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= -0.734 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0237 K(o=-0.024,f=-1.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 21:sc= -4.13! USER MOD Single : A 31 ASN : amide:sc= -7.36! C(o=-7.4!,f=-12!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -7.64! C(o=-7.6!,f=-12!) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.907 F(o=-1.6,f=-0.91) USER MOD Single : A 56 SER OG : rot -145:sc= 1.04 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.46 F(o=-2.5,f=-1.5) 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 HE2:sc= -8.31! C(o=-8.3!,f=-15!) 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 36:sc= 0.0199 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 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00175) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.978 4.706 -4.479 1.00 0.00 N ATOM 125 CA TYR A 11 11.585 4.678 -3.080 1.00 0.00 C ATOM 126 C TYR A 11 10.726 5.894 -2.728 1.00 0.00 C ATOM 127 O TYR A 11 10.740 6.897 -3.441 1.00 0.00 O ATOM 128 CB TYR A 11 12.885 4.738 -2.276 1.00 0.00 C ATOM 129 CG TYR A 11 13.662 3.419 -2.250 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.991 2.227 -2.067 1.00 0.00 C ATOM 131 CD2 TYR A 11 15.033 3.423 -2.411 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.722 0.986 -2.043 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.763 2.182 -2.387 1.00 0.00 C ATOM 134 CZ TYR A 11 15.072 1.025 -2.204 1.00 0.00 C ATOM 135 OH TYR A 11 15.762 -0.146 -2.181 1.00 0.00 O ATOM 0 HA TYR A 11 11.000 3.784 -2.863 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.524 5.516 -2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.654 5.032 -1.252 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.918 2.225 -1.942 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.558 4.356 -2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.210 0.046 -1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.836 2.170 -2.512 1.00 0.00 H new ATOM 0 HH TYR A 11 16.717 0.034 -2.310 1.00 0.00 H new ATOM 145 N LYS A 12 9.998 5.766 -1.629 1.00 0.00 N ATOM 146 CA LYS A 12 9.134 6.842 -1.174 1.00 0.00 C ATOM 147 C LYS A 12 8.266 7.321 -2.339 1.00 0.00 C ATOM 148 O LYS A 12 8.440 8.435 -2.831 1.00 0.00 O ATOM 149 CB LYS A 12 9.960 7.954 -0.524 1.00 0.00 C ATOM 150 CG LYS A 12 10.369 7.573 0.900 1.00 0.00 C ATOM 151 CD LYS A 12 9.999 8.679 1.891 1.00 0.00 C ATOM 152 CE LYS A 12 10.810 9.948 1.624 1.00 0.00 C ATOM 153 NZ LYS A 12 12.056 9.945 2.422 1.00 0.00 N ATOM 0 H LYS A 12 9.989 4.933 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 12 8.457 6.485 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.850 8.148 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.382 8.878 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.878 6.643 1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.443 7.391 0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.935 8.900 1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.180 8.335 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.051 10.016 0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.214 10.826 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.594 10.814 2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.820 9.902 3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.631 9.117 2.165 1.00 0.00 H new ATOM 167 N GLN A 13 7.349 6.456 -2.747 1.00 0.00 N ATOM 168 CA GLN A 13 6.454 6.777 -3.845 1.00 0.00 C ATOM 169 C GLN A 13 5.090 6.117 -3.628 1.00 0.00 C ATOM 170 O GLN A 13 5.010 4.912 -3.394 1.00 0.00 O ATOM 171 CB GLN A 13 7.058 6.357 -5.186 1.00 0.00 C ATOM 172 CG GLN A 13 6.041 6.512 -6.319 1.00 0.00 C ATOM 173 CD GLN A 13 6.738 6.550 -7.680 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.953 6.596 -7.784 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.904 6.528 -8.716 1.00 0.00 N ATOM 0 H GLN A 13 7.207 5.533 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 13 6.314 7.858 -3.869 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.939 6.963 -5.398 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.390 5.320 -5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.333 5.684 -6.292 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.467 7.427 -6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.897 6.489 -8.559 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.272 6.550 -9.667 1.00 0.00 H new ATOM 184 N ILE A 14 4.052 6.935 -3.714 1.00 0.00 N ATOM 185 CA ILE A 14 2.696 6.446 -3.531 1.00 0.00 C ATOM 186 C ILE A 14 2.252 5.702 -4.791 1.00 0.00 C ATOM 187 O ILE A 14 2.326 6.242 -5.894 1.00 0.00 O ATOM 188 CB ILE A 14 1.763 7.591 -3.132 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.375 8.432 -2.010 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.375 7.064 -2.760 1.00 0.00 C ATOM 191 CD1 ILE A 14 2.273 7.710 -0.665 1.00 0.00 C ATOM 0 H ILE A 14 4.122 7.934 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 14 2.657 5.732 -2.709 1.00 0.00 H new ATOM 0 HB ILE A 14 1.639 8.246 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.421 8.641 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.864 9.393 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.268 7.898 -2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.057 6.543 -3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.461 6.375 -1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.715 8.330 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.225 7.524 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.806 6.761 -0.720 1.00 0.00 H new ATOM 203 N VAL A 15 1.800 4.473 -4.586 1.00 0.00 N ATOM 204 CA VAL A 15 1.344 3.649 -5.692 1.00 0.00 C ATOM 205 C VAL A 15 0.172 2.782 -5.228 1.00 0.00 C ATOM 206 O VAL A 15 -0.036 2.605 -4.028 1.00 0.00 O ATOM 207 CB VAL A 15 2.509 2.829 -6.249 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.392 3.682 -7.163 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.331 2.206 -5.119 1.00 0.00 C ATOM 0 H VAL A 15 1.740 4.028 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 15 0.983 4.274 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 15 2.092 2.018 -6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.213 3.075 -7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.798 4.056 -7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.795 4.523 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.153 1.628 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.732 2.995 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.695 1.550 -4.525 1.00 0.00 H new ATOM 219 N TRP A 16 -0.563 2.266 -6.202 1.00 0.00 N ATOM 220 CA TRP A 16 -1.709 1.422 -5.907 1.00 0.00 C ATOM 221 C TRP A 16 -1.236 -0.033 -5.904 1.00 0.00 C ATOM 222 O TRP A 16 -0.759 -0.537 -6.920 1.00 0.00 O ATOM 223 CB TRP A 16 -2.847 1.679 -6.897 1.00 0.00 C ATOM 224 CG TRP A 16 -3.622 2.971 -6.633 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.394 4.189 -7.145 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.766 3.127 -5.768 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.303 5.114 -6.674 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.165 4.448 -5.810 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.442 2.183 -4.975 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.252 4.944 -5.082 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.527 2.695 -4.254 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.941 4.022 -4.285 1.00 0.00 C ATOM 0 H TRP A 16 -0.388 2.416 -7.196 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.119 1.656 -4.925 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.436 1.714 -7.906 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.540 0.838 -6.864 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.599 4.417 -7.839 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.336 6.104 -6.915 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.147 1.145 -4.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.544 5.983 -5.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.082 2.011 -3.629 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.790 4.340 -3.697 1.00 0.00 H new ATOM 243 N VAL A 17 -1.386 -0.667 -4.750 1.00 0.00 N ATOM 244 CA VAL A 17 -0.980 -2.055 -4.601 1.00 0.00 C ATOM 245 C VAL A 17 -2.080 -2.965 -5.151 1.00 0.00 C ATOM 246 O VAL A 17 -3.265 -2.705 -4.948 1.00 0.00 O ATOM 247 CB VAL A 17 -0.638 -2.346 -3.139 1.00 0.00 C ATOM 248 CG1 VAL A 17 -1.455 -3.526 -2.609 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.862 -2.595 -2.965 1.00 0.00 C ATOM 0 H VAL A 17 -1.783 -0.246 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.076 -2.253 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.901 -1.466 -2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.192 -3.712 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.518 -3.294 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.238 -4.414 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.078 -2.799 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.161 -3.450 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.417 -1.713 -3.284 1.00 0.00 H new ATOM 259 N LYS A 18 -1.648 -4.014 -5.836 1.00 0.00 N ATOM 260 CA LYS A 18 -2.582 -4.965 -6.416 1.00 0.00 C ATOM 261 C LYS A 18 -2.767 -6.142 -5.456 1.00 0.00 C ATOM 262 O LYS A 18 -1.791 -6.741 -5.008 1.00 0.00 O ATOM 263 CB LYS A 18 -2.125 -5.378 -7.816 1.00 0.00 C ATOM 264 CG LYS A 18 -2.984 -4.713 -8.892 1.00 0.00 C ATOM 265 CD LYS A 18 -2.556 -5.162 -10.291 1.00 0.00 C ATOM 266 CE LYS A 18 -3.416 -6.329 -10.780 1.00 0.00 C ATOM 267 NZ LYS A 18 -3.411 -6.392 -12.259 1.00 0.00 N ATOM 0 H LYS A 18 -0.664 -4.226 -6.002 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.561 -4.505 -6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.080 -5.101 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.184 -6.462 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.033 -4.963 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.899 -3.629 -8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.641 -4.327 -10.986 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.508 -5.460 -10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.037 -7.265 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.438 -6.212 -10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.999 -7.189 -12.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.793 -5.505 -12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.437 -6.525 -12.597 1.00 0.00 H new ATOM 366 N TRP A 24 -8.708 -2.670 -4.840 1.00 0.00 N ATOM 367 CA TRP A 24 -7.358 -2.138 -4.924 1.00 0.00 C ATOM 368 C TRP A 24 -7.005 -1.528 -3.566 1.00 0.00 C ATOM 369 O TRP A 24 -7.879 -1.024 -2.862 1.00 0.00 O ATOM 370 CB TRP A 24 -7.232 -1.142 -6.078 1.00 0.00 C ATOM 371 CG TRP A 24 -7.247 -1.789 -7.464 1.00 0.00 C ATOM 372 CD1 TRP A 24 -8.269 -2.402 -8.078 1.00 0.00 C ATOM 373 CD2 TRP A 24 -6.142 -1.864 -8.390 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.905 -2.864 -9.326 1.00 0.00 N ATOM 375 CE2 TRP A 24 -6.571 -2.527 -9.522 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.824 -1.388 -8.275 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -5.745 -2.773 -10.625 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -4.011 -1.642 -9.386 1.00 0.00 C ATOM 379 CH2 TRP A 24 -4.428 -2.308 -10.533 1.00 0.00 C ATOM 0 HA TRP A 24 -6.644 -2.931 -5.145 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.049 -0.424 -6.015 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -6.305 -0.581 -5.960 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -9.253 -2.519 -7.650 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -8.505 -3.362 -9.984 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.467 -0.867 -7.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.105 -3.294 -11.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.988 -1.296 -9.350 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.739 -2.466 -11.349 1.00 0.00 H new ATOM 390 N TRP A 25 -5.723 -1.593 -3.239 1.00 0.00 N ATOM 391 CA TRP A 25 -5.244 -1.054 -1.978 1.00 0.00 C ATOM 392 C TRP A 25 -4.015 -0.189 -2.270 1.00 0.00 C ATOM 393 O TRP A 25 -3.070 -0.645 -2.911 1.00 0.00 O ATOM 394 CB TRP A 25 -4.962 -2.173 -0.974 1.00 0.00 C ATOM 395 CG TRP A 25 -5.017 -1.726 0.488 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.054 -1.130 1.205 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.136 -1.864 1.389 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.469 -0.875 2.496 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.776 -1.336 2.611 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.411 -2.418 1.177 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.633 -1.308 3.718 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.256 -2.383 2.292 1.00 0.00 C ATOM 403 CH2 TRP A 25 -7.909 -1.854 3.530 1.00 0.00 C ATOM 0 H TRP A 25 -5.001 -2.011 -3.826 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.006 -0.430 -1.511 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.685 -2.974 -1.126 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -3.976 -2.591 -1.179 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.076 -0.881 0.821 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.919 -0.430 3.231 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.714 -2.837 0.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.327 -0.888 4.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.248 -2.796 2.183 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.620 -1.864 4.343 1.00 0.00 H new ATOM 414 N PRO A 26 -4.070 1.075 -1.772 1.00 0.00 N ATOM 415 CA PRO A 26 -2.974 2.007 -1.972 1.00 0.00 C ATOM 416 C PRO A 26 -1.790 1.664 -1.065 1.00 0.00 C ATOM 417 O PRO A 26 -1.974 1.117 0.021 1.00 0.00 O ATOM 418 CB PRO A 26 -3.565 3.377 -1.685 1.00 0.00 C ATOM 419 CG PRO A 26 -4.834 3.125 -0.888 1.00 0.00 C ATOM 420 CD PRO A 26 -5.174 1.649 -1.007 1.00 0.00 C ATOM 0 HA PRO A 26 -2.567 1.968 -2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.865 3.994 -1.121 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.784 3.909 -2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.690 3.400 0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.652 3.737 -1.269 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.261 1.182 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.127 1.502 -1.515 1.00 0.00 H new ATOM 428 N ALA A 27 -0.602 2.001 -1.545 1.00 0.00 N ATOM 429 CA ALA A 27 0.612 1.735 -0.791 1.00 0.00 C ATOM 430 C ALA A 27 1.741 2.619 -1.324 1.00 0.00 C ATOM 431 O ALA A 27 1.629 3.190 -2.408 1.00 0.00 O ATOM 432 CB ALA A 27 0.949 0.245 -0.873 1.00 0.00 C ATOM 0 H ALA A 27 -0.454 2.456 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 27 0.471 1.979 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.859 0.046 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.128 -0.337 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.100 -0.037 -1.915 1.00 0.00 H new ATOM 438 N GLU A 28 2.805 2.703 -0.538 1.00 0.00 N ATOM 439 CA GLU A 28 3.954 3.507 -0.917 1.00 0.00 C ATOM 440 C GLU A 28 5.233 2.671 -0.848 1.00 0.00 C ATOM 441 O GLU A 28 5.427 1.903 0.094 1.00 0.00 O ATOM 442 CB GLU A 28 4.065 4.754 -0.038 1.00 0.00 C ATOM 443 CG GLU A 28 5.491 5.310 -0.052 1.00 0.00 C ATOM 444 CD GLU A 28 6.256 4.889 1.204 1.00 0.00 C ATOM 445 OE1 GLU A 28 6.144 3.698 1.565 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.936 5.769 1.775 1.00 0.00 O ATOM 0 H GLU A 28 2.895 2.227 0.360 1.00 0.00 H new ATOM 0 HA GLU A 28 3.816 3.840 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.370 5.516 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.776 4.510 0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.016 4.953 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.460 6.398 -0.116 1.00 0.00 H new ATOM 453 N ILE A 29 6.074 2.848 -1.857 1.00 0.00 N ATOM 454 CA ILE A 29 7.329 2.119 -1.922 1.00 0.00 C ATOM 455 C ILE A 29 8.266 2.627 -0.824 1.00 0.00 C ATOM 456 O ILE A 29 8.490 3.830 -0.702 1.00 0.00 O ATOM 457 CB ILE A 29 7.926 2.204 -3.328 1.00 0.00 C ATOM 458 CG1 ILE A 29 7.014 1.527 -4.353 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.345 1.633 -3.357 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.437 1.878 -5.780 1.00 0.00 C ATOM 0 H ILE A 29 5.910 3.486 -2.636 1.00 0.00 H new ATOM 0 HA ILE A 29 7.164 1.058 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 29 7.997 3.256 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.046 0.446 -4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.982 1.838 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.746 1.706 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.979 2.198 -2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.323 0.587 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.772 1.384 -6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.380 2.957 -5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.461 1.543 -5.949 1.00 0.00 H new ATOM 472 N CYS A 30 8.788 1.684 -0.053 1.00 0.00 N ATOM 473 CA CYS A 30 9.696 2.021 1.030 1.00 0.00 C ATOM 474 C CYS A 30 11.080 1.468 0.686 1.00 0.00 C ATOM 475 O CYS A 30 11.240 0.756 -0.304 1.00 0.00 O ATOM 476 CB CYS A 30 9.190 1.498 2.376 1.00 0.00 C ATOM 477 SG CYS A 30 8.797 -0.285 2.246 1.00 0.00 S ATOM 0 H CYS A 30 8.599 0.687 -0.157 1.00 0.00 H new ATOM 0 HA CYS A 30 9.755 3.104 1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.946 1.657 3.145 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.303 2.053 2.681 1.00 0.00 H new ATOM 0 HG CYS A 30 9.424 -0.794 1.227 1.00 0.00 H new ATOM 483 N ASN A 31 12.046 1.816 1.524 1.00 0.00 N ATOM 484 CA ASN A 31 13.412 1.363 1.321 1.00 0.00 C ATOM 485 C ASN A 31 13.733 0.259 2.330 1.00 0.00 C ATOM 486 O ASN A 31 13.088 0.159 3.373 1.00 0.00 O ATOM 487 CB ASN A 31 14.408 2.505 1.536 1.00 0.00 C ATOM 488 CG ASN A 31 13.969 3.764 0.787 1.00 0.00 C ATOM 489 OD1 ASN A 31 12.801 4.117 0.744 1.00 0.00 O ATOM 490 ND2 ASN A 31 14.966 4.420 0.200 1.00 0.00 N ATOM 0 H ASN A 31 11.910 2.406 2.345 1.00 0.00 H new ATOM 0 HA ASN A 31 13.498 0.997 0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.493 2.722 2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.396 2.200 1.193 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.776 5.273 -0.325 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.921 4.070 0.275 1.00 0.00 H new ATOM 497 N PRO A 32 14.757 -0.563 1.976 1.00 0.00 N ATOM 498 CA PRO A 32 15.172 -1.656 2.838 1.00 0.00 C ATOM 499 C PRO A 32 15.961 -1.136 4.042 1.00 0.00 C ATOM 500 O PRO A 32 16.153 -1.855 5.021 1.00 0.00 O ATOM 501 CB PRO A 32 15.989 -2.574 1.944 1.00 0.00 C ATOM 502 CG PRO A 32 16.391 -1.736 0.742 1.00 0.00 C ATOM 503 CD PRO A 32 15.543 -0.474 0.749 1.00 0.00 C ATOM 0 HA PRO A 32 14.328 -2.193 3.272 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.867 -2.950 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.405 -3.442 1.637 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.450 -1.484 0.789 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.237 -2.294 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.165 0.421 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.901 -0.424 -0.130 1.00 0.00 H new ATOM 511 N ARG A 33 16.396 0.110 3.929 1.00 0.00 N ATOM 512 CA ARG A 33 17.160 0.735 4.996 1.00 0.00 C ATOM 513 C ARG A 33 16.219 1.308 6.057 1.00 0.00 C ATOM 514 O ARG A 33 16.596 1.438 7.221 1.00 0.00 O ATOM 515 CB ARG A 33 18.048 1.857 4.453 1.00 0.00 C ATOM 516 CG ARG A 33 19.192 1.291 3.609 1.00 0.00 C ATOM 517 CD ARG A 33 20.362 0.856 4.493 1.00 0.00 C ATOM 518 NE ARG A 33 21.502 1.783 4.316 1.00 0.00 N ATOM 519 CZ ARG A 33 22.310 1.785 3.246 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.108 0.910 2.252 1.00 0.00 N ATOM 521 NH2 ARG A 33 23.319 2.663 3.171 1.00 0.00 N ATOM 0 H ARG A 33 16.234 0.704 3.116 1.00 0.00 H new ATOM 0 HA ARG A 33 17.794 -0.031 5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.449 2.540 3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.455 2.437 5.281 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.834 0.441 3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.530 2.044 2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.053 0.842 5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.665 -0.159 4.236 1.00 0.00 H new ATOM 0 HE ARG A 33 21.684 2.463 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.339 0.242 2.309 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.723 0.912 1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.472 3.330 3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.934 2.665 2.357 1.00 0.00 H new ATOM 535 N SER A 34 15.012 1.635 5.618 1.00 0.00 N ATOM 536 CA SER A 34 14.014 2.190 6.516 1.00 0.00 C ATOM 537 C SER A 34 13.347 1.069 7.316 1.00 0.00 C ATOM 538 O SER A 34 13.475 1.012 8.538 1.00 0.00 O ATOM 539 CB SER A 34 12.963 2.990 5.744 1.00 0.00 C ATOM 540 OG SER A 34 11.837 3.315 6.556 1.00 0.00 O ATOM 0 H SER A 34 14.703 1.526 4.652 1.00 0.00 H new ATOM 0 HA SER A 34 14.515 2.870 7.205 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.413 3.907 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.632 2.415 4.879 1.00 0.00 H new ATOM 0 HG SER A 34 11.190 3.827 6.028 1.00 0.00 H new ATOM 546 N VAL A 35 12.650 0.205 6.593 1.00 0.00 N ATOM 547 CA VAL A 35 11.963 -0.912 7.220 1.00 0.00 C ATOM 548 C VAL A 35 12.906 -1.593 8.213 1.00 0.00 C ATOM 549 O VAL A 35 14.125 -1.464 8.106 1.00 0.00 O ATOM 550 CB VAL A 35 11.431 -1.866 6.149 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.619 -1.111 5.095 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.572 -2.654 5.501 1.00 0.00 C ATOM 0 H VAL A 35 12.546 0.256 5.580 1.00 0.00 H new ATOM 0 HA VAL A 35 11.098 -0.561 7.783 1.00 0.00 H new ATOM 0 HB VAL A 35 10.766 -2.578 6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.253 -1.813 4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.773 -0.616 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.251 -0.365 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.167 -3.325 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.273 -1.962 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.090 -3.237 6.262 1.00 0.00 H new ATOM 562 N PRO A 36 12.291 -2.322 9.182 1.00 0.00 N ATOM 563 CA PRO A 36 13.062 -3.024 10.194 1.00 0.00 C ATOM 564 C PRO A 36 13.714 -4.281 9.613 1.00 0.00 C ATOM 565 O PRO A 36 13.849 -4.409 8.397 1.00 0.00 O ATOM 566 CB PRO A 36 12.070 -3.329 11.304 1.00 0.00 C ATOM 567 CG PRO A 36 10.691 -3.202 10.677 1.00 0.00 C ATOM 568 CD PRO A 36 10.850 -2.498 9.340 1.00 0.00 C ATOM 0 HA PRO A 36 13.894 -2.432 10.574 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.227 -4.331 11.703 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.187 -2.633 12.135 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.242 -4.186 10.539 1.00 0.00 H new ATOM 0 HG3 PRO A 36 10.026 -2.637 11.329 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.432 -3.093 8.527 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.331 -1.540 9.333 1.00 0.00 H new ATOM 576 N LEU A 37 14.100 -5.177 10.509 1.00 0.00 N ATOM 577 CA LEU A 37 14.734 -6.419 10.101 1.00 0.00 C ATOM 578 C LEU A 37 13.656 -7.457 9.784 1.00 0.00 C ATOM 579 O LEU A 37 13.670 -8.065 8.715 1.00 0.00 O ATOM 580 CB LEU A 37 15.740 -6.880 11.158 1.00 0.00 C ATOM 581 CG LEU A 37 17.217 -6.755 10.779 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.538 -7.597 9.542 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.613 -5.289 10.593 1.00 0.00 C ATOM 0 H LEU A 37 13.986 -5.068 11.517 1.00 0.00 H new ATOM 0 HA LEU A 37 15.311 -6.270 9.189 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.569 -6.305 12.068 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.534 -7.923 11.396 1.00 0.00 H new ATOM 0 HG LEU A 37 17.815 -7.148 11.601 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.594 -7.491 9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.317 -8.644 9.748 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.932 -7.256 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.668 -5.228 10.324 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.010 -4.847 9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.444 -4.746 11.523 1.00 0.00 H new ATOM 595 N ASN A 38 12.746 -7.627 10.732 1.00 0.00 N ATOM 596 CA ASN A 38 11.662 -8.580 10.567 1.00 0.00 C ATOM 597 C ASN A 38 11.162 -8.532 9.122 1.00 0.00 C ATOM 598 O ASN A 38 10.691 -9.537 8.591 1.00 0.00 O ATOM 599 CB ASN A 38 10.487 -8.243 11.486 1.00 0.00 C ATOM 600 CG ASN A 38 10.081 -6.775 11.340 1.00 0.00 C ATOM 601 OD1 ASN A 38 10.727 -5.872 11.846 1.00 0.00 O ATOM 602 ND2 ASN A 38 8.977 -6.587 10.622 1.00 0.00 N ATOM 0 H ASN A 38 12.737 -7.120 11.617 1.00 0.00 H new ATOM 0 HA ASN A 38 12.043 -9.570 10.818 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.638 -8.884 11.247 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.760 -8.447 12.521 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.624 -5.643 10.467 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.484 -7.387 10.226 1.00 0.00 H new ATOM 609 N ILE A 39 11.281 -7.354 8.527 1.00 0.00 N ATOM 610 CA ILE A 39 10.846 -7.162 7.154 1.00 0.00 C ATOM 611 C ILE A 39 11.959 -7.610 6.204 1.00 0.00 C ATOM 612 O ILE A 39 11.775 -8.543 5.424 1.00 0.00 O ATOM 613 CB ILE A 39 10.393 -5.717 6.933 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.302 -5.325 7.931 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.951 -5.497 5.485 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.183 -6.368 7.957 1.00 0.00 C ATOM 0 H ILE A 39 11.672 -6.523 8.971 1.00 0.00 H new ATOM 0 HA ILE A 39 9.975 -7.781 6.940 1.00 0.00 H new ATOM 0 HB ILE A 39 11.244 -5.061 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.734 -5.225 8.927 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.891 -4.352 7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.634 -4.462 5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.784 -5.709 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.120 -6.163 5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.420 -6.065 8.674 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.737 -6.448 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.593 -7.335 8.250 1.00 0.00 H new ATOM 628 N GLN A 40 13.088 -6.925 6.302 1.00 0.00 N ATOM 629 CA GLN A 40 14.230 -7.241 5.461 1.00 0.00 C ATOM 630 C GLN A 40 14.357 -8.755 5.285 1.00 0.00 C ATOM 631 O GLN A 40 14.464 -9.246 4.162 1.00 0.00 O ATOM 632 CB GLN A 40 15.517 -6.646 6.037 1.00 0.00 C ATOM 633 CG GLN A 40 15.592 -5.141 5.772 1.00 0.00 C ATOM 634 CD GLN A 40 17.037 -4.643 5.851 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.195 -3.563 6.611 1.00 0.00 O flip ATOM 636 NE2 GLN A 40 17.947 -5.202 5.261 1.00 0.00 N flip ATOM 0 H GLN A 40 13.237 -6.152 6.951 1.00 0.00 H new ATOM 0 HA GLN A 40 14.069 -6.793 4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.560 -6.832 7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.381 -7.141 5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.181 -4.920 4.787 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.980 -4.609 6.500 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.756 -6.028 4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.899 -4.843 5.335 1.00 0.00 H new ATOM 645 N GLY A 41 14.340 -9.453 6.411 1.00 0.00 N ATOM 646 CA GLY A 41 14.452 -10.902 6.395 1.00 0.00 C ATOM 647 C GLY A 41 13.616 -11.504 5.263 1.00 0.00 C ATOM 648 O GLY A 41 14.023 -12.483 4.640 1.00 0.00 O ATOM 0 H GLY A 41 14.250 -9.042 7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.497 -11.188 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.121 -11.307 7.351 1.00 0.00 H new ATOM 652 N LEU A 42 12.463 -10.893 5.033 1.00 0.00 N ATOM 653 CA LEU A 42 11.566 -11.357 3.988 1.00 0.00 C ATOM 654 C LEU A 42 12.385 -11.742 2.754 1.00 0.00 C ATOM 655 O LEU A 42 13.446 -11.172 2.506 1.00 0.00 O ATOM 656 CB LEU A 42 10.485 -10.311 3.707 1.00 0.00 C ATOM 657 CG LEU A 42 9.575 -9.955 4.885 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.046 -8.525 4.756 1.00 0.00 C ATOM 659 CD2 LEU A 42 8.442 -10.974 5.030 1.00 0.00 C ATOM 0 H LEU A 42 12.129 -10.081 5.552 1.00 0.00 H new ATOM 0 HA LEU A 42 11.035 -12.252 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.971 -9.399 3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.862 -10.672 2.888 1.00 0.00 H new ATOM 0 HG LEU A 42 10.167 -9.999 5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.402 -8.297 5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.883 -7.828 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.475 -8.430 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.810 -10.698 5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.845 -10.986 4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.863 -11.965 5.201 1.00 0.00 H new ATOM 748 N ASP A 48 11.992 -6.845 -6.966 1.00 0.00 N ATOM 749 CA ASP A 48 10.899 -6.536 -6.060 1.00 0.00 C ATOM 750 C ASP A 48 11.436 -5.724 -4.880 1.00 0.00 C ATOM 751 O ASP A 48 12.512 -6.015 -4.359 1.00 0.00 O ATOM 752 CB ASP A 48 10.265 -7.813 -5.505 1.00 0.00 C ATOM 753 CG ASP A 48 9.877 -8.853 -6.558 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.556 -8.878 -7.607 1.00 0.00 O ATOM 755 OD2 ASP A 48 8.910 -9.598 -6.291 1.00 0.00 O ATOM 0 HA ASP A 48 10.149 -5.974 -6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.962 -8.271 -4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.374 -7.542 -4.939 1.00 0.00 H new ATOM 760 N PHE A 49 10.662 -4.720 -4.492 1.00 0.00 N ATOM 761 CA PHE A 49 11.046 -3.864 -3.383 1.00 0.00 C ATOM 762 C PHE A 49 9.984 -3.883 -2.282 1.00 0.00 C ATOM 763 O PHE A 49 8.845 -4.282 -2.520 1.00 0.00 O ATOM 764 CB PHE A 49 11.165 -2.442 -3.937 1.00 0.00 C ATOM 765 CG PHE A 49 10.114 -2.096 -4.994 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.804 -1.996 -4.643 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.491 -1.889 -6.284 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.829 -1.674 -5.624 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.516 -1.568 -7.265 1.00 0.00 C ATOM 770 CZ PHE A 49 8.206 -1.467 -6.915 1.00 0.00 C ATOM 0 H PHE A 49 9.771 -4.481 -4.926 1.00 0.00 H new ATOM 0 HA PHE A 49 11.984 -4.213 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.083 -1.734 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.157 -2.314 -4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.505 -2.161 -3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.531 -1.969 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.789 -1.593 -5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.815 -1.404 -8.290 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.465 -1.223 -7.662 1.00 0.00 H new ATOM 780 N PRO A 50 10.405 -3.434 -1.070 1.00 0.00 N ATOM 781 CA PRO A 50 9.503 -3.395 0.069 1.00 0.00 C ATOM 782 C PRO A 50 8.513 -2.236 -0.055 1.00 0.00 C ATOM 783 O PRO A 50 8.892 -1.129 -0.434 1.00 0.00 O ATOM 784 CB PRO A 50 10.408 -3.276 1.284 1.00 0.00 C ATOM 785 CG PRO A 50 11.748 -2.785 0.759 1.00 0.00 C ATOM 786 CD PRO A 50 11.746 -2.952 -0.751 1.00 0.00 C ATOM 0 HA PRO A 50 8.878 -4.285 0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.994 -2.578 2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.514 -4.237 1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.903 -1.740 1.027 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.564 -3.353 1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.957 -2.008 -1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.508 -3.662 -1.072 1.00 0.00 H new ATOM 794 N VAL A 51 7.263 -2.529 0.272 1.00 0.00 N ATOM 795 CA VAL A 51 6.215 -1.525 0.202 1.00 0.00 C ATOM 796 C VAL A 51 5.353 -1.605 1.463 1.00 0.00 C ATOM 797 O VAL A 51 5.087 -2.694 1.969 1.00 0.00 O ATOM 798 CB VAL A 51 5.408 -1.700 -1.086 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.295 -1.512 -2.319 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.710 -3.061 -1.115 1.00 0.00 C ATOM 0 H VAL A 51 6.952 -3.448 0.586 1.00 0.00 H new ATOM 0 HA VAL A 51 6.646 -0.525 0.166 1.00 0.00 H new ATOM 0 HB VAL A 51 4.638 -0.928 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.697 -1.642 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.724 -0.510 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.097 -2.250 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.143 -3.160 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.456 -3.854 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.032 -3.141 -0.265 1.00 0.00 H new ATOM 810 N PHE A 52 4.941 -0.437 1.934 1.00 0.00 N ATOM 811 CA PHE A 52 4.114 -0.361 3.127 1.00 0.00 C ATOM 812 C PHE A 52 2.636 -0.215 2.761 1.00 0.00 C ATOM 813 O PHE A 52 2.257 0.717 2.053 1.00 0.00 O ATOM 814 CB PHE A 52 4.560 0.880 3.902 1.00 0.00 C ATOM 815 CG PHE A 52 3.821 1.087 5.225 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.943 0.170 6.223 1.00 0.00 C ATOM 817 CD2 PHE A 52 3.041 2.187 5.404 1.00 0.00 C ATOM 818 CE1 PHE A 52 3.257 0.362 7.451 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.355 2.378 6.633 1.00 0.00 C ATOM 820 CZ PHE A 52 2.477 1.462 7.630 1.00 0.00 C ATOM 0 H PHE A 52 5.164 0.464 1.511 1.00 0.00 H new ATOM 0 HA PHE A 52 4.227 -1.271 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.629 0.806 4.103 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.414 1.759 3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.562 -0.704 6.081 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.943 2.915 4.612 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.354 -0.365 8.243 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.736 3.252 6.775 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.955 1.608 8.564 1.00 0.00 H new ATOM 830 N PHE A 53 1.840 -1.150 3.260 1.00 0.00 N ATOM 831 CA PHE A 53 0.412 -1.137 2.995 1.00 0.00 C ATOM 832 C PHE A 53 -0.330 -0.283 4.026 1.00 0.00 C ATOM 833 O PHE A 53 -0.358 -0.618 5.209 1.00 0.00 O ATOM 834 CB PHE A 53 -0.076 -2.583 3.102 1.00 0.00 C ATOM 835 CG PHE A 53 0.240 -3.439 1.874 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.504 -3.468 1.373 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.742 -4.171 1.283 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.798 -4.263 0.233 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.449 -4.965 0.143 1.00 0.00 C ATOM 840 CZ PHE A 53 0.815 -4.994 -0.358 1.00 0.00 C ATOM 0 H PHE A 53 2.158 -1.922 3.847 1.00 0.00 H new ATOM 0 HA PHE A 53 0.221 -0.715 2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.376 -3.044 3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.154 -2.581 3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.284 -2.887 1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.746 -4.148 1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.802 -4.287 -0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.230 -5.546 -0.326 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.038 -5.598 -1.225 1.00 0.00 H new ATOM 850 N PHE A 54 -0.912 0.802 3.538 1.00 0.00 N ATOM 851 CA PHE A 54 -1.652 1.706 4.403 1.00 0.00 C ATOM 852 C PHE A 54 -2.861 1.004 5.025 1.00 0.00 C ATOM 853 O PHE A 54 -3.303 -0.033 4.531 1.00 0.00 O ATOM 854 CB PHE A 54 -2.143 2.861 3.527 1.00 0.00 C ATOM 855 CG PHE A 54 -1.031 3.572 2.754 1.00 0.00 C ATOM 856 CD1 PHE A 54 0.090 3.987 3.403 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.163 3.789 1.418 1.00 0.00 C ATOM 858 CE1 PHE A 54 1.122 4.648 2.685 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.131 4.450 0.700 1.00 0.00 C ATOM 860 CZ PHE A 54 0.990 4.865 1.349 1.00 0.00 C ATOM 0 H PHE A 54 -0.887 1.076 2.556 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.011 2.053 5.213 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.877 2.479 2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.656 3.588 4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.195 3.814 4.464 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.053 3.459 0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.012 4.978 3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.236 4.623 -0.361 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.775 5.367 0.803 1.00 0.00 H new ATOM 870 N GLY A 55 -3.361 1.597 6.099 1.00 0.00 N ATOM 871 CA GLY A 55 -4.510 1.041 6.793 1.00 0.00 C ATOM 872 C GLY A 55 -4.093 -0.116 7.704 1.00 0.00 C ATOM 873 O GLY A 55 -4.365 -0.096 8.903 1.00 0.00 O ATOM 0 H GLY A 55 -2.992 2.457 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.993 1.818 7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.244 0.691 6.067 1.00 0.00 H new ATOM 877 N SER A 56 -3.440 -1.097 7.099 1.00 0.00 N ATOM 878 CA SER A 56 -2.983 -2.261 7.840 1.00 0.00 C ATOM 879 C SER A 56 -1.640 -1.960 8.509 1.00 0.00 C ATOM 880 O SER A 56 -1.465 -2.215 9.700 1.00 0.00 O ATOM 881 CB SER A 56 -2.859 -3.482 6.926 1.00 0.00 C ATOM 882 OG SER A 56 -2.736 -4.693 7.668 1.00 0.00 O ATOM 0 H SER A 56 -3.216 -1.110 6.104 1.00 0.00 H new ATOM 0 HA SER A 56 -3.722 -2.490 8.608 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.734 -3.541 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.990 -3.364 6.278 1.00 0.00 H new ATOM 0 HG SER A 56 -2.145 -5.311 7.190 1.00 0.00 H new ATOM 888 N HIS A 57 -0.726 -1.424 7.714 1.00 0.00 N ATOM 889 CA HIS A 57 0.596 -1.086 8.215 1.00 0.00 C ATOM 890 C HIS A 57 1.468 -2.342 8.248 1.00 0.00 C ATOM 891 O HIS A 57 1.770 -2.865 9.320 1.00 0.00 O ATOM 892 CB HIS A 57 0.501 -0.394 9.576 1.00 0.00 C ATOM 893 CG HIS A 57 -0.606 0.629 9.669 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.378 1.197 8.699 1.00 0.00 N flip ATOM 895 CD2 HIS A 57 -1.021 1.177 10.870 1.00 0.00 C flip ATOM 896 CE1 HIS A 57 -2.220 2.046 9.276 1.00 0.00 C flip ATOM 897 NE2 HIS A 57 -2.000 2.035 10.622 1.00 0.00 N flip ATOM 0 H HIS A 57 -0.874 -1.215 6.727 1.00 0.00 H new ATOM 0 HA HIS A 57 1.072 -0.372 7.543 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.349 -1.150 10.347 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.452 0.094 9.791 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.616 0.945 11.844 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.957 2.646 8.764 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.501 2.590 11.316 1.00 0.00 H new ATOM 905 N ASP A 58 1.849 -2.791 7.061 1.00 0.00 N ATOM 906 CA ASP A 58 2.681 -3.976 6.940 1.00 0.00 C ATOM 907 C ASP A 58 3.537 -3.867 5.677 1.00 0.00 C ATOM 908 O ASP A 58 3.067 -3.394 4.643 1.00 0.00 O ATOM 909 CB ASP A 58 1.826 -5.240 6.825 1.00 0.00 C ATOM 910 CG ASP A 58 0.547 -5.233 7.663 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.664 -4.955 8.876 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.520 -5.507 7.072 1.00 0.00 O ATOM 0 H ASP A 58 1.597 -2.355 6.174 1.00 0.00 H new ATOM 0 HA ASP A 58 3.304 -4.042 7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.556 -5.384 5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.431 -6.098 7.119 1.00 0.00 H new ATOM 917 N TYR A 59 4.779 -4.312 5.801 1.00 0.00 N ATOM 918 CA TYR A 59 5.704 -4.271 4.682 1.00 0.00 C ATOM 919 C TYR A 59 5.738 -5.613 3.948 1.00 0.00 C ATOM 920 O TYR A 59 5.571 -6.665 4.563 1.00 0.00 O ATOM 921 CB TYR A 59 7.084 -3.998 5.286 1.00 0.00 C ATOM 922 CG TYR A 59 7.160 -2.711 6.109 1.00 0.00 C ATOM 923 CD1 TYR A 59 7.275 -1.491 5.473 1.00 0.00 C ATOM 924 CD2 TYR A 59 7.113 -2.769 7.487 1.00 0.00 C ATOM 925 CE1 TYR A 59 7.346 -0.280 6.248 1.00 0.00 C ATOM 926 CE2 TYR A 59 7.184 -1.558 8.262 1.00 0.00 C ATOM 927 CZ TYR A 59 7.297 -0.373 7.604 1.00 0.00 C ATOM 928 OH TYR A 59 7.365 0.772 8.336 1.00 0.00 O ATOM 0 H TYR A 59 5.166 -4.703 6.660 1.00 0.00 H new ATOM 0 HA TYR A 59 5.403 -3.509 3.963 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.365 -4.839 5.920 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.818 -3.946 4.481 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.312 -1.445 4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.023 -3.723 7.984 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.436 0.681 5.763 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.148 -1.590 9.341 1.00 0.00 H new ATOM 0 HH TYR A 59 7.317 0.554 9.290 1.00 0.00 H new ATOM 938 N TYR A 60 5.955 -5.532 2.643 1.00 0.00 N ATOM 939 CA TYR A 60 6.013 -6.727 1.819 1.00 0.00 C ATOM 940 C TYR A 60 6.900 -6.505 0.593 1.00 0.00 C ATOM 941 O TYR A 60 7.078 -5.372 0.148 1.00 0.00 O ATOM 942 CB TYR A 60 4.578 -6.989 1.355 1.00 0.00 C ATOM 943 CG TYR A 60 3.606 -7.310 2.492 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.847 -8.385 3.323 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.487 -6.525 2.686 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.932 -8.687 4.393 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.572 -6.828 3.755 1.00 0.00 C ATOM 948 CZ TYR A 60 1.839 -7.894 4.556 1.00 0.00 C ATOM 949 OH TYR A 60 0.975 -8.179 5.566 1.00 0.00 O ATOM 0 H TYR A 60 6.093 -4.657 2.137 1.00 0.00 H new ATOM 0 HA TYR A 60 6.430 -7.562 2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.215 -6.113 0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.581 -7.819 0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.722 -9.000 3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.298 -5.684 2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.110 -9.524 5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.693 -6.222 3.917 1.00 0.00 H new ATOM 0 HH TYR A 60 0.242 -7.529 5.563 1.00 0.00 H new ATOM 959 N TRP A 61 7.433 -7.604 0.081 1.00 0.00 N ATOM 960 CA TRP A 61 8.297 -7.544 -1.086 1.00 0.00 C ATOM 961 C TRP A 61 7.484 -7.992 -2.301 1.00 0.00 C ATOM 962 O TRP A 61 7.186 -9.177 -2.451 1.00 0.00 O ATOM 963 CB TRP A 61 9.563 -8.377 -0.874 1.00 0.00 C ATOM 964 CG TRP A 61 10.469 -7.859 0.246 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.327 -8.030 1.567 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.669 -7.074 0.087 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.344 -7.415 2.269 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.186 -6.815 1.340 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.298 -6.598 -1.078 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.355 -6.073 1.549 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.465 -5.858 -0.852 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.998 -5.589 0.404 1.00 0.00 C ATOM 0 H TRP A 61 7.283 -8.542 0.453 1.00 0.00 H new ATOM 0 HA TRP A 61 8.644 -6.525 -1.256 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.276 -9.404 -0.649 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.130 -8.401 -1.805 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.518 -8.580 2.025 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.457 -7.403 3.283 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.911 -6.788 -2.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.740 -5.884 2.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.988 -5.469 -1.713 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.904 -5.009 0.495 1.00 0.00 H new ATOM 983 N VAL A 62 7.146 -7.022 -3.138 1.00 0.00 N ATOM 984 CA VAL A 62 6.372 -7.302 -4.336 1.00 0.00 C ATOM 985 C VAL A 62 7.096 -6.723 -5.552 1.00 0.00 C ATOM 986 O VAL A 62 7.635 -5.619 -5.491 1.00 0.00 O ATOM 987 CB VAL A 62 4.948 -6.766 -4.176 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.300 -7.303 -2.898 1.00 0.00 C ATOM 989 CG2 VAL A 62 4.933 -5.236 -4.197 1.00 0.00 C ATOM 0 H VAL A 62 7.394 -6.041 -3.010 1.00 0.00 H new ATOM 0 HA VAL A 62 6.284 -8.377 -4.492 1.00 0.00 H new ATOM 0 HB VAL A 62 4.360 -7.119 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.289 -6.907 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.261 -8.391 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.888 -6.994 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.909 -4.881 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.544 -4.855 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.335 -4.881 -5.146 1.00 0.00 H new ATOM 999 N HIS A 63 7.085 -7.494 -6.630 1.00 0.00 N ATOM 1000 CA HIS A 63 7.734 -7.071 -7.859 1.00 0.00 C ATOM 1001 C HIS A 63 7.225 -5.684 -8.258 1.00 0.00 C ATOM 1002 O HIS A 63 6.375 -5.112 -7.577 1.00 0.00 O ATOM 1003 CB HIS A 63 7.540 -8.113 -8.962 1.00 0.00 C ATOM 1004 CG HIS A 63 6.094 -8.398 -9.291 1.00 0.00 C ATOM 1005 ND1 HIS A 63 5.697 -8.986 -10.479 1.00 0.00 N ATOM 1006 CD2 HIS A 63 4.956 -8.170 -8.575 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.377 -9.101 -10.468 1.00 0.00 C ATOM 1008 NE2 HIS A 63 3.920 -8.594 -9.288 1.00 0.00 N ATOM 0 H HIS A 63 6.637 -8.409 -6.677 1.00 0.00 H new ATOM 0 HA HIS A 63 8.809 -6.993 -7.698 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.046 -7.770 -9.864 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.023 -9.042 -8.659 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.315 -9.281 -11.235 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.906 -7.721 -7.594 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.770 -9.522 -11.256 1.00 0.00 H new ATOM 1016 N GLN A 64 7.766 -5.184 -9.359 1.00 0.00 N ATOM 1017 CA GLN A 64 7.377 -3.876 -9.856 1.00 0.00 C ATOM 1018 C GLN A 64 6.506 -4.020 -11.106 1.00 0.00 C ATOM 1019 O GLN A 64 6.511 -5.066 -11.753 1.00 0.00 O ATOM 1020 CB GLN A 64 8.606 -3.010 -10.141 1.00 0.00 C ATOM 1021 CG GLN A 64 9.343 -3.499 -11.390 1.00 0.00 C ATOM 1022 CD GLN A 64 10.316 -2.435 -11.904 1.00 0.00 C ATOM 1023 OE1 GLN A 64 10.041 -1.707 -12.843 1.00 0.00 O ATOM 1024 NE2 GLN A 64 11.466 -2.387 -11.237 1.00 0.00 N ATOM 0 H GLN A 64 8.471 -5.662 -9.921 1.00 0.00 H new ATOM 0 HA GLN A 64 6.791 -3.376 -9.085 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.301 -1.973 -10.277 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.279 -3.034 -9.284 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.888 -4.415 -11.160 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.622 -3.744 -12.170 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.632 -3.026 -10.460 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.182 -1.711 -11.503 1.00 0.00 H new ATOM 1033 N GLY A 65 5.780 -2.954 -11.408 1.00 0.00 N ATOM 1034 CA GLY A 65 4.906 -2.948 -12.569 1.00 0.00 C ATOM 1035 C GLY A 65 3.466 -3.284 -12.173 1.00 0.00 C ATOM 1036 O GLY A 65 2.522 -2.869 -12.842 1.00 0.00 O ATOM 0 H GLY A 65 5.779 -2.088 -10.869 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.937 -1.969 -13.047 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.264 -3.671 -13.302 1.00 0.00 H new ATOM 1040 N ARG A 66 3.344 -4.032 -11.086 1.00 0.00 N ATOM 1041 CA ARG A 66 2.036 -4.428 -10.593 1.00 0.00 C ATOM 1042 C ARG A 66 1.391 -3.277 -9.817 1.00 0.00 C ATOM 1043 O ARG A 66 0.204 -3.327 -9.499 1.00 0.00 O ATOM 1044 CB ARG A 66 2.138 -5.653 -9.682 1.00 0.00 C ATOM 1045 CG ARG A 66 1.904 -6.943 -10.471 1.00 0.00 C ATOM 1046 CD ARG A 66 1.263 -8.016 -9.589 1.00 0.00 C ATOM 1047 NE ARG A 66 1.329 -9.332 -10.264 1.00 0.00 N ATOM 1048 CZ ARG A 66 0.585 -9.669 -11.326 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -0.286 -8.791 -11.841 1.00 0.00 N ATOM 1050 NH2 ARG A 66 0.712 -10.886 -11.873 1.00 0.00 N ATOM 0 H ARG A 66 4.130 -4.374 -10.533 1.00 0.00 H new ATOM 0 HA ARG A 66 1.419 -4.681 -11.455 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.122 -5.682 -9.214 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.405 -5.576 -8.879 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.261 -6.739 -11.327 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.852 -7.310 -10.865 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.777 -8.064 -8.629 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.225 -7.756 -9.382 1.00 0.00 H new ATOM 0 HE ARG A 66 1.981 -10.025 -9.898 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.383 -7.865 -11.425 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.852 -9.049 -12.650 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.375 -11.555 -11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.146 -11.143 -12.682 1.00 0.00 H new ATOM 1064 N VAL A 67 2.202 -2.268 -9.535 1.00 0.00 N ATOM 1065 CA VAL A 67 1.725 -1.107 -8.803 1.00 0.00 C ATOM 1066 C VAL A 67 1.418 0.022 -9.789 1.00 0.00 C ATOM 1067 O VAL A 67 2.054 0.125 -10.838 1.00 0.00 O ATOM 1068 CB VAL A 67 2.744 -0.707 -7.735 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.467 -1.936 -7.179 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.742 0.315 -8.284 1.00 0.00 C ATOM 0 H VAL A 67 3.186 -2.230 -9.800 1.00 0.00 H new ATOM 0 HA VAL A 67 0.799 -1.341 -8.278 1.00 0.00 H new ATOM 0 HB VAL A 67 2.202 -0.238 -6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.186 -1.624 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.740 -2.614 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.990 -2.447 -7.987 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.455 0.582 -7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.275 -0.116 -9.131 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.207 1.208 -8.608 1.00 0.00 H new ATOM 1080 N PHE A 68 0.445 0.841 -9.419 1.00 0.00 N ATOM 1081 CA PHE A 68 0.046 1.958 -10.257 1.00 0.00 C ATOM 1082 C PHE A 68 0.419 3.292 -9.607 1.00 0.00 C ATOM 1083 O PHE A 68 0.395 3.419 -8.384 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.474 1.885 -10.408 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.943 1.531 -11.821 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -2.004 0.230 -12.212 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.300 2.518 -12.686 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -2.439 -0.098 -13.523 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.736 2.190 -13.997 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.796 0.889 -14.388 1.00 0.00 C ATOM 0 H PHE A 68 -0.079 0.753 -8.549 1.00 0.00 H new ATOM 0 HA PHE A 68 0.553 1.899 -11.220 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.863 1.143 -9.711 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.904 2.846 -10.124 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.721 -0.554 -11.525 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.252 3.551 -12.376 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.486 -1.131 -13.833 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.020 2.974 -14.684 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.127 0.639 -15.385 1.00 0.00 H new ATOM 1100 N PRO A 69 0.764 4.279 -10.477 1.00 0.00 N ATOM 1101 CA PRO A 69 1.141 5.599 -10.000 1.00 0.00 C ATOM 1102 C PRO A 69 -0.087 6.387 -9.538 1.00 0.00 C ATOM 1103 O PRO A 69 -1.055 6.528 -10.285 1.00 0.00 O ATOM 1104 CB PRO A 69 1.859 6.250 -11.170 1.00 0.00 C ATOM 1105 CG PRO A 69 1.452 5.457 -12.402 1.00 0.00 C ATOM 1106 CD PRO A 69 0.804 4.166 -11.931 1.00 0.00 C ATOM 0 HA PRO A 69 1.789 5.560 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.575 7.298 -11.268 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.939 6.225 -11.028 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.757 6.032 -13.014 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.322 5.243 -13.023 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.197 4.051 -12.347 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.381 3.296 -12.245 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.008 6.879 -8.311 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.101 7.649 -7.741 1.00 0.00 C ATOM 1116 C TYR A 70 -1.020 9.116 -8.169 1.00 0.00 C ATOM 1117 O TYR A 70 0.011 9.762 -7.989 1.00 0.00 O ATOM 1118 CB TYR A 70 -0.931 7.562 -6.223 1.00 0.00 C ATOM 1119 CG TYR A 70 -1.985 8.342 -5.434 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -1.895 9.716 -5.333 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.025 7.672 -4.823 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -2.887 10.449 -4.590 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.017 8.406 -4.080 1.00 0.00 C ATOM 1124 CZ TYR A 70 -3.899 9.758 -4.000 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.835 10.451 -3.299 1.00 0.00 O ATOM 0 H TYR A 70 0.796 6.760 -7.695 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.062 7.259 -8.077 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.968 6.515 -5.923 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.058 7.935 -5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.081 10.241 -5.811 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.095 6.597 -4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.829 11.524 -4.503 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.836 7.894 -3.597 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.498 9.828 -2.934 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.120 9.598 -8.726 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.187 10.977 -9.181 1.00 0.00 C ATOM 1137 C VAL A 71 -2.900 11.824 -8.125 1.00 0.00 C ATOM 1138 O VAL A 71 -3.652 11.297 -7.307 1.00 0.00 O ATOM 1139 CB VAL A 71 -2.858 11.043 -10.554 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -3.069 12.494 -10.991 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -2.051 10.268 -11.597 1.00 0.00 C ATOM 0 H VAL A 71 -2.973 9.059 -8.873 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.185 11.388 -9.304 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.837 10.572 -10.471 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.548 12.513 -11.970 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.704 13.003 -10.267 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.106 13.001 -11.048 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.550 10.331 -12.564 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.052 10.696 -11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.975 9.223 -11.296 1.00 0.00 H new ATOM 1151 N GLU A 72 -2.638 13.121 -8.177 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.245 14.046 -7.236 1.00 0.00 C ATOM 1153 C GLU A 72 -4.202 14.993 -7.964 1.00 0.00 C ATOM 1154 O GLU A 72 -3.782 16.025 -8.484 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.177 14.828 -6.469 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.611 15.075 -5.023 1.00 0.00 C ATOM 1157 CD GLU A 72 -3.832 15.995 -4.965 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -3.615 17.226 -4.951 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -4.955 15.446 -4.937 1.00 0.00 O ATOM 0 H GLU A 72 -2.013 13.554 -8.857 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.818 13.470 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.238 14.275 -6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.993 15.781 -6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.844 14.125 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.788 15.521 -4.464 1.00 0.00 H new ATOM 1367 N THR A 87 -11.220 0.022 7.628 1.00 0.00 N ATOM 1368 CA THR A 87 -9.779 0.006 7.446 1.00 0.00 C ATOM 1369 C THR A 87 -9.404 0.639 6.105 1.00 0.00 C ATOM 1370 O THR A 87 -8.516 1.488 6.041 1.00 0.00 O ATOM 1371 CB THR A 87 -9.300 -1.440 7.591 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.334 -1.678 8.995 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.825 -1.608 7.219 1.00 0.00 C ATOM 0 HA THR A 87 -9.278 0.607 8.205 1.00 0.00 H new ATOM 0 HB THR A 87 -9.909 -2.089 6.962 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.098 -1.206 9.388 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.536 -2.652 7.339 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.675 -1.307 6.182 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.212 -0.985 7.870 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.099 0.202 5.065 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.851 0.715 3.729 1.00 0.00 C ATOM 1383 C PHE A 88 -9.660 2.233 3.751 1.00 0.00 C ATOM 1384 O PHE A 88 -8.666 2.745 3.238 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.082 0.380 2.884 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.933 0.727 1.402 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.939 0.160 0.667 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.795 1.602 0.819 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.801 0.482 -0.709 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.657 1.925 -0.557 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.663 1.358 -1.292 1.00 0.00 C ATOM 0 H PHE A 88 -10.835 -0.502 5.121 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.944 0.267 3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.295 -0.685 2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.943 0.914 3.287 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.255 -0.535 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.585 2.052 1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.012 0.031 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.341 2.621 -1.020 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.558 1.603 -2.339 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.628 2.910 4.351 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.579 4.359 4.447 1.00 0.00 C ATOM 1403 C LYS A 89 -9.271 4.778 5.121 1.00 0.00 C ATOM 1404 O LYS A 89 -8.560 5.647 4.619 1.00 0.00 O ATOM 1405 CB LYS A 89 -11.831 4.892 5.147 1.00 0.00 C ATOM 1406 CG LYS A 89 -11.505 6.132 5.982 1.00 0.00 C ATOM 1407 CD LYS A 89 -12.784 6.835 6.443 1.00 0.00 C ATOM 1408 CE LYS A 89 -12.466 7.974 7.412 1.00 0.00 C ATOM 1409 NZ LYS A 89 -13.339 7.900 8.605 1.00 0.00 N ATOM 0 H LYS A 89 -11.451 2.482 4.775 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.583 4.807 3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.590 5.138 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.251 4.117 5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.911 5.845 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.899 6.821 5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.319 7.228 5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.444 6.115 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.421 7.920 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.604 8.933 6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.109 8.681 9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.334 7.974 8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.188 6.993 9.090 1.00 0.00 H new ATOM 1423 N LYS A 90 -8.994 4.140 6.249 1.00 0.00 N ATOM 1424 CA LYS A 90 -7.784 4.435 6.997 1.00 0.00 C ATOM 1425 C LYS A 90 -6.599 4.512 6.033 1.00 0.00 C ATOM 1426 O LYS A 90 -5.692 5.322 6.221 1.00 0.00 O ATOM 1427 CB LYS A 90 -7.592 3.422 8.127 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.547 4.120 9.488 1.00 0.00 C ATOM 1429 CD LYS A 90 -8.267 3.292 10.554 1.00 0.00 C ATOM 1430 CE LYS A 90 -7.281 2.404 11.316 1.00 0.00 C ATOM 1431 NZ LYS A 90 -7.922 1.835 12.523 1.00 0.00 N ATOM 0 H LYS A 90 -9.587 3.420 6.663 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.864 5.408 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.406 2.697 8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.668 2.866 7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.510 4.279 9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.011 5.103 9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.778 3.956 11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.031 2.673 10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.932 1.599 10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.405 2.986 11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.239 1.235 13.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.234 2.606 13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.744 1.263 12.243 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.644 3.658 5.021 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.585 3.619 4.026 1.00 0.00 C ATOM 1447 C ALA A 91 -5.748 4.801 3.068 1.00 0.00 C ATOM 1448 O ALA A 91 -4.838 5.614 2.920 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.615 2.272 3.302 1.00 0.00 C ATOM 0 H ALA A 91 -7.397 2.987 4.868 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.608 3.712 4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.821 2.242 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.466 1.468 4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.580 2.144 2.811 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.914 4.857 2.442 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.208 5.926 1.502 1.00 0.00 C ATOM 1457 C LEU A 92 -6.688 7.250 2.063 1.00 0.00 C ATOM 1458 O LEU A 92 -5.932 7.957 1.397 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.700 5.945 1.162 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.242 4.704 0.451 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.770 4.653 0.526 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.736 4.634 -0.991 1.00 0.00 C ATOM 0 H LEU A 92 -7.666 4.180 2.567 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.692 5.755 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.261 6.084 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.898 6.814 0.535 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.865 3.822 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.130 3.761 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.082 4.622 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.188 5.540 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.136 3.742 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.064 5.520 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.647 4.590 -0.993 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.112 7.547 3.283 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.698 8.775 3.941 1.00 0.00 C ATOM 1476 C GLU A 93 -5.173 8.832 4.047 1.00 0.00 C ATOM 1477 O GLU A 93 -4.536 9.693 3.442 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.349 8.904 5.319 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.864 9.077 5.196 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.393 10.048 6.254 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.554 9.597 7.408 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -9.625 11.219 5.883 1.00 0.00 O ATOM 0 H GLU A 93 -7.738 6.959 3.833 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.032 9.619 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.128 8.018 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.924 9.757 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.112 9.447 4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.354 8.110 5.307 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.630 7.903 4.821 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.192 7.837 5.015 1.00 0.00 C ATOM 1491 C GLU A 94 -2.468 8.011 3.678 1.00 0.00 C ATOM 1492 O GLU A 94 -1.619 8.890 3.538 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.789 6.524 5.689 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.680 6.697 7.206 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.314 6.232 7.714 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -0.798 5.251 7.137 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -0.816 6.869 8.667 1.00 0.00 O ATOM 0 H GLU A 94 -5.161 7.190 5.321 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.896 8.652 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.524 5.753 5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.834 6.184 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.832 7.744 7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.468 6.127 7.698 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.830 7.159 2.730 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.225 7.208 1.410 1.00 0.00 C ATOM 1506 C ALA A 95 -2.080 8.668 0.974 1.00 0.00 C ATOM 1507 O ALA A 95 -1.003 9.091 0.557 1.00 0.00 O ATOM 1508 CB ALA A 95 -3.069 6.388 0.431 1.00 0.00 C ATOM 0 H ALA A 95 -3.534 6.431 2.850 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.228 6.769 1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.615 6.425 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.117 5.353 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.076 6.802 0.384 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.181 9.397 1.084 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.190 10.800 0.707 1.00 0.00 C ATOM 1516 C ALA A 96 -2.118 11.545 1.505 1.00 0.00 C ATOM 1517 O ALA A 96 -1.205 12.133 0.927 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.588 11.379 0.927 1.00 0.00 C ATOM 0 H ALA A 96 -4.073 9.042 1.429 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.953 10.915 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.595 12.432 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.308 10.834 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.860 11.284 1.978 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.265 11.497 2.821 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.321 12.161 3.704 1.00 0.00 C ATOM 1526 C LYS A 97 0.102 11.923 3.194 1.00 0.00 C ATOM 1527 O LYS A 97 0.781 12.860 2.777 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.537 11.716 5.151 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.575 12.919 6.095 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.896 12.971 6.866 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.825 13.989 8.006 1.00 0.00 C ATOM 1532 NZ LYS A 97 -3.630 13.530 9.161 1.00 0.00 N ATOM 0 H LYS A 97 -3.023 11.009 3.297 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.487 13.238 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.471 11.159 5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.737 11.039 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.743 12.862 6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.447 13.838 5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.707 13.235 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.126 11.984 7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.788 14.131 8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.191 14.956 7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.571 14.232 9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.622 13.417 8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.263 12.618 9.499 1.00 0.00 H new ATOM 1546 N ARG A 98 0.511 10.663 3.243 1.00 0.00 N ATOM 1547 CA ARG A 98 1.841 10.290 2.791 1.00 0.00 C ATOM 1548 C ARG A 98 2.229 11.103 1.555 1.00 0.00 C ATOM 1549 O ARG A 98 3.205 11.851 1.581 1.00 0.00 O ATOM 1550 CB ARG A 98 1.910 8.799 2.455 1.00 0.00 C ATOM 1551 CG ARG A 98 2.014 7.954 3.726 1.00 0.00 C ATOM 1552 CD ARG A 98 3.440 7.969 4.279 1.00 0.00 C ATOM 1553 NE ARG A 98 3.766 6.654 4.875 1.00 0.00 N ATOM 1554 CZ ARG A 98 4.993 6.295 5.276 1.00 0.00 C ATOM 1555 NH1 ARG A 98 6.017 7.149 5.149 1.00 0.00 N ATOM 1556 NH2 ARG A 98 5.195 5.080 5.806 1.00 0.00 N ATOM 0 H ARG A 98 -0.055 9.888 3.589 1.00 0.00 H new ATOM 0 HA ARG A 98 2.538 10.501 3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.023 8.508 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.771 8.606 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.324 8.336 4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.714 6.928 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.146 8.201 3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.539 8.753 5.030 1.00 0.00 H new ATOM 0 HE ARG A 98 3.010 5.979 4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.863 8.074 4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.951 6.875 5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.415 4.430 5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.129 4.806 6.112 1.00 0.00 H new ATOM 1570 N PHE A 99 1.444 10.930 0.501 1.00 0.00 N ATOM 1571 CA PHE A 99 1.694 11.638 -0.743 1.00 0.00 C ATOM 1572 C PHE A 99 1.972 13.120 -0.483 1.00 0.00 C ATOM 1573 O PHE A 99 2.845 13.712 -1.116 1.00 0.00 O ATOM 1574 CB PHE A 99 0.427 11.511 -1.592 1.00 0.00 C ATOM 1575 CG PHE A 99 0.588 12.013 -3.028 1.00 0.00 C ATOM 1576 CD1 PHE A 99 1.154 11.211 -3.970 1.00 0.00 C ATOM 1577 CD2 PHE A 99 0.165 13.261 -3.363 1.00 0.00 C ATOM 1578 CE1 PHE A 99 1.303 11.677 -5.303 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.314 13.727 -4.696 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.880 12.925 -5.638 1.00 0.00 C ATOM 0 H PHE A 99 0.635 10.310 0.483 1.00 0.00 H new ATOM 0 HA PHE A 99 2.564 11.214 -1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.121 10.465 -1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.378 12.068 -1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.490 10.220 -3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.284 13.898 -2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.752 11.040 -6.051 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.022 14.718 -4.962 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.993 13.280 -6.652 1.00 0.00 H new ATOM 1590 N GLN A 100 1.214 13.678 0.449 1.00 0.00 N ATOM 1591 CA GLN A 100 1.368 15.079 0.800 1.00 0.00 C ATOM 1592 C GLN A 100 2.641 15.283 1.624 1.00 0.00 C ATOM 1593 O GLN A 100 3.279 16.331 1.538 1.00 0.00 O ATOM 1594 CB GLN A 100 0.139 15.594 1.553 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.152 15.146 0.866 1.00 0.00 C ATOM 1596 CD GLN A 100 -1.932 16.347 0.327 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.580 16.950 -0.674 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -3.007 16.660 1.044 1.00 0.00 N ATOM 0 H GLN A 100 0.491 13.185 0.972 1.00 0.00 H new ATOM 0 HA GLN A 100 1.458 15.656 -0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.156 15.226 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.169 16.682 1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.916 14.465 0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.771 14.593 1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.245 16.113 1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.594 17.447 0.766 1.00 0.00 H new ATOM 1607 N GLU A 101 2.972 14.265 2.404 1.00 0.00 N ATOM 1608 CA GLU A 101 4.157 14.319 3.243 1.00 0.00 C ATOM 1609 C GLU A 101 5.420 14.217 2.385 1.00 0.00 C ATOM 1610 O GLU A 101 6.295 15.078 2.457 1.00 0.00 O ATOM 1611 CB GLU A 101 4.127 13.220 4.307 1.00 0.00 C ATOM 1612 CG GLU A 101 2.729 13.081 4.912 1.00 0.00 C ATOM 1613 CD GLU A 101 2.808 12.700 6.392 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.253 13.564 7.178 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.421 11.553 6.704 1.00 0.00 O ATOM 0 H GLU A 101 2.440 13.397 2.473 1.00 0.00 H new ATOM 0 HA GLU A 101 4.168 15.279 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.431 12.272 3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.846 13.450 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.187 14.020 4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.167 12.323 4.367 1.00 0.00 H new ATOM 1622 N LEU A 102 5.474 13.156 1.593 1.00 0.00 N ATOM 1623 CA LEU A 102 6.615 12.930 0.722 1.00 0.00 C ATOM 1624 C LEU A 102 7.042 14.258 0.093 1.00 0.00 C ATOM 1625 O LEU A 102 8.148 14.737 0.337 1.00 0.00 O ATOM 1626 CB LEU A 102 6.299 11.838 -0.303 1.00 0.00 C ATOM 1627 CG LEU A 102 6.707 10.416 0.086 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.048 9.996 1.401 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.407 9.431 -1.045 1.00 0.00 C ATOM 0 H LEU A 102 4.746 12.444 1.536 1.00 0.00 H new ATOM 0 HA LEU A 102 7.465 12.560 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.226 11.847 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.793 12.093 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 102 7.785 10.403 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.355 8.981 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.355 10.677 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.964 10.030 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.707 8.428 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.339 9.441 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.961 9.722 -1.937 1.00 0.00 H new ATOM 1641 N LYS A 103 6.142 14.815 -0.704 1.00 0.00 N ATOM 1642 CA LYS A 103 6.412 16.078 -1.370 1.00 0.00 C ATOM 1643 C LYS A 103 6.763 17.137 -0.323 1.00 0.00 C ATOM 1644 O LYS A 103 7.780 17.819 -0.442 1.00 0.00 O ATOM 1645 CB LYS A 103 5.239 16.470 -2.271 1.00 0.00 C ATOM 1646 CG LYS A 103 3.945 16.593 -1.464 1.00 0.00 C ATOM 1647 CD LYS A 103 2.720 16.436 -2.367 1.00 0.00 C ATOM 1648 CE LYS A 103 1.833 17.682 -2.309 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.508 18.828 -2.958 1.00 0.00 N ATOM 0 H LYS A 103 5.225 14.415 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 103 7.274 15.984 -2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.456 17.418 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 103 5.113 15.724 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.925 15.833 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.913 17.562 -0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.041 16.261 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.146 15.562 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.883 17.483 -2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.606 17.926 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.873 19.652 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.378 19.059 -2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.748 18.579 -3.939 1.00 0.00 H new