00 H new ATOM 0 HB ILE A 14 1.569 7.921 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.348 8.038 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.003 9.153 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.370 7.562 -2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.129 6.211 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.351 6.039 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.165 8.245 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.648 7.722 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.014 6.589 -0.502 1.00 0.00 H new ATOM 203 N VAL A 15 1.760 4.120 -4.560 1.00 0.00 N ATOM 204 CA VAL A 15 1.315 3.273 -5.654 1.00 0.00 C ATOM 205 C VAL A 15 0.083 2.482 -5.211 1.00 0.00 C ATOM 206 O VAL A 15 -0.228 2.423 -4.022 1.00 0.00 O ATOM 207 CB VAL A 15 2.464 2.378 -6.123 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.364 3.117 -7.116 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.272 1.854 -4.935 1.00 0.00 C ATOM 0 H VAL A 15 1.714 3.685 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 15 1.022 3.878 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 15 2.031 1.520 -6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.173 2.459 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.778 3.417 -7.985 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.783 4.002 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.082 1.221 -5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.689 2.694 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.622 1.273 -4.281 1.00 0.00 H new ATOM 219 N TRP A 16 -0.587 1.893 -6.192 1.00 0.00 N ATOM 220 CA TRP A 16 -1.778 1.108 -5.918 1.00 0.00 C ATOM 221 C TRP A 16 -1.397 -0.372 -5.995 1.00 0.00 C ATOM 222 O TRP A 16 -1.130 -0.893 -7.077 1.00 0.00 O ATOM 223 CB TRP A 16 -2.913 1.483 -6.873 1.00 0.00 C ATOM 224 CG TRP A 16 -3.653 2.765 -6.487 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.430 4.011 -6.927 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.751 2.878 -5.557 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.300 4.915 -6.352 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.129 4.203 -5.493 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.404 1.892 -4.797 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.173 4.664 -4.681 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.444 2.369 -3.990 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.837 3.700 -3.914 1.00 0.00 C ATOM 0 H TRP A 16 -0.327 1.944 -7.177 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.157 1.318 -4.918 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.506 1.599 -7.877 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.628 0.661 -6.912 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.665 4.275 -7.642 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.329 5.920 -6.525 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.126 0.849 -4.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.451 5.707 -4.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.978 1.652 -3.384 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.651 3.989 -3.266 1.00 0.00 H new ATOM 243 N VAL A 17 -1.383 -1.008 -4.833 1.00 0.00 N ATOM 244 CA VAL A 17 -1.039 -2.417 -4.755 1.00 0.00 C ATOM 245 C VAL A 17 -2.153 -3.246 -5.398 1.00 0.00 C ATOM 246 O VAL A 17 -3.332 -2.930 -5.248 1.00 0.00 O ATOM 247 CB VAL A 17 -0.765 -2.810 -3.302 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.070 -3.075 -2.550 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.167 -4.021 -3.227 1.00 0.00 C ATOM 0 H VAL A 17 -1.605 -0.573 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.122 -2.617 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.264 -1.972 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.846 -3.352 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.684 -2.174 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.611 -3.887 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.345 -4.279 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.294 -4.867 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.115 -3.781 -3.708 1.00 0.00 H new ATOM 259 N LYS A 18 -1.740 -4.291 -6.100 1.00 0.00 N ATOM 260 CA LYS A 18 -2.688 -5.168 -6.766 1.00 0.00 C ATOM 261 C LYS A 18 -3.109 -6.281 -5.804 1.00 0.00 C ATOM 262 O LYS A 18 -2.270 -7.042 -5.325 1.00 0.00 O ATOM 263 CB LYS A 18 -2.108 -5.681 -8.085 1.00 0.00 C ATOM 264 CG LYS A 18 -3.150 -6.485 -8.866 1.00 0.00 C ATOM 265 CD LYS A 18 -2.680 -6.746 -10.298 1.00 0.00 C ATOM 266 CE LYS A 18 -1.793 -7.991 -10.366 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.239 -8.886 -11.457 1.00 0.00 N ATOM 0 H LYS A 18 -0.761 -4.550 -6.222 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.591 -4.620 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.766 -4.840 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.237 -6.305 -7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.336 -7.433 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.095 -5.943 -8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.544 -6.875 -10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.128 -5.881 -10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.756 -7.698 -10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.828 -8.522 -9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.627 -9.726 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.221 -9.180 -11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.183 -8.382 -12.365 1.00 0.00 H new ATOM 366 N TRP A 24 -8.175 -2.756 -5.501 1.00 0.00 N ATOM 367 CA TRP A 24 -6.765 -2.631 -5.171 1.00 0.00 C ATOM 368 C TRP A 24 -6.658 -1.934 -3.813 1.00 0.00 C ATOM 369 O TRP A 24 -7.669 -1.558 -3.223 1.00 0.00 O ATOM 370 CB TRP A 24 -6.005 -1.901 -6.280 1.00 0.00 C ATOM 371 CG TRP A 24 -5.914 -2.683 -7.591 1.00 0.00 C ATOM 372 CD1 TRP A 24 -6.884 -3.367 -8.213 1.00 0.00 C ATOM 373 CD2 TRP A 24 -4.744 -2.835 -8.422 1.00 0.00 C ATOM 374 NE1 TRP A 24 -6.426 -3.946 -9.379 1.00 0.00 N ATOM 375 CE2 TRP A 24 -5.084 -3.612 -9.511 1.00 0.00 C ATOM 376 CE3 TRP A 24 -3.441 -2.332 -8.260 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -4.177 -3.956 -10.520 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -2.546 -2.684 -9.277 1.00 0.00 C ATOM 379 CH2 TRP A 24 -2.873 -3.466 -10.379 1.00 0.00 C ATOM 0 HA TRP A 24 -6.297 -3.613 -5.096 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.493 -0.945 -6.472 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.997 -1.680 -5.930 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.897 -3.454 -7.848 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.973 -4.515 -10.025 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.153 -1.722 -7.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.467 -4.567 -11.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.531 -2.323 -9.200 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.124 -3.695 -11.123 1.00 0.00 H new ATOM 390 N TRP A 25 -5.423 -1.783 -3.358 1.00 0.00 N ATOM 391 CA TRP A 25 -5.170 -1.138 -2.080 1.00 0.00 C ATOM 392 C TRP A 25 -3.996 -0.174 -2.262 1.00 0.00 C ATOM 393 O TRP A 25 -3.031 -0.490 -2.956 1.00 0.00 O ATOM 394 CB TRP A 25 -4.929 -2.174 -0.981 1.00 0.00 C ATOM 395 CG TRP A 25 -5.002 -1.605 0.437 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.032 -0.995 1.132 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.151 -1.617 1.311 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.469 -0.615 2.385 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.798 -1.005 2.497 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.444 -2.128 1.106 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.684 -0.847 3.570 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.317 -1.962 2.188 1.00 0.00 C ATOM 403 CH2 TRP A 25 -7.978 -1.348 3.388 1.00 0.00 C ATOM 0 H TRP A 25 -4.587 -2.096 -3.851 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.041 -0.568 -1.756 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.665 -2.971 -1.080 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -3.948 -2.626 -1.130 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.033 -0.822 0.759 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.918 -0.136 3.097 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.741 -2.611 0.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.385 -0.364 4.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.324 -2.337 2.083 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.710 -1.258 4.177 1.00 0.00 H new ATOM 414 N PRO A 26 -4.119 1.012 -1.608 1.00 0.00 N ATOM 415 CA PRO A 26 -3.080 2.024 -1.691 1.00 0.00 C ATOM 416 C PRO A 26 -1.871 1.639 -0.835 1.00 0.00 C ATOM 417 O PRO A 26 -2.026 1.061 0.240 1.00 0.00 O ATOM 418 CB PRO A 26 -3.746 3.311 -1.233 1.00 0.00 C ATOM 419 CG PRO A 26 -4.993 2.888 -0.473 1.00 0.00 C ATOM 420 CD PRO A 26 -5.248 1.420 -0.777 1.00 0.00 C ATOM 0 HA PRO A 26 -2.681 2.135 -2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.078 3.891 -0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.003 3.942 -2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.857 3.038 0.598 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.847 3.494 -0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.300 0.829 0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.195 1.282 -1.300 1.00 0.00 H new ATOM 428 N ALA A 27 -0.695 1.975 -1.343 1.00 0.00 N ATOM 429 CA ALA A 27 0.539 1.672 -0.639 1.00 0.00 C ATOM 430 C ALA A 27 1.659 2.567 -1.173 1.00 0.00 C ATOM 431 O ALA A 27 1.548 3.122 -2.265 1.00 0.00 O ATOM 432 CB ALA A 27 0.860 0.183 -0.789 1.00 0.00 C ATOM 0 H ALA A 27 -0.570 2.455 -2.235 1.00 0.00 H new ATOM 0 HA ALA A 27 0.433 1.877 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.786 -0.045 -0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.047 -0.409 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.976 -0.060 -1.845 1.00 0.00 H new ATOM 438 N GLU A 28 2.713 2.679 -0.378 1.00 0.00 N ATOM 439 CA GLU A 28 3.853 3.497 -0.757 1.00 0.00 C ATOM 440 C GLU A 28 5.154 2.714 -0.570 1.00 0.00 C ATOM 441 O GLU A 28 5.391 2.143 0.494 1.00 0.00 O ATOM 442 CB GLU A 28 3.879 4.803 0.038 1.00 0.00 C ATOM 443 CG GLU A 28 5.278 5.423 0.029 1.00 0.00 C ATOM 444 CD GLU A 28 5.289 6.763 0.768 1.00 0.00 C ATOM 445 OE1 GLU A 28 4.799 7.745 0.170 1.00 0.00 O ATOM 446 OE2 GLU A 28 5.787 6.774 1.914 1.00 0.00 O ATOM 0 H GLU A 28 2.802 2.217 0.527 1.00 0.00 H new ATOM 0 HA GLU A 28 3.756 3.755 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.163 5.506 -0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.568 4.614 1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.986 4.739 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.609 5.568 -0.999 1.00 0.00 H new ATOM 453 N ILE A 29 5.964 2.714 -1.618 1.00 0.00 N ATOM 454 CA ILE A 29 7.235 2.011 -1.582 1.00 0.00 C ATOM 455 C ILE A 29 8.116 2.616 -0.488 1.00 0.00 C ATOM 456 O ILE A 29 8.190 3.835 -0.349 1.00 0.00 O ATOM 457 CB ILE A 29 7.886 2.011 -2.967 1.00 0.00 C ATOM 458 CG1 ILE A 29 7.054 1.203 -3.964 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.332 1.515 -2.892 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.315 1.667 -5.399 1.00 0.00 C ATOM 0 H ILE A 29 5.765 3.190 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 29 7.084 0.962 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 29 7.916 3.038 -3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.295 0.144 -3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.995 1.310 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.772 1.525 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.907 2.168 -2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.348 0.499 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.711 1.076 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.050 2.720 -5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.370 1.536 -5.638 1.00 0.00 H new ATOM 472 N CYS A 30 8.762 1.734 0.262 1.00 0.00 N ATOM 473 CA CYS A 30 9.636 2.166 1.339 1.00 0.00 C ATOM 474 C CYS A 30 11.044 1.637 1.058 1.00 0.00 C ATOM 475 O CYS A 30 11.256 0.913 0.087 1.00 0.00 O ATOM 476 CB CYS A 30 9.117 1.710 2.705 1.00 0.00 C ATOM 477 SG CYS A 30 8.086 3.023 3.454 1.00 0.00 S ATOM 0 H CYS A 30 8.697 0.723 0.145 1.00 0.00 H new ATOM 0 HA CYS A 30 9.660 3.255 1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.533 0.796 2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.955 1.475 3.362 1.00 0.00 H new ATOM 0 HG CYS A 30 7.649 2.624 4.612 1.00 0.00 H new ATOM 483 N ASN A 31 11.969 2.021 1.925 1.00 0.00 N ATOM 484 CA ASN A 31 13.351 1.594 1.782 1.00 0.00 C ATOM 485 C ASN A 31 13.605 0.388 2.688 1.00 0.00 C ATOM 486 O ASN A 31 12.871 0.165 3.650 1.00 0.00 O ATOM 487 CB ASN A 31 14.316 2.707 2.195 1.00 0.00 C ATOM 488 CG ASN A 31 14.388 3.796 1.122 1.00 0.00 C ATOM 489 OD1 ASN A 31 13.391 4.369 0.715 1.00 0.00 O ATOM 490 ND2 ASN A 31 15.620 4.048 0.689 1.00 0.00 N ATOM 0 H ASN A 31 11.789 2.623 2.729 1.00 0.00 H new ATOM 0 HA ASN A 31 13.519 1.340 0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.991 3.143 3.140 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.309 2.289 2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.774 4.758 -0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.411 3.531 1.073 1.00 0.00 H new ATOM 497 N PRO A 32 14.673 -0.378 2.340 1.00 0.00 N ATOM 498 CA PRO A 32 15.033 -1.555 3.112 1.00 0.00 C ATOM 499 C PRO A 32 15.699 -1.164 4.432 1.00 0.00 C ATOM 500 O PRO A 32 15.749 -1.961 5.367 1.00 0.00 O ATOM 501 CB PRO A 32 15.947 -2.358 2.201 1.00 0.00 C ATOM 502 CG PRO A 32 16.437 -1.386 1.140 1.00 0.00 C ATOM 503 CD PRO A 32 15.565 -0.143 1.208 1.00 0.00 C ATOM 0 HA PRO A 32 14.166 -2.146 3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.782 -2.780 2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.412 -3.193 1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.482 -1.129 1.312 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.379 -1.840 0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.166 0.754 1.357 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.004 -0.002 0.284 1.00 0.00 H new ATOM 511 N ARG A 33 16.196 0.064 4.466 1.00 0.00 N ATOM 512 CA ARG A 33 16.857 0.572 5.656 1.00 0.00 C ATOM 513 C ARG A 33 15.830 1.171 6.619 1.00 0.00 C ATOM 514 O ARG A 33 16.163 1.513 7.753 1.00 0.00 O ATOM 515 CB ARG A 33 17.893 1.639 5.298 1.00 0.00 C ATOM 516 CG ARG A 33 19.019 1.046 4.448 1.00 0.00 C ATOM 517 CD ARG A 33 20.023 0.288 5.318 1.00 0.00 C ATOM 518 NE ARG A 33 20.726 -0.731 4.507 1.00 0.00 N ATOM 519 CZ ARG A 33 21.650 -0.447 3.580 1.00 0.00 C ATOM 520 NH1 ARG A 33 21.987 0.828 3.339 1.00 0.00 N ATOM 521 NH2 ARG A 33 22.237 -1.436 2.892 1.00 0.00 N ATOM 0 H ARG A 33 16.154 0.722 3.688 1.00 0.00 H new ATOM 0 HA ARG A 33 17.365 -0.265 6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.411 2.451 4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.308 2.068 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.599 0.373 3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.530 1.843 3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.744 0.984 5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 33 19.507 -0.190 6.151 1.00 0.00 H new ATOM 0 HE ARG A 33 20.492 -1.711 4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.540 1.581 3.862 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.691 1.045 2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.980 -2.406 3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.941 -1.219 2.186 1.00 0.00 H new ATOM 535 N SER A 34 14.603 1.280 6.133 1.00 0.00 N ATOM 536 CA SER A 34 13.525 1.832 6.936 1.00 0.00 C ATOM 537 C SER A 34 12.754 0.703 7.624 1.00 0.00 C ATOM 538 O SER A 34 12.753 0.604 8.850 1.00 0.00 O ATOM 539 CB SER A 34 12.579 2.678 6.082 1.00 0.00 C ATOM 540 OG SER A 34 12.496 4.021 6.549 1.00 0.00 O ATOM 0 H SER A 34 14.331 0.995 5.192 1.00 0.00 H new ATOM 0 HA SER A 34 13.962 2.480 7.696 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.923 2.674 5.048 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.586 2.230 6.089 1.00 0.00 H new ATOM 0 HG SER A 34 11.884 4.529 5.977 1.00 0.00 H new ATOM 546 N VAL A 35 12.116 -0.120 6.804 1.00 0.00 N ATOM 547 CA VAL A 35 11.343 -1.237 7.317 1.00 0.00 C ATOM 548 C VAL A 35 12.146 -1.949 8.408 1.00 0.00 C ATOM 549 O VAL A 35 13.371 -1.843 8.451 1.00 0.00 O ATOM 550 CB VAL A 35 10.939 -2.165 6.170 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.213 -1.391 5.068 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.155 -2.906 5.610 1.00 0.00 C ATOM 0 H VAL A 35 12.119 -0.035 5.788 1.00 0.00 H new ATOM 0 HA VAL A 35 10.418 -0.884 7.772 1.00 0.00 H new ATOM 0 HB VAL A 35 10.248 -2.908 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.937 -2.074 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.314 -0.931 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.870 -0.615 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.840 -3.559 4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.881 -2.184 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.612 -3.504 6.399 1.00 0.00 H new ATOM 562 N PRO A 36 11.404 -2.677 9.285 1.00 0.00 N ATOM 563 CA PRO A 36 12.034 -3.406 10.373 1.00 0.00 C ATOM 564 C PRO A 36 12.728 -4.669 9.857 1.00 0.00 C ATOM 565 O PRO A 36 12.298 -5.256 8.865 1.00 0.00 O ATOM 566 CB PRO A 36 10.909 -3.704 11.350 1.00 0.00 C ATOM 567 CG PRO A 36 9.619 -3.542 10.563 1.00 0.00 C ATOM 568 CD PRO A 36 9.952 -2.825 9.265 1.00 0.00 C ATOM 0 HA PRO A 36 12.825 -2.835 10.859 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.997 -4.714 11.751 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.937 -3.020 12.198 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.172 -4.515 10.358 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.890 -2.971 11.138 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.625 -3.401 8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.456 -1.856 9.209 1.00 0.00 H new ATOM 576 N LEU A 37 13.788 -5.050 10.554 1.00 0.00 N ATOM 577 CA LEU A 37 14.545 -6.232 10.179 1.00 0.00 C ATOM 578 C LEU A 37 13.577 -7.375 9.868 1.00 0.00 C ATOM 579 O LEU A 37 13.840 -8.195 8.990 1.00 0.00 O ATOM 580 CB LEU A 37 15.574 -6.574 11.259 1.00 0.00 C ATOM 581 CG LEU A 37 17.041 -6.362 10.879 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.434 -7.246 9.694 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.329 -4.883 10.611 1.00 0.00 C ATOM 0 H LEU A 37 14.141 -4.561 11.377 1.00 0.00 H new ATOM 0 HA LEU A 37 15.119 -6.045 9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.358 -5.973 12.142 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.440 -7.618 11.543 1.00 0.00 H new ATOM 0 HG LEU A 37 17.660 -6.663 11.724 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.481 -7.076 9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.290 -8.294 9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.811 -6.999 8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.378 -4.759 10.343 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.701 -4.533 9.791 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.113 -4.302 11.507 1.00 0.00 H new ATOM 595 N ASN A 38 12.476 -7.392 10.605 1.00 0.00 N ATOM 596 CA ASN A 38 11.466 -8.421 10.418 1.00 0.00 C ATOM 597 C ASN A 38 11.154 -8.559 8.927 1.00 0.00 C ATOM 598 O ASN A 38 11.056 -9.670 8.410 1.00 0.00 O ATOM 599 CB ASN A 38 10.168 -8.056 11.141 1.00 0.00 C ATOM 600 CG ASN A 38 9.276 -9.286 11.320 1.00 0.00 C ATOM 601 OD1 ASN A 38 8.705 -9.708 10.196 1.00 0.00 O flip ATOM 602 ND2 ASN A 38 9.118 -9.817 12.408 1.00 0.00 N flip ATOM 0 H ASN A 38 12.261 -6.710 11.333 1.00 0.00 H new ATOM 0 HA ASN A 38 11.856 -9.354 10.825 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.399 -7.625 12.115 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.633 -7.294 10.574 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.587 -9.441 13.232 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.517 -10.637 12.493 1.00 0.00 H new ATOM 609 N ILE A 39 11.007 -7.413 8.277 1.00 0.00 N ATOM 610 CA ILE A 39 10.708 -7.392 6.855 1.00 0.00 C ATOM 611 C ILE A 39 11.987 -7.678 6.066 1.00 0.00 C ATOM 612 O ILE A 39 12.013 -8.575 5.224 1.00 0.00 O ATOM 613 CB ILE A 39 10.028 -6.077 6.470 1.00 0.00 C ATOM 614 CG1 ILE A 39 8.928 -5.715 7.470 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.503 -6.131 5.034 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.019 -6.914 7.743 1.00 0.00 C ATOM 0 H ILE A 39 11.089 -6.493 8.709 1.00 0.00 H new ATOM 0 HA ILE A 39 9.995 -8.177 6.603 1.00 0.00 H new ATOM 0 HB ILE A 39 10.773 -5.283 6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.377 -5.375 8.403 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.336 -4.887 7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.024 -5.184 4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.333 -6.309 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.778 -6.939 4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.246 -6.629 8.457 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.552 -7.236 6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.610 -7.732 8.155 1.00 0.00 H new ATOM 628 N GLN A 40 13.016 -6.900 6.365 1.00 0.00 N ATOM 629 CA GLN A 40 14.295 -7.058 5.693 1.00 0.00 C ATOM 630 C GLN A 40 14.672 -8.538 5.613 1.00 0.00 C ATOM 631 O GLN A 40 15.205 -8.993 4.602 1.00 0.00 O ATOM 632 CB GLN A 40 15.387 -6.251 6.397 1.00 0.00 C ATOM 633 CG GLN A 40 15.046 -4.759 6.409 1.00 0.00 C ATOM 634 CD GLN A 40 16.188 -3.940 7.015 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.352 -4.120 6.696 1.00 0.00 O ATOM 636 NE2 GLN A 40 15.791 -3.034 7.904 1.00 0.00 N ATOM 0 H GLN A 40 12.991 -6.158 7.064 1.00 0.00 H new ATOM 0 HA GLN A 40 14.201 -6.672 4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.506 -6.609 7.420 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.341 -6.406 5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.850 -4.419 5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.133 -4.596 6.982 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.800 -2.936 8.125 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.478 -2.437 8.365 1.00 0.00 H new ATOM 645 N GLY A 41 14.382 -9.250 6.692 1.00 0.00 N ATOM 646 CA GLY A 41 14.684 -10.669 6.757 1.00 0.00 C ATOM 647 C GLY A 41 14.064 -11.416 5.574 1.00 0.00 C ATOM 648 O GLY A 41 14.616 -12.410 5.104 1.00 0.00 O ATOM 0 H GLY A 41 13.940 -8.870 7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.764 -10.815 6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.305 -11.083 7.692 1.00 0.00 H new ATOM 652 N LEU A 42 12.924 -10.909 5.127 1.00 0.00 N ATOM 653 CA LEU A 42 12.223 -11.515 4.008 1.00 0.00 C ATOM 654 C LEU A 42 13.205 -11.739 2.857 1.00 0.00 C ATOM 655 O LEU A 42 13.704 -12.847 2.667 1.00 0.00 O ATOM 656 CB LEU A 42 11.003 -10.676 3.622 1.00 0.00 C ATOM 657 CG LEU A 42 9.979 -10.431 4.732 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.036 -9.284 4.365 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.217 -11.715 5.068 1.00 0.00 C ATOM 0 H LEU A 42 12.469 -10.085 5.520 1.00 0.00 H new ATOM 0 HA LEU A 42 11.832 -12.493 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.352 -9.710 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.497 -11.167 2.791 1.00 0.00 H new ATOM 0 HG LEU A 42 10.516 -10.130 5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.318 -9.131 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.614 -8.372 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.503 -9.531 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.496 -11.513 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.692 -12.070 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.920 -12.478 5.403 1.00 0.00 H new ATOM 748 N ASP A 48 12.409 -6.878 -6.548 1.00 0.00 N ATOM 749 CA ASP A 48 11.379 -6.701 -5.539 1.00 0.00 C ATOM 750 C ASP A 48 11.834 -5.644 -4.530 1.00 0.00 C ATOM 751 O ASP A 48 12.965 -5.686 -4.049 1.00 0.00 O ATOM 752 CB ASP A 48 11.126 -8.004 -4.776 1.00 0.00 C ATOM 753 CG ASP A 48 10.151 -8.970 -5.452 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.417 -9.318 -6.623 1.00 0.00 O ATOM 755 OD2 ASP A 48 9.162 -9.338 -4.783 1.00 0.00 O ATOM 0 HA ASP A 48 10.463 -6.394 -6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.078 -8.514 -4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.743 -7.759 -3.785 1.00 0.00 H new ATOM 760 N PHE A 49 10.929 -4.721 -4.241 1.00 0.00 N ATOM 761 CA PHE A 49 11.224 -3.654 -3.299 1.00 0.00 C ATOM 762 C PHE A 49 10.230 -3.661 -2.135 1.00 0.00 C ATOM 763 O PHE A 49 9.113 -4.157 -2.270 1.00 0.00 O ATOM 764 CB PHE A 49 11.088 -2.334 -4.061 1.00 0.00 C ATOM 765 CG PHE A 49 9.862 -2.265 -4.972 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.675 -1.817 -4.482 1.00 0.00 C ATOM 767 CD2 PHE A 49 9.958 -2.651 -6.273 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.536 -1.752 -5.329 1.00 0.00 C ATOM 769 CE2 PHE A 49 8.820 -2.587 -7.119 1.00 0.00 C ATOM 770 CZ PHE A 49 7.633 -2.139 -6.629 1.00 0.00 C ATOM 0 H PHE A 49 9.992 -4.689 -4.642 1.00 0.00 H new ATOM 0 HA PHE A 49 12.225 -3.786 -2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.041 -1.515 -3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.984 -2.180 -4.662 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.598 -1.511 -3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.901 -3.006 -6.662 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.594 -1.395 -4.940 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.897 -2.894 -8.152 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.767 -2.091 -7.273 1.00 0.00 H new ATOM 780 N PRO A 50 10.686 -3.091 -0.987 1.00 0.00 N ATOM 781 CA PRO A 50 9.850 -3.027 0.199 1.00 0.00 C ATOM 782 C PRO A 50 8.770 -1.952 0.053 1.00 0.00 C ATOM 783 O PRO A 50 9.053 -0.839 -0.388 1.00 0.00 O ATOM 784 CB PRO A 50 10.812 -2.749 1.343 1.00 0.00 C ATOM 785 CG PRO A 50 12.079 -2.209 0.701 1.00 0.00 C ATOM 786 CD PRO A 50 12.003 -2.493 -0.790 1.00 0.00 C ATOM 0 HA PRO A 50 9.298 -3.950 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.390 -2.026 2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.018 -3.657 1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.172 -1.138 0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.959 -2.683 1.136 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.114 -1.579 -1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.797 -3.171 -1.105 1.00 0.00 H new ATOM 794 N VAL A 51 7.556 -2.324 0.430 1.00 0.00 N ATOM 795 CA VAL A 51 6.433 -1.406 0.346 1.00 0.00 C ATOM 796 C VAL A 51 5.586 -1.525 1.615 1.00 0.00 C ATOM 797 O VAL A 51 5.519 -2.592 2.223 1.00 0.00 O ATOM 798 CB VAL A 51 5.635 -1.671 -0.932 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.552 -1.696 -2.156 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.836 -2.971 -0.820 1.00 0.00 C ATOM 0 H VAL A 51 7.325 -3.248 0.794 1.00 0.00 H new ATOM 0 HA VAL A 51 6.785 -0.376 0.286 1.00 0.00 H new ATOM 0 HB VAL A 51 4.927 -0.852 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.959 -1.886 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.056 -0.735 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.295 -2.485 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.278 -3.136 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.519 -3.805 -0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.141 -2.900 0.017 1.00 0.00 H new ATOM 810 N PHE A 52 4.960 -0.415 1.977 1.00 0.00 N ATOM 811 CA PHE A 52 4.121 -0.382 3.163 1.00 0.00 C ATOM 812 C PHE A 52 2.649 -0.201 2.787 1.00 0.00 C ATOM 813 O PHE A 52 2.290 0.765 2.115 1.00 0.00 O ATOM 814 CB PHE A 52 4.573 0.818 3.997 1.00 0.00 C ATOM 815 CG PHE A 52 3.770 1.019 5.285 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.735 0.036 6.224 1.00 0.00 C ATOM 817 CD2 PHE A 52 3.093 2.180 5.490 1.00 0.00 C ATOM 818 CE1 PHE A 52 2.990 0.221 7.419 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.348 2.366 6.685 1.00 0.00 C ATOM 820 CZ PHE A 52 2.313 1.382 7.624 1.00 0.00 C ATOM 0 H PHE A 52 5.017 0.468 1.470 1.00 0.00 H new ATOM 0 HA PHE A 52 4.216 -1.318 3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.625 0.694 4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.497 1.719 3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.274 -0.886 6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.122 2.961 4.744 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.961 -0.560 8.164 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.810 3.288 6.848 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.747 1.523 8.533 1.00 0.00 H new ATOM 830 N PHE A 53 1.836 -1.145 3.238 1.00 0.00 N ATOM 831 CA PHE A 53 0.411 -1.102 2.958 1.00 0.00 C ATOM 832 C PHE A 53 -0.338 -0.323 4.041 1.00 0.00 C ATOM 833 O PHE A 53 -0.340 -0.718 5.206 1.00 0.00 O ATOM 834 CB PHE A 53 -0.087 -2.549 2.950 1.00 0.00 C ATOM 835 CG PHE A 53 0.286 -3.329 1.688 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.591 -3.458 1.329 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.688 -3.894 0.925 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.938 -4.182 0.158 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.341 -4.618 -0.247 1.00 0.00 C ATOM 840 CZ PHE A 53 0.964 -4.747 -0.605 1.00 0.00 C ATOM 0 H PHE A 53 2.137 -1.944 3.795 1.00 0.00 H new ATOM 0 HA PHE A 53 0.234 -0.605 2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.320 -3.067 3.818 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.172 -2.550 3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.364 -3.009 1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.725 -3.792 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.975 -4.284 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.114 -5.066 -0.854 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.228 -5.298 -1.496 1.00 0.00 H new ATOM 850 N PHE A 54 -0.957 0.770 3.618 1.00 0.00 N ATOM 851 CA PHE A 54 -1.707 1.608 4.537 1.00 0.00 C ATOM 852 C PHE A 54 -2.921 0.860 5.094 1.00 0.00 C ATOM 853 O PHE A 54 -3.320 -0.171 4.555 1.00 0.00 O ATOM 854 CB PHE A 54 -2.192 2.822 3.742 1.00 0.00 C ATOM 855 CG PHE A 54 -1.089 3.525 2.948 1.00 0.00 C ATOM 856 CD1 PHE A 54 0.014 3.998 3.587 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.213 3.678 1.602 1.00 0.00 C ATOM 858 CE1 PHE A 54 1.037 4.651 2.850 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.190 4.331 0.865 1.00 0.00 C ATOM 860 CZ PHE A 54 0.913 4.804 1.504 1.00 0.00 C ATOM 0 H PHE A 54 -0.954 1.094 2.651 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.075 1.898 5.376 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.975 2.504 3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.643 3.537 4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.112 3.877 4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.089 3.303 1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.913 5.026 3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.288 4.452 -0.204 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.691 5.301 0.943 1.00 0.00 H new ATOM 870 N GLY A 55 -3.473 1.410 6.166 1.00 0.00 N ATOM 871 CA GLY A 55 -4.633 0.808 6.802 1.00 0.00 C ATOM 872 C GLY A 55 -4.236 -0.432 7.605 1.00 0.00 C ATOM 873 O GLY A 55 -4.405 -0.467 8.823 1.00 0.00 O ATOM 0 H GLY A 55 -3.139 2.265 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.109 1.535 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.367 0.535 6.044 1.00 0.00 H new ATOM 877 N SER A 56 -3.716 -1.419 6.891 1.00 0.00 N ATOM 878 CA SER A 56 -3.294 -2.658 7.522 1.00 0.00 C ATOM 879 C SER A 56 -1.910 -2.479 8.151 1.00 0.00 C ATOM 880 O SER A 56 -1.635 -3.027 9.218 1.00 0.00 O ATOM 881 CB SER A 56 -3.274 -3.810 6.516 1.00 0.00 C ATOM 882 OG SER A 56 -2.301 -3.611 5.494 1.00 0.00 O ATOM 0 H SER A 56 -3.577 -1.386 5.881 1.00 0.00 H new ATOM 0 HA SER A 56 -4.013 -2.906 8.303 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.065 -4.744 7.038 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.260 -3.912 6.063 1.00 0.00 H new ATOM 0 HG SER A 56 -1.749 -4.416 5.407 1.00 0.00 H new ATOM 888 N HIS A 57 -1.078 -1.712 7.464 1.00 0.00 N ATOM 889 CA HIS A 57 0.270 -1.454 7.943 1.00 0.00 C ATOM 890 C HIS A 57 1.077 -2.754 7.927 1.00 0.00 C ATOM 891 O HIS A 57 1.444 -3.274 8.980 1.00 0.00 O ATOM 892 CB HIS A 57 0.240 -0.792 9.321 1.00 0.00 C ATOM 893 CG HIS A 57 -0.336 0.604 9.319 1.00 0.00 C ATOM 894 ND1 HIS A 57 -0.494 1.352 10.473 1.00 0.00 N ATOM 895 CD2 HIS A 57 -0.788 1.381 8.293 1.00 0.00 C ATOM 896 CE1 HIS A 57 -1.020 2.523 10.145 1.00 0.00 C ATOM 897 NE2 HIS A 57 -1.201 2.538 8.793 1.00 0.00 N ATOM 0 H HIS A 57 -1.310 -1.260 6.579 1.00 0.00 H new ATOM 0 HA HIS A 57 0.768 -0.749 7.277 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.344 -1.414 9.999 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.255 -0.755 9.717 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.806 1.101 7.250 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.263 3.324 10.827 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.590 3.312 8.255 1.00 0.00 H new ATOM 905 N ASP A 58 1.329 -3.242 6.722 1.00 0.00 N ATOM 906 CA ASP A 58 2.086 -4.471 6.555 1.00 0.00 C ATOM 907 C ASP A 58 3.057 -4.312 5.383 1.00 0.00 C ATOM 908 O ASP A 58 2.699 -3.756 4.347 1.00 0.00 O ATOM 909 CB ASP A 58 1.161 -5.650 6.246 1.00 0.00 C ATOM 910 CG ASP A 58 -0.198 -5.606 6.946 1.00 0.00 C ATOM 911 OD1 ASP A 58 -0.223 -5.152 8.111 1.00 0.00 O ATOM 912 OD2 ASP A 58 -1.183 -6.027 6.301 1.00 0.00 O ATOM 0 H ASP A 58 1.022 -2.809 5.851 1.00 0.00 H new ATOM 0 HA ASP A 58 2.621 -4.666 7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.997 -5.691 5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.668 -6.573 6.527 1.00 0.00 H new ATOM 917 N TYR A 59 4.267 -4.812 5.588 1.00 0.00 N ATOM 918 CA TYR A 59 5.293 -4.732 4.561 1.00 0.00 C ATOM 919 C TYR A 59 5.360 -6.029 3.752 1.00 0.00 C ATOM 920 O TYR A 59 5.131 -7.112 4.288 1.00 0.00 O ATOM 921 CB TYR A 59 6.617 -4.538 5.302 1.00 0.00 C ATOM 922 CG TYR A 59 6.633 -3.331 6.242 1.00 0.00 C ATOM 923 CD1 TYR A 59 6.770 -2.058 5.728 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.511 -3.516 7.605 1.00 0.00 C ATOM 925 CE1 TYR A 59 6.785 -0.922 6.614 1.00 0.00 C ATOM 926 CE2 TYR A 59 6.526 -2.381 8.490 1.00 0.00 C ATOM 927 CZ TYR A 59 6.662 -1.140 7.950 1.00 0.00 C ATOM 928 OH TYR A 59 6.677 -0.067 8.786 1.00 0.00 O ATOM 0 H TYR A 59 4.560 -5.274 6.449 1.00 0.00 H new ATOM 0 HA TYR A 59 5.080 -3.919 3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.834 -5.437 5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.418 -4.427 4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.866 -1.913 4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.404 -4.513 8.007 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.892 0.080 6.225 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.431 -2.512 9.558 1.00 0.00 H new ATOM 0 HH TYR A 59 6.579 -0.372 9.712 1.00 0.00 H new ATOM 938 N TYR A 60 5.675 -5.875 2.474 1.00 0.00 N ATOM 939 CA TYR A 60 5.775 -7.021 1.585 1.00 0.00 C ATOM 940 C TYR A 60 6.719 -6.728 0.417 1.00 0.00 C ATOM 941 O TYR A 60 6.893 -5.573 0.030 1.00 0.00 O ATOM 942 CB TYR A 60 4.365 -7.256 1.039 1.00 0.00 C ATOM 943 CG TYR A 60 3.336 -7.620 2.111 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.515 -8.748 2.885 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.227 -6.820 2.303 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.546 -9.091 3.894 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.258 -7.163 3.312 1.00 0.00 C ATOM 948 CZ TYR A 60 1.466 -8.281 4.057 1.00 0.00 C ATOM 949 OH TYR A 60 0.550 -8.605 5.010 1.00 0.00 O ATOM 0 H TYR A 60 5.864 -4.975 2.033 1.00 0.00 H new ATOM 0 HA TYR A 60 6.166 -7.887 2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.032 -6.356 0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.402 -8.055 0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.382 -9.374 2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.086 -5.937 1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.674 -9.971 4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.386 -6.546 3.473 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.167 -7.937 5.015 1.00 0.00 H new ATOM 959 N TRP A 61 7.303 -7.793 -0.112 1.00 0.00 N ATOM 960 CA TRP A 61 8.224 -7.664 -1.228 1.00 0.00 C ATOM 961 C TRP A 61 7.480 -8.063 -2.504 1.00 0.00 C ATOM 962 O TRP A 61 6.733 -9.040 -2.511 1.00 0.00 O ATOM 963 CB TRP A 61 9.491 -8.490 -0.991 1.00 0.00 C ATOM 964 CG TRP A 61 10.350 -7.991 0.172 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.258 -8.322 1.468 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.444 -7.053 0.093 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.208 -7.668 2.226 1.00 0.00 N ATOM 968 CE2 TRP A 61 11.952 -6.872 1.363 1.00 0.00 C ATOM 969 CE3 TRP A 61 11.986 -6.379 -1.015 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.026 -6.020 1.645 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.059 -5.531 -0.717 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.582 -5.338 0.556 1.00 0.00 C ATOM 0 H TRP A 61 7.156 -8.749 0.212 1.00 0.00 H new ATOM 0 HA TRP A 61 8.563 -6.633 -1.331 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.207 -9.525 -0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.091 -8.485 -1.901 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.532 -9.014 1.869 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.340 -7.753 3.234 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.605 -6.505 -2.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.405 -5.895 2.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.512 -4.989 -1.534 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.414 -4.665 0.705 1.00 0.00 H new ATOM 983 N VAL A 62 7.711 -7.287 -3.552 1.00 0.00 N ATOM 984 CA VAL A 62 7.072 -7.547 -4.831 1.00 0.00 C ATOM 985 C VAL A 62 7.952 -7.000 -5.957 1.00 0.00 C ATOM 986 O VAL A 62 8.376 -5.847 -5.913 1.00 0.00 O ATOM 987 CB VAL A 62 5.658 -6.961 -4.838 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.715 -7.792 -3.966 1.00 0.00 C ATOM 989 CG2 VAL A 62 5.670 -5.497 -4.394 1.00 0.00 C ATOM 0 H VAL A 62 8.332 -6.478 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 62 6.966 -8.620 -4.994 1.00 0.00 H new ATOM 0 HB VAL A 62 5.285 -6.998 -5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.717 -7.354 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.672 -8.812 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.083 -7.803 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.653 -5.104 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.073 -5.427 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.293 -4.916 -5.074 1.00 0.00 H new ATOM 999 N HIS A 63 8.200 -7.855 -6.938 1.00 0.00 N ATOM 1000 CA HIS A 63 9.022 -7.472 -8.074 1.00 0.00 C ATOM 1001 C HIS A 63 8.627 -6.071 -8.544 1.00 0.00 C ATOM 1002 O HIS A 63 9.144 -5.074 -8.042 1.00 0.00 O ATOM 1003 CB HIS A 63 8.933 -8.518 -9.186 1.00 0.00 C ATOM 1004 CG HIS A 63 7.553 -9.102 -9.371 1.00 0.00 C ATOM 1005 ND1 HIS A 63 6.742 -8.784 -10.446 1.00 0.00 N ATOM 1006 CD2 HIS A 63 6.850 -9.988 -8.608 1.00 0.00 C ATOM 1007 CE1 HIS A 63 5.605 -9.453 -10.325 1.00 0.00 C ATOM 1008 NE2 HIS A 63 5.674 -10.198 -9.184 1.00 0.00 N ATOM 0 H HIS A 63 7.847 -8.811 -6.970 1.00 0.00 H new ATOM 0 HA HIS A 63 10.069 -7.435 -7.774 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.253 -8.064 -10.124 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.632 -9.326 -8.968 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.193 -10.442 -7.690 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.770 -9.415 -11.009 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.942 -10.815 -8.832 1.00 0.00 H new ATOM 1016 N GLN A 64 7.712 -6.039 -9.502 1.00 0.00 N ATOM 1017 CA GLN A 64 7.241 -4.777 -10.046 1.00 0.00 C ATOM 1018 C GLN A 64 5.999 -5.002 -10.911 1.00 0.00 C ATOM 1019 O GLN A 64 5.650 -6.141 -11.218 1.00 0.00 O ATOM 1020 CB GLN A 64 8.344 -4.078 -10.843 1.00 0.00 C ATOM 1021 CG GLN A 64 8.805 -4.943 -12.018 1.00 0.00 C ATOM 1022 CD GLN A 64 9.341 -4.077 -13.160 1.00 0.00 C ATOM 1023 OE1 GLN A 64 8.615 -3.653 -14.044 1.00 0.00 O ATOM 1024 NE2 GLN A 64 10.648 -3.840 -13.092 1.00 0.00 N ATOM 0 H GLN A 64 7.284 -6.868 -9.915 1.00 0.00 H new ATOM 0 HA GLN A 64 6.969 -4.125 -9.216 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.978 -3.120 -11.213 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.190 -3.865 -10.190 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.581 -5.632 -11.684 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.973 -5.549 -12.376 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.197 -4.226 -12.324 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.101 -3.272 -13.808 1.00 0.00 H new ATOM 1033 N GLY A 65 5.366 -3.898 -11.279 1.00 0.00 N ATOM 1034 CA GLY A 65 4.170 -3.961 -12.102 1.00 0.00 C ATOM 1035 C GLY A 65 2.922 -4.163 -11.241 1.00 0.00 C ATOM 1036 O GLY A 65 1.900 -3.513 -11.460 1.00 0.00 O ATOM 0 H GLY A 65 5.658 -2.955 -11.023 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.073 -3.042 -12.679 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.259 -4.779 -12.817 1.00 0.00 H new ATOM 1040 N ARG A 66 3.045 -5.066 -10.280 1.00 0.00 N ATOM 1041 CA ARG A 66 1.939 -5.362 -9.385 1.00 0.00 C ATOM 1042 C ARG A 66 1.426 -4.077 -8.732 1.00 0.00 C ATOM 1043 O ARG A 66 0.301 -4.035 -8.236 1.00 0.00 O ATOM 1044 CB ARG A 66 2.363 -6.347 -8.293 1.00 0.00 C ATOM 1045 CG ARG A 66 1.808 -7.746 -8.571 1.00 0.00 C ATOM 1046 CD ARG A 66 2.699 -8.502 -9.559 1.00 0.00 C ATOM 1047 NE ARG A 66 1.873 -9.390 -10.407 1.00 0.00 N ATOM 1048 CZ ARG A 66 1.299 -10.521 -9.974 1.00 0.00 C ATOM 1049 NH1 ARG A 66 1.458 -10.909 -8.701 1.00 0.00 N ATOM 1050 NH2 ARG A 66 0.567 -11.265 -10.814 1.00 0.00 N ATOM 0 H ARG A 66 3.894 -5.603 -10.101 1.00 0.00 H new ATOM 0 HA ARG A 66 1.144 -5.814 -9.978 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.451 -6.388 -8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.007 -5.997 -7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.737 -8.305 -7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.798 -7.667 -8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.246 -7.795 -10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.441 -9.089 -9.017 1.00 0.00 H new ATOM 0 HE ARG A 66 1.732 -9.125 -11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.016 -10.343 -8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.021 -11.770 -8.372 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.447 -10.971 -11.783 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.130 -12.126 -10.484 1.00 0.00 H new ATOM 1064 N VAL A 67 2.275 -3.061 -8.754 1.00 0.00 N ATOM 1065 CA VAL A 67 1.922 -1.778 -8.170 1.00 0.00 C ATOM 1066 C VAL A 67 1.640 -0.773 -9.290 1.00 0.00 C ATOM 1067 O VAL A 67 2.283 -0.810 -10.338 1.00 0.00 O ATOM 1068 CB VAL A 67 3.024 -1.315 -7.215 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.726 -2.511 -6.568 1.00 0.00 C ATOM 1070 CG2 VAL A 67 4.029 -0.413 -7.934 1.00 0.00 C ATOM 0 H VAL A 67 3.207 -3.100 -9.167 1.00 0.00 H new ATOM 0 HA VAL A 67 1.013 -1.867 -7.576 1.00 0.00 H new ATOM 0 HB VAL A 67 2.557 -0.731 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.505 -2.155 -5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.000 -3.098 -6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.174 -3.133 -7.343 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.802 -0.098 -7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.487 -0.962 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.515 0.465 -8.326 1.00 0.00 H new ATOM 1080 N PHE A 68 0.679 0.101 -9.029 1.00 0.00 N ATOM 1081 CA PHE A 68 0.305 1.113 -10.002 1.00 0.00 C ATOM 1082 C PHE A 68 0.655 2.514 -9.496 1.00 0.00 C ATOM 1083 O PHE A 68 0.706 2.748 -8.290 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.210 1.015 -10.189 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.644 0.769 -11.635 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.439 -0.447 -12.209 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.234 1.766 -12.348 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -1.842 -0.676 -13.551 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.636 1.537 -13.690 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.432 0.321 -14.264 1.00 0.00 C ATOM 0 H PHE A 68 0.148 0.129 -8.158 1.00 0.00 H new ATOM 0 HA PHE A 68 0.842 0.948 -10.936 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.591 0.208 -9.564 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.670 1.937 -9.834 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.970 -1.239 -11.644 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.397 2.732 -11.893 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.680 -1.642 -14.006 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.104 2.329 -14.256 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.738 0.147 -15.285 1.00 0.00 H new ATOM 1100 N PRO A 69 0.892 3.434 -10.470 1.00 0.00 N ATOM 1101 CA PRO A 69 1.236 4.806 -10.136 1.00 0.00 C ATOM 1102 C PRO A 69 0.005 5.578 -9.659 1.00 0.00 C ATOM 1103 O PRO A 69 -1.028 5.583 -10.327 1.00 0.00 O ATOM 1104 CB PRO A 69 1.841 5.380 -11.407 1.00 0.00 C ATOM 1105 CG PRO A 69 1.392 4.464 -12.534 1.00 0.00 C ATOM 1106 CD PRO A 69 0.840 3.193 -11.909 1.00 0.00 C ATOM 0 HA PRO A 69 1.942 4.874 -9.309 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.500 6.402 -11.575 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.928 5.414 -11.341 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.631 4.952 -13.142 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.228 4.233 -13.194 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.180 2.999 -12.241 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.436 2.324 -12.187 1.00 0.00 H new ATOM 1114 N TYR A 70 0.155 6.214 -8.506 1.00 0.00 N ATOM 1115 CA TYR A 70 -0.932 6.988 -7.931 1.00 0.00 C ATOM 1116 C TYR A 70 -0.833 8.459 -8.340 1.00 0.00 C ATOM 1117 O TYR A 70 0.223 9.076 -8.204 1.00 0.00 O ATOM 1118 CB TYR A 70 -0.769 6.881 -6.414 1.00 0.00 C ATOM 1119 CG TYR A 70 -1.720 7.781 -5.621 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -1.552 9.150 -5.643 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -2.744 7.222 -4.884 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -2.447 9.997 -4.897 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -3.639 8.069 -4.138 1.00 0.00 C ATOM 1124 CZ TYR A 70 -3.446 9.414 -4.181 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.291 10.214 -3.476 1.00 0.00 O ATOM 0 H TYR A 70 1.013 6.209 -7.955 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.895 6.612 -8.276 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.930 5.846 -6.114 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.258 7.133 -6.150 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.750 9.587 -6.219 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.874 6.150 -4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.328 11.070 -4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.445 7.645 -3.558 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.955 9.661 -3.014 1.00 0.00 H new ATOM 1135 N VAL A 71 -1.947 8.980 -8.833 1.00 0.00 N ATOM 1136 CA VAL A 71 -1.999 10.367 -9.263 1.00 0.00 C ATOM 1137 C VAL A 71 -2.748 11.193 -8.215 1.00 0.00 C ATOM 1138 O VAL A 71 -3.455 10.641 -7.374 1.00 0.00 O ATOM 1139 CB VAL A 71 -2.623 10.460 -10.656 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -2.174 9.292 -11.538 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -4.149 10.526 -10.570 1.00 0.00 C ATOM 0 H VAL A 71 -2.821 8.466 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.994 10.780 -9.345 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.273 11.383 -11.118 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.632 9.383 -12.523 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.089 9.309 -11.640 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.481 8.352 -11.080 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.568 10.592 -11.574 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.525 9.629 -10.078 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.443 11.405 -9.996 1.00 0.00 H new ATOM 1151 N GLU A 72 -2.568 12.503 -8.302 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.219 13.410 -7.372 1.00 0.00 C ATOM 1153 C GLU A 72 -4.289 14.233 -8.094 1.00 0.00 C ATOM 1154 O GLU A 72 -5.462 14.192 -7.725 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.197 14.320 -6.688 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.657 14.701 -5.280 1.00 0.00 C ATOM 1157 CD GLU A 72 -2.383 16.179 -4.995 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -1.225 16.595 -5.215 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -3.338 16.860 -4.563 1.00 0.00 O ATOM 0 H GLU A 72 -1.981 12.958 -9.002 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.705 12.817 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.233 13.814 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.052 15.221 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.723 14.498 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.141 14.083 -4.545 1.00 0.00 H new ATOM 1367 N THR A 87 -11.259 -0.051 7.496 1.00 0.00 N ATOM 1368 CA THR A 87 -9.819 0.114 7.394 1.00 0.00 C ATOM 1369 C THR A 87 -9.460 0.882 6.120 1.00 0.00 C ATOM 1370 O THR A 87 -8.576 1.738 6.135 1.00 0.00 O ATOM 1371 CB THR A 87 -9.177 -1.272 7.469 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.235 -1.607 8.853 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.680 -1.242 7.155 1.00 0.00 C ATOM 0 HA THR A 87 -9.430 0.712 8.218 1.00 0.00 H new ATOM 0 HB THR A 87 -9.680 -1.943 6.773 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.041 -1.216 9.251 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.274 -2.251 7.222 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.527 -0.856 6.147 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.171 -0.597 7.872 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.163 0.549 5.048 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.929 1.196 3.768 1.00 0.00 C ATOM 1383 C PHE A 88 -9.693 2.697 3.948 1.00 0.00 C ATOM 1384 O PHE A 88 -8.660 3.220 3.533 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.188 0.987 2.925 1.00 0.00 C ATOM 1386 CG PHE A 88 -11.004 1.312 1.441 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -10.068 0.649 0.711 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.777 2.264 0.852 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.898 0.951 -0.666 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.606 2.566 -0.525 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.670 1.903 -1.255 1.00 0.00 C ATOM 0 H PHE A 88 -10.895 -0.161 5.039 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.045 0.771 3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.510 -0.050 3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.989 1.608 3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.454 -0.107 1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.521 2.790 1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.155 0.424 -1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.219 3.322 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.540 2.132 -2.302 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.668 3.347 4.567 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.579 4.777 4.807 1.00 0.00 C ATOM 1403 C LYS A 89 -9.196 5.110 5.371 1.00 0.00 C ATOM 1404 O LYS A 89 -8.445 5.877 4.770 1.00 0.00 O ATOM 1405 CB LYS A 89 -11.734 5.244 5.695 1.00 0.00 C ATOM 1406 CG LYS A 89 -12.569 6.315 4.990 1.00 0.00 C ATOM 1407 CD LYS A 89 -13.773 6.720 5.842 1.00 0.00 C ATOM 1408 CE LYS A 89 -13.860 8.241 5.981 1.00 0.00 C ATOM 1409 NZ LYS A 89 -14.553 8.609 7.236 1.00 0.00 N ATOM 0 H LYS A 89 -11.523 2.909 4.909 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.683 5.328 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.367 4.394 5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.340 5.642 6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.950 7.190 4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.911 5.938 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.688 6.340 5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.694 6.265 6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.858 8.671 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.394 8.660 5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.603 9.645 7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.516 8.215 7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.028 8.226 8.048 1.00 0.00 H new ATOM 1423 N LYS A 90 -8.902 4.518 6.519 1.00 0.00 N ATOM 1424 CA LYS A 90 -7.623 4.743 7.171 1.00 0.00 C ATOM 1425 C LYS A 90 -6.516 4.773 6.115 1.00 0.00 C ATOM 1426 O LYS A 90 -5.649 5.645 6.145 1.00 0.00 O ATOM 1427 CB LYS A 90 -7.393 3.706 8.272 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.211 4.382 9.633 1.00 0.00 C ATOM 1429 CD LYS A 90 -8.537 4.451 10.392 1.00 0.00 C ATOM 1430 CE LYS A 90 -9.421 5.577 9.852 1.00 0.00 C ATOM 1431 NZ LYS A 90 -9.024 6.875 10.442 1.00 0.00 N ATOM 0 H LYS A 90 -9.527 3.883 7.015 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.615 5.712 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.239 3.020 8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.511 3.110 8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.479 3.830 10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.815 5.388 9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.060 3.499 10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.345 4.612 11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.338 5.624 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.466 5.370 10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.634 7.629 10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.126 6.832 11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.033 7.078 10.200 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.582 3.811 5.206 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.596 3.717 4.143 1.00 0.00 C ATOM 1447 C ALA A 91 -5.750 4.915 3.203 1.00 0.00 C ATOM 1448 O ALA A 91 -4.813 5.691 3.022 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.755 2.381 3.416 1.00 0.00 C ATOM 0 H ALA A 91 -7.303 3.090 5.184 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.586 3.747 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.015 2.310 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.607 1.563 4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.756 2.316 2.989 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.939 5.027 2.630 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.228 6.117 1.713 1.00 0.00 C ATOM 1457 C LEU A 92 -6.599 7.406 2.246 1.00 0.00 C ATOM 1458 O LEU A 92 -5.819 8.054 1.550 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.734 6.224 1.465 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.407 4.981 0.880 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.930 5.079 0.989 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.950 4.736 -0.560 1.00 0.00 C ATOM 0 H LEU A 92 -7.714 4.381 2.783 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.781 5.923 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.221 6.466 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.913 7.061 0.790 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.097 4.117 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.383 4.183 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.215 5.169 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.278 5.955 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.443 3.847 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.211 5.597 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.870 4.590 -0.579 1.00 0.00 H new ATOM 1474 N GLU A 93 -6.962 7.739 3.476 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.444 8.939 4.110 1.00 0.00 C ATOM 1476 C GLU A 93 -4.918 8.872 4.206 1.00 0.00 C ATOM 1477 O GLU A 93 -4.218 9.655 3.566 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.071 9.145 5.490 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.561 9.472 5.372 1.00 0.00 C ATOM 1480 CD GLU A 93 -8.990 10.471 6.449 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -8.168 11.359 6.759 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -10.131 10.323 6.938 1.00 0.00 O ATOM 0 H GLU A 93 -7.609 7.198 4.050 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.713 9.797 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.939 8.245 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.558 9.954 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.769 9.884 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.146 8.557 5.466 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.449 7.929 5.009 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.019 7.750 5.197 1.00 0.00 C ATOM 1491 C GLU A 94 -2.283 7.921 3.866 1.00 0.00 C ATOM 1492 O GLU A 94 -1.400 8.768 3.746 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.715 6.386 5.820 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.577 6.495 7.340 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.231 5.940 7.810 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -0.265 6.054 7.024 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -1.198 5.416 8.944 1.00 0.00 O ATOM 0 H GLU A 94 -5.033 7.281 5.537 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.664 8.516 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.511 5.684 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.794 5.986 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.670 7.538 7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.388 5.949 7.822 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.675 7.104 2.900 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.064 7.155 1.583 1.00 0.00 C ATOM 1506 C ALA A 95 -1.923 8.614 1.147 1.00 0.00 C ATOM 1507 O ALA A 95 -0.848 9.038 0.725 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.900 6.331 0.601 1.00 0.00 C ATOM 0 H ALA A 95 -3.408 6.403 3.003 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.065 6.720 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.442 6.369 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.945 5.296 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.909 6.740 0.549 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.023 9.343 1.265 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.035 10.746 0.888 1.00 0.00 C ATOM 1516 C ALA A 96 -1.953 11.490 1.675 1.00 0.00 C ATOM 1517 O ALA A 96 -1.046 12.076 1.087 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.431 11.327 1.125 1.00 0.00 C ATOM 0 H ALA A 96 -3.912 8.988 1.616 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.810 10.860 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.440 12.380 0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.159 10.783 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.690 11.233 2.180 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.086 11.442 2.992 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.131 12.104 3.865 1.00 0.00 C ATOM 1526 C LYS A 97 0.279 11.929 3.298 1.00 0.00 C ATOM 1527 O LYS A 97 0.908 12.899 2.879 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.283 11.603 5.303 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.344 12.772 6.287 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.674 12.783 7.043 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.626 13.754 8.225 1.00 0.00 C ATOM 1532 NZ LYS A 97 -2.784 13.024 9.502 1.00 0.00 N ATOM 0 H LYS A 97 -2.840 10.955 3.476 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.328 13.175 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.189 11.003 5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.445 10.953 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.519 12.699 6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.220 13.712 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.479 13.069 6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.901 11.779 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.679 14.293 8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.416 14.498 8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.749 13.698 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.699 12.529 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.015 12.331 9.603 1.00 0.00 H new ATOM 1546 N ARG A 98 0.733 10.684 3.301 1.00 0.00 N ATOM 1547 CA ARG A 98 2.057 10.370 2.792 1.00 0.00 C ATOM 1548 C ARG A 98 2.352 11.192 1.536 1.00 0.00 C ATOM 1549 O ARG A 98 3.275 12.005 1.525 1.00 0.00 O ATOM 1550 CB ARG A 98 2.180 8.881 2.459 1.00 0.00 C ATOM 1551 CG ARG A 98 2.388 8.051 3.728 1.00 0.00 C ATOM 1552 CD ARG A 98 3.788 8.271 4.303 1.00 0.00 C ATOM 1553 NE ARG A 98 4.159 7.136 5.178 1.00 0.00 N ATOM 1554 CZ ARG A 98 5.170 7.165 6.057 1.00 0.00 C ATOM 1555 NH1 ARG A 98 5.917 8.270 6.184 1.00 0.00 N ATOM 1556 NH2 ARG A 98 5.435 6.088 6.810 1.00 0.00 N ATOM 0 H ARG A 98 0.208 9.881 3.648 1.00 0.00 H new ATOM 0 HA ARG A 98 2.779 10.618 3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.281 8.544 1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.016 8.725 1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.639 8.323 4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.245 6.994 3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.511 8.369 3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.816 9.202 4.869 1.00 0.00 H new ATOM 0 HE ARG A 98 3.611 6.279 5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.716 9.090 5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.686 8.291 6.853 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.867 5.246 6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.205 6.110 7.479 1.00 0.00 H new ATOM 1570 N PHE A 99 1.551 10.952 0.509 1.00 0.00 N ATOM 1571 CA PHE A 99 1.715 11.661 -0.749 1.00 0.00 C ATOM 1572 C PHE A 99 1.821 13.170 -0.519 1.00 0.00 C ATOM 1573 O PHE A 99 2.519 13.866 -1.255 1.00 0.00 O ATOM 1574 CB PHE A 99 0.470 11.372 -1.590 1.00 0.00 C ATOM 1575 CG PHE A 99 0.544 11.916 -3.018 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.098 13.172 -3.291 1.00 0.00 C ATOM 1577 CD2 PHE A 99 1.054 11.145 -4.015 1.00 0.00 C ATOM 1578 CE1 PHE A 99 0.167 13.677 -4.616 1.00 0.00 C ATOM 1579 CE2 PHE A 99 1.123 11.650 -5.340 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.678 12.906 -5.613 1.00 0.00 C ATOM 0 H PHE A 99 0.787 10.277 0.522 1.00 0.00 H new ATOM 0 HA PHE A 99 2.628 11.332 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.314 10.294 -1.630 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.400 11.802 -1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.308 13.785 -2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.407 10.147 -3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.187 14.674 -4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.529 11.037 -6.131 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.730 13.291 -6.621 1.00 0.00 H new ATOM 1590 N GLN A 100 1.119 13.631 0.506 1.00 0.00 N ATOM 1591 CA GLN A 100 1.126 15.044 0.842 1.00 0.00 C ATOM 1592 C GLN A 100 2.400 15.400 1.611 1.00 0.00 C ATOM 1593 O GLN A 100 2.890 16.525 1.520 1.00 0.00 O ATOM 1594 CB GLN A 100 -0.121 15.424 1.642 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.380 14.823 1.013 1.00 0.00 C ATOM 1596 CD GLN A 100 -2.350 15.920 0.573 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.986 17.070 0.389 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -3.603 15.503 0.414 1.00 0.00 N ATOM 0 H GLN A 100 0.542 13.051 1.115 1.00 0.00 H new ATOM 0 HA GLN A 100 1.111 15.618 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.020 15.073 2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.214 16.509 1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.105 14.210 0.155 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.871 14.165 1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.841 14.526 0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.326 16.160 0.121 1.00 0.00 H new ATOM 1607 N GLU A 101 2.900 14.421 2.351 1.00 0.00 N ATOM 1608 CA GLU A 101 4.108 14.617 3.135 1.00 0.00 C ATOM 1609 C GLU A 101 5.335 14.646 2.222 1.00 0.00 C ATOM 1610 O GLU A 101 6.115 15.596 2.254 1.00 0.00 O ATOM 1611 CB GLU A 101 4.247 13.535 4.207 1.00 0.00 C ATOM 1612 CG GLU A 101 2.901 13.252 4.879 1.00 0.00 C ATOM 1613 CD GLU A 101 3.086 12.931 6.363 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.686 11.871 6.644 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.624 13.753 7.184 1.00 0.00 O ATOM 0 H GLU A 101 2.491 13.490 2.424 1.00 0.00 H new ATOM 0 HA GLU A 101 4.036 15.578 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.632 12.620 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.972 13.852 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.247 14.117 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.410 12.416 4.381 1.00 0.00 H new ATOM 1622 N LEU A 102 5.467 13.593 1.429 1.00 0.00 N ATOM 1623 CA LEU A 102 6.586 13.485 0.508 1.00 0.00 C ATOM 1624 C LEU A 102 6.812 14.836 -0.173 1.00 0.00 C ATOM 1625 O LEU A 102 7.837 15.481 0.044 1.00 0.00 O ATOM 1626 CB LEU A 102 6.365 12.331 -0.472 1.00 0.00 C ATOM 1627 CG LEU A 102 7.058 11.012 -0.123 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.696 10.560 1.293 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.745 9.937 -1.165 1.00 0.00 C ATOM 0 H LEU A 102 4.818 12.807 1.405 1.00 0.00 H new ATOM 0 HA LEU A 102 7.501 13.242 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.294 12.146 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.706 12.648 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 102 8.135 11.176 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.202 9.620 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.010 11.320 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.618 10.418 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.249 9.010 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.669 9.768 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 102 7.093 10.267 -2.144 1.00 0.00 H new ATOM 1641 N LYS A 103 5.839 15.224 -0.984 1.00 0.00 N ATOM 1642 CA LYS A 103 5.919 16.487 -1.698 1.00 0.00 C ATOM 1643 C LYS A 103 6.231 17.610 -0.708 1.00 0.00 C ATOM 1644 O LYS A 103 7.136 18.411 -0.937 1.00 0.00 O ATOM 1645 CB LYS A 103 4.645 16.722 -2.514 1.00 0.00 C ATOM 1646 CG LYS A 103 3.412 16.748 -1.609 1.00 0.00 C ATOM 1647 CD LYS A 103 2.129 16.582 -2.426 1.00 0.00 C ATOM 1648 CE LYS A 103 1.196 17.779 -2.232 1.00 0.00 C ATOM 1649 NZ LYS A 103 1.761 18.985 -2.876 1.00 0.00 N ATOM 0 H LYS A 103 4.991 14.686 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 103 6.734 16.465 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.724 17.665 -3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.536 15.935 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.482 15.950 -0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.379 17.689 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.377 16.477 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.619 15.667 -2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.217 17.557 -2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.047 17.963 -1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.116 19.788 -2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.685 19.204 -2.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.880 18.811 -3.894 1.00 0.00 H new