USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 GLN : amide:sc= -0.206 X(o=-1.5,f=-1) USER MOD Set 1.2: B 13 ASN : amide:sc= -1.25! C(o=-1.5!,f=-1.6!) USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 35 SER OG : rot -12:sc= 0.0484 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -2.04 K(o=-2.4,f=-9.3!) USER MOD Set 3.2: A 19 THR OG1 : rot -17:sc= -0.374 USER MOD Single : A 16 ASN : amide:sc= -0.333 K(o=-0.33,f=1.1) USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= 0.0549 (180deg=-0.36) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0707 K(o=-0.071,f=-1.9) USER MOD Single : A 38 MET CE :methyl -166:sc= -0.893 (180deg=-1.58!) USER MOD Single : A 41 THR OG1 : rot 3:sc= 0.99 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -2.37 K(o=-2.4,f=-4.2!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 160:sc= -0.0717 USER MOD Single : A 65 TYR OH : rot 96:sc= 0.433 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.153 K(o=-0.15,f=-3) USER MOD Single : A 73 SER OG : rot 33:sc= 0.463 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0627 USER MOD Single : A 80 CYS SG : rot -140:sc= 0.0719 USER MOD Single : A 81 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.5!) USER MOD Single : A 82 THR OG1 : rot 100:sc= 0.403 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 58:sc=-0.00383 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.4 K(o=-0.4,f=-1.8!) USER MOD Single : A 105 MET CE :methyl -114:sc= -2.57! (180deg=-7.29!) USER MOD Single : B 6 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : B 9 CYS SG : rot 90:sc= 0.289 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 17.270 12.781 -6.657 1.00 0.00 N ATOM 163 CA PRO A 14 16.471 12.470 -7.846 1.00 0.00 C ATOM 164 C PRO A 14 15.134 11.826 -7.493 1.00 0.00 C ATOM 165 O PRO A 14 15.030 11.084 -6.516 1.00 0.00 O ATOM 166 CB PRO A 14 17.352 11.484 -8.618 1.00 0.00 C ATOM 167 CG PRO A 14 18.215 10.854 -7.580 1.00 0.00 C ATOM 168 CD PRO A 14 18.456 11.915 -6.542 1.00 0.00 C ATOM 0 HA PRO A 14 16.215 13.366 -8.411 1.00 0.00 H new ATOM 0 HB2 PRO A 14 16.750 10.739 -9.138 1.00 0.00 H new ATOM 0 HB3 PRO A 14 17.950 11.995 -9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 14 17.726 9.984 -7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 14 19.155 10.509 -8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.546 11.487 -5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 14 19.376 12.466 -6.737 1.00 0.00 H new ATOM 176 N ASP A 15 14.114 12.114 -8.294 1.00 0.00 N ATOM 177 CA ASP A 15 12.784 11.562 -8.068 1.00 0.00 C ATOM 178 C ASP A 15 12.717 10.105 -8.515 1.00 0.00 C ATOM 179 O ASP A 15 11.655 9.484 -8.485 1.00 0.00 O ATOM 180 CB ASP A 15 11.733 12.385 -8.813 1.00 0.00 C ATOM 181 CG ASP A 15 11.890 12.300 -10.318 1.00 0.00 C ATOM 182 OD1 ASP A 15 11.949 11.170 -10.846 1.00 0.00 O ATOM 183 OD2 ASP A 15 11.955 13.364 -10.968 1.00 0.00 O ATOM 0 H ASP A 15 14.183 12.727 -9.106 1.00 0.00 H new ATOM 0 HA ASP A 15 12.577 11.605 -6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.739 12.036 -8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.804 13.427 -8.502 1.00 0.00 H new ATOM 188 N ASN A 16 13.859 9.565 -8.930 1.00 0.00 N ATOM 189 CA ASN A 16 13.929 8.181 -9.385 1.00 0.00 C ATOM 190 C ASN A 16 14.959 7.396 -8.580 1.00 0.00 C ATOM 191 O ASN A 16 15.411 6.330 -9.001 1.00 0.00 O ATOM 192 CB ASN A 16 14.281 8.130 -10.873 1.00 0.00 C ATOM 193 CG ASN A 16 13.730 6.892 -11.555 1.00 0.00 C ATOM 194 OD1 ASN A 16 13.998 5.767 -11.134 1.00 0.00 O ATOM 195 ND2 ASN A 16 12.955 7.096 -12.614 1.00 0.00 N ATOM 0 H ASN A 16 14.748 10.065 -8.960 1.00 0.00 H new ATOM 0 HA ASN A 16 12.951 7.724 -9.234 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.889 9.019 -11.367 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.365 8.153 -10.988 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.555 6.302 -13.114 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.760 8.047 -12.928 1.00 0.00 H new ATOM 202 N HIS A 17 15.326 7.928 -7.418 1.00 0.00 N ATOM 203 CA HIS A 17 16.302 7.277 -6.552 1.00 0.00 C ATOM 204 C HIS A 17 15.830 5.882 -6.154 1.00 0.00 C ATOM 205 O HIS A 17 14.677 5.676 -5.773 1.00 0.00 O ATOM 206 CB HIS A 17 16.550 8.120 -5.302 1.00 0.00 C ATOM 207 CG HIS A 17 17.945 8.007 -4.769 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.289 7.165 -3.733 1.00 0.00 N ATOM 209 CD2 HIS A 17 19.087 8.635 -5.137 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.581 7.281 -3.485 1.00 0.00 C ATOM 211 NE2 HIS A 17 20.089 8.166 -4.323 1.00 0.00 N ATOM 0 H HIS A 17 14.962 8.809 -7.055 1.00 0.00 H new ATOM 0 HA HIS A 17 17.235 7.181 -7.107 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.341 9.165 -5.532 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.848 7.818 -4.525 1.00 0.00 H new ATOM 0 HD2 HIS A 17 19.191 9.368 -5.924 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.129 6.743 -2.726 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.067 8.454 -4.360 1.00 0.00 H new ATOM 220 N PRO A 18 16.739 4.900 -6.244 1.00 0.00 N ATOM 221 CA PRO A 18 16.438 3.508 -5.898 1.00 0.00 C ATOM 222 C PRO A 18 16.233 3.314 -4.400 1.00 0.00 C ATOM 223 O PRO A 18 15.642 2.325 -3.965 1.00 0.00 O ATOM 224 CB PRO A 18 17.679 2.748 -6.371 1.00 0.00 C ATOM 225 CG PRO A 18 18.774 3.758 -6.346 1.00 0.00 C ATOM 226 CD PRO A 18 18.131 5.073 -6.691 1.00 0.00 C ATOM 0 HA PRO A 18 15.511 3.166 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.902 1.906 -5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.537 2.343 -7.373 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.245 3.799 -5.364 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.555 3.505 -7.063 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.617 5.904 -6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.187 5.280 -7.760 1.00 0.00 H new ATOM 234 N THR A 19 16.726 4.266 -3.612 1.00 0.00 N ATOM 235 CA THR A 19 16.598 4.199 -2.162 1.00 0.00 C ATOM 236 C THR A 19 15.692 5.308 -1.638 1.00 0.00 C ATOM 237 O THR A 19 15.197 5.241 -0.513 1.00 0.00 O ATOM 238 CB THR A 19 17.971 4.305 -1.471 1.00 0.00 C ATOM 239 OG1 THR A 19 18.463 5.646 -1.561 1.00 0.00 O ATOM 240 CG2 THR A 19 18.970 3.349 -2.105 1.00 0.00 C ATOM 0 H THR A 19 17.217 5.092 -3.954 1.00 0.00 H new ATOM 0 HA THR A 19 16.155 3.231 -1.929 1.00 0.00 H new ATOM 0 HB THR A 19 17.847 4.034 -0.422 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.967 6.131 -2.254 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.932 3.441 -1.601 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.606 2.326 -2.008 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.088 3.594 -3.161 1.00 0.00 H new ATOM 248 N LYS A 20 15.479 6.329 -2.462 1.00 0.00 N ATOM 249 CA LYS A 20 14.630 7.453 -2.084 1.00 0.00 C ATOM 250 C LYS A 20 13.466 7.608 -3.057 1.00 0.00 C ATOM 251 O LYS A 20 13.658 7.615 -4.273 1.00 0.00 O ATOM 252 CB LYS A 20 15.449 8.745 -2.041 1.00 0.00 C ATOM 253 CG LYS A 20 16.060 9.034 -0.681 1.00 0.00 C ATOM 254 CD LYS A 20 17.428 8.387 -0.536 1.00 0.00 C ATOM 255 CE LYS A 20 18.315 9.168 0.422 1.00 0.00 C ATOM 256 NZ LYS A 20 17.833 9.070 1.828 1.00 0.00 N ATOM 0 H LYS A 20 15.883 6.401 -3.396 1.00 0.00 H new ATOM 0 HA LYS A 20 14.226 7.253 -1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.246 8.685 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.810 9.580 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.149 10.111 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.397 8.666 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.312 7.365 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.909 8.327 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.336 8.791 0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.343 10.215 0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.145 9.907 2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.794 9.021 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.223 8.213 2.270 1.00 0.00 H new ATOM 270 N PHE A 21 12.260 7.734 -2.514 1.00 0.00 N ATOM 271 CA PHE A 21 11.065 7.889 -3.335 1.00 0.00 C ATOM 272 C PHE A 21 10.193 9.029 -2.817 1.00 0.00 C ATOM 273 O PHE A 21 9.560 8.914 -1.767 1.00 0.00 O ATOM 274 CB PHE A 21 10.262 6.587 -3.357 1.00 0.00 C ATOM 275 CG PHE A 21 11.024 5.422 -3.919 1.00 0.00 C ATOM 276 CD1 PHE A 21 11.022 5.168 -5.281 1.00 0.00 C ATOM 277 CD2 PHE A 21 11.743 4.580 -3.086 1.00 0.00 C ATOM 278 CE1 PHE A 21 11.722 4.096 -5.801 1.00 0.00 C ATOM 279 CE2 PHE A 21 12.446 3.507 -3.600 1.00 0.00 C ATOM 280 CZ PHE A 21 12.436 3.265 -4.960 1.00 0.00 C ATOM 0 H PHE A 21 12.084 7.732 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 21 11.381 8.129 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.945 6.348 -2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.357 6.737 -3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.467 5.815 -5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.754 4.765 -2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.711 3.908 -6.864 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.002 2.859 -2.939 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.985 2.428 -5.365 1.00 0.00 H new ATOM 290 N LYS A 22 10.165 10.130 -3.560 1.00 0.00 N ATOM 291 CA LYS A 22 9.372 11.292 -3.178 1.00 0.00 C ATOM 292 C LYS A 22 7.883 10.960 -3.183 1.00 0.00 C ATOM 293 O LYS A 22 7.271 10.821 -4.242 1.00 0.00 O ATOM 294 CB LYS A 22 9.648 12.459 -4.128 1.00 0.00 C ATOM 295 CG LYS A 22 10.880 13.267 -3.758 1.00 0.00 C ATOM 296 CD LYS A 22 11.537 13.876 -4.985 1.00 0.00 C ATOM 297 CE LYS A 22 12.972 14.291 -4.700 1.00 0.00 C ATOM 298 NZ LYS A 22 13.436 15.357 -5.631 1.00 0.00 N ATOM 0 H LYS A 22 10.683 10.242 -4.431 1.00 0.00 H new ATOM 0 HA LYS A 22 9.659 11.580 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.768 12.072 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.781 13.119 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.601 14.059 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.595 12.626 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.521 13.156 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.964 14.744 -5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.050 14.647 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.625 13.423 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.418 15.612 -5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.386 15.009 -6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.828 16.195 -5.530 1.00 0.00 H new ATOM 312 N VAL A 23 7.305 10.836 -1.992 1.00 0.00 N ATOM 313 CA VAL A 23 5.887 10.522 -1.860 1.00 0.00 C ATOM 314 C VAL A 23 5.091 11.750 -1.431 1.00 0.00 C ATOM 315 O VAL A 23 5.654 12.821 -1.202 1.00 0.00 O ATOM 316 CB VAL A 23 5.655 9.392 -0.841 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.346 8.114 -1.293 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.140 9.810 0.539 1.00 0.00 C ATOM 0 H VAL A 23 7.797 10.948 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 23 5.543 10.193 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 23 4.584 9.196 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.171 7.327 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.946 7.806 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.417 8.292 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.968 8.999 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.206 10.035 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.594 10.696 0.863 1.00 0.00 H new ATOM 328 N THR A 24 3.776 11.587 -1.323 1.00 0.00 N ATOM 329 CA THR A 24 2.901 12.682 -0.922 1.00 0.00 C ATOM 330 C THR A 24 1.712 12.169 -0.118 1.00 0.00 C ATOM 331 O THR A 24 0.809 11.536 -0.663 1.00 0.00 O ATOM 332 CB THR A 24 2.381 13.462 -2.145 1.00 0.00 C ATOM 333 OG1 THR A 24 3.472 14.099 -2.819 1.00 0.00 O ATOM 334 CG2 THR A 24 1.359 14.507 -1.725 1.00 0.00 C ATOM 0 H THR A 24 3.294 10.707 -1.508 1.00 0.00 H new ATOM 0 HA THR A 24 3.496 13.351 -0.300 1.00 0.00 H new ATOM 0 HB THR A 24 1.899 12.756 -2.821 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.134 14.591 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.006 15.045 -2.605 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.516 14.017 -1.237 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.821 15.209 -1.031 1.00 0.00 H new ATOM 342 N ASN A 25 1.718 12.448 1.181 1.00 0.00 N ATOM 343 CA ASN A 25 0.638 12.014 2.061 1.00 0.00 C ATOM 344 C ASN A 25 -0.713 12.494 1.541 1.00 0.00 C ATOM 345 O ASN A 25 -0.885 13.670 1.221 1.00 0.00 O ATOM 346 CB ASN A 25 0.867 12.538 3.480 1.00 0.00 C ATOM 347 CG ASN A 25 -0.309 12.259 4.396 1.00 0.00 C ATOM 348 OD1 ASN A 25 -1.032 13.173 4.793 1.00 0.00 O ATOM 349 ND2 ASN A 25 -0.504 10.990 4.737 1.00 0.00 N ATOM 0 H ASN A 25 2.458 12.972 1.648 1.00 0.00 H new ATOM 0 HA ASN A 25 0.633 10.924 2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.764 12.077 3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.048 13.612 3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.279 10.740 5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.121 10.265 4.384 1.00 0.00 H new ATOM 356 N VAL A 26 -1.671 11.576 1.461 1.00 0.00 N ATOM 357 CA VAL A 26 -3.008 11.905 0.982 1.00 0.00 C ATOM 358 C VAL A 26 -4.077 11.377 1.932 1.00 0.00 C ATOM 359 O VAL A 26 -3.774 10.668 2.892 1.00 0.00 O ATOM 360 CB VAL A 26 -3.257 11.331 -0.425 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.231 11.869 -1.411 1.00 0.00 C ATOM 362 CG2 VAL A 26 -3.232 9.811 -0.392 1.00 0.00 C ATOM 0 H VAL A 26 -1.546 10.598 1.722 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.070 12.992 0.938 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.245 11.648 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.423 11.452 -2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.304 12.956 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.230 11.585 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.410 9.422 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.259 9.471 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.010 9.449 0.281 1.00 0.00 H new ATOM 372 N ASP A 27 -5.329 11.725 1.656 1.00 0.00 N ATOM 373 CA ASP A 27 -6.446 11.284 2.485 1.00 0.00 C ATOM 374 C ASP A 27 -7.304 10.265 1.742 1.00 0.00 C ATOM 375 O ASP A 27 -6.976 9.855 0.629 1.00 0.00 O ATOM 376 CB ASP A 27 -7.300 12.481 2.905 1.00 0.00 C ATOM 377 CG ASP A 27 -8.271 12.907 1.821 1.00 0.00 C ATOM 378 OD1 ASP A 27 -7.892 12.858 0.633 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.410 13.291 2.162 1.00 0.00 O ATOM 0 H ASP A 27 -5.596 12.311 0.865 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.040 10.807 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.856 12.228 3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.649 13.318 3.155 1.00 0.00 H new ATOM 384 N ASP A 28 -8.405 9.860 2.366 1.00 0.00 N ATOM 385 CA ASP A 28 -9.311 8.888 1.765 1.00 0.00 C ATOM 386 C ASP A 28 -9.615 9.254 0.315 1.00 0.00 C ATOM 387 O ASP A 28 -9.475 8.427 -0.585 1.00 0.00 O ATOM 388 CB ASP A 28 -10.611 8.807 2.567 1.00 0.00 C ATOM 389 CG ASP A 28 -10.957 10.120 3.242 1.00 0.00 C ATOM 390 OD1 ASP A 28 -11.007 11.152 2.542 1.00 0.00 O ATOM 391 OD2 ASP A 28 -11.178 10.115 4.472 1.00 0.00 O ATOM 0 H ASP A 28 -8.692 10.190 3.288 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.823 7.914 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.426 8.517 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.521 8.026 3.322 1.00 0.00 H new ATOM 396 N GLU A 29 -10.033 10.497 0.099 1.00 0.00 N ATOM 397 CA GLU A 29 -10.358 10.970 -1.241 1.00 0.00 C ATOM 398 C GLU A 29 -9.147 10.868 -2.164 1.00 0.00 C ATOM 399 O GLU A 29 -9.281 10.582 -3.353 1.00 0.00 O ATOM 400 CB GLU A 29 -10.852 12.418 -1.189 1.00 0.00 C ATOM 401 CG GLU A 29 -11.824 12.688 -0.053 1.00 0.00 C ATOM 402 CD GLU A 29 -12.813 13.790 -0.382 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.812 13.504 -1.073 1.00 0.00 O ATOM 404 OE2 GLU A 29 -12.587 14.939 0.054 1.00 0.00 O ATOM 0 H GLU A 29 -10.154 11.194 0.834 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.151 10.336 -1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.994 13.083 -1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.335 12.663 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.369 11.773 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.265 12.962 0.842 1.00 0.00 H new ATOM 411 N GLY A 30 -7.963 11.105 -1.606 1.00 0.00 N ATOM 412 CA GLY A 30 -6.745 11.035 -2.391 1.00 0.00 C ATOM 413 C GLY A 30 -6.068 12.384 -2.532 1.00 0.00 C ATOM 414 O GLY A 30 -5.023 12.498 -3.172 1.00 0.00 O ATOM 0 H GLY A 30 -7.826 11.344 -0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.055 10.333 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.977 10.643 -3.381 1.00 0.00 H new ATOM 418 N VAL A 31 -6.665 13.409 -1.933 1.00 0.00 N ATOM 419 CA VAL A 31 -6.113 14.757 -1.994 1.00 0.00 C ATOM 420 C VAL A 31 -4.695 14.797 -1.436 1.00 0.00 C ATOM 421 O VAL A 31 -4.257 13.865 -0.763 1.00 0.00 O ATOM 422 CB VAL A 31 -6.988 15.758 -1.215 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.435 15.676 -1.677 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.882 15.504 0.281 1.00 0.00 C ATOM 0 H VAL A 31 -7.531 13.332 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.094 15.043 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.625 16.766 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.037 16.390 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.491 15.910 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.815 14.668 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.506 16.219 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.219 14.491 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.845 15.619 0.597 1.00 0.00 H new ATOM 434 N GLU A 32 -3.983 15.883 -1.721 1.00 0.00 N ATOM 435 CA GLU A 32 -2.613 16.043 -1.247 1.00 0.00 C ATOM 436 C GLU A 32 -2.571 16.896 0.018 1.00 0.00 C ATOM 437 O GLU A 32 -2.731 18.117 -0.037 1.00 0.00 O ATOM 438 CB GLU A 32 -1.745 16.680 -2.334 1.00 0.00 C ATOM 439 CG GLU A 32 -1.473 15.760 -3.512 1.00 0.00 C ATOM 440 CD GLU A 32 -0.644 16.426 -4.593 1.00 0.00 C ATOM 441 OE1 GLU A 32 -1.231 17.130 -5.442 1.00 0.00 O ATOM 442 OE2 GLU A 32 0.591 16.244 -4.590 1.00 0.00 O ATOM 0 H GLU A 32 -4.332 16.664 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.219 15.054 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.235 17.584 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.795 16.986 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.955 14.868 -3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.421 15.431 -3.937 1.00 0.00 H new ATOM 449 N LEU A 33 -2.357 16.246 1.156 1.00 0.00 N ATOM 450 CA LEU A 33 -2.294 16.944 2.436 1.00 0.00 C ATOM 451 C LEU A 33 -0.883 17.456 2.708 1.00 0.00 C ATOM 452 O LEU A 33 -0.675 18.649 2.922 1.00 0.00 O ATOM 453 CB LEU A 33 -2.740 16.016 3.567 1.00 0.00 C ATOM 454 CG LEU A 33 -4.032 15.235 3.325 1.00 0.00 C ATOM 455 CD1 LEU A 33 -4.305 14.283 4.480 1.00 0.00 C ATOM 456 CD2 LEU A 33 -5.202 16.187 3.129 1.00 0.00 C ATOM 0 H LEU A 33 -2.224 15.237 1.219 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.968 17.800 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.939 15.303 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.863 16.612 4.471 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.913 14.646 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.228 13.736 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.479 13.579 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.404 14.852 5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.113 15.613 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.323 16.803 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.010 16.828 2.268 1.00 0.00 H new ATOM 468 N GLY A 34 0.084 16.544 2.698 1.00 0.00 N ATOM 469 CA GLY A 34 1.463 16.922 2.943 1.00 0.00 C ATOM 470 C GLY A 34 2.448 16.034 2.209 1.00 0.00 C ATOM 471 O GLY A 34 2.228 14.830 2.075 1.00 0.00 O ATOM 0 H GLY A 34 -0.063 15.550 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.613 17.957 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.664 16.875 4.013 1.00 0.00 H new ATOM 475 N SER A 35 3.537 16.628 1.731 1.00 0.00 N ATOM 476 CA SER A 35 4.556 15.883 1.002 1.00 0.00 C ATOM 477 C SER A 35 5.590 15.298 1.959 1.00 0.00 C ATOM 478 O SER A 35 5.797 15.812 3.058 1.00 0.00 O ATOM 479 CB SER A 35 5.246 16.788 -0.021 1.00 0.00 C ATOM 480 OG SER A 35 5.661 16.050 -1.157 1.00 0.00 O ATOM 0 H SER A 35 3.736 17.623 1.836 1.00 0.00 H new ATOM 0 HA SER A 35 4.066 15.062 0.478 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.564 17.581 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.109 17.270 0.439 1.00 0.00 H new ATOM 0 HG SER A 35 5.586 15.091 -0.969 1.00 0.00 H new ATOM 486 N GLY A 36 6.238 14.218 1.533 1.00 0.00 N ATOM 487 CA GLY A 36 7.243 13.579 2.363 1.00 0.00 C ATOM 488 C GLY A 36 8.175 12.690 1.564 1.00 0.00 C ATOM 489 O GLY A 36 7.944 12.439 0.381 1.00 0.00 O ATOM 0 H GLY A 36 6.085 13.774 0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.826 14.344 2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.750 12.985 3.133 1.00 0.00 H new ATOM 493 N VAL A 37 9.233 12.212 2.211 1.00 0.00 N ATOM 494 CA VAL A 37 10.204 11.345 1.554 1.00 0.00 C ATOM 495 C VAL A 37 10.282 9.987 2.240 1.00 0.00 C ATOM 496 O VAL A 37 10.490 9.902 3.450 1.00 0.00 O ATOM 497 CB VAL A 37 11.607 11.983 1.540 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.571 11.134 0.726 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.542 13.402 0.996 1.00 0.00 C ATOM 0 H VAL A 37 9.440 12.411 3.190 1.00 0.00 H new ATOM 0 HA VAL A 37 9.864 11.210 0.527 1.00 0.00 H new ATOM 0 HB VAL A 37 11.977 12.029 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.556 11.600 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.640 10.139 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.209 11.054 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.542 13.837 0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.151 13.384 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.886 14.003 1.626 1.00 0.00 H new ATOM 509 N MET A 38 10.114 8.925 1.459 1.00 0.00 N ATOM 510 CA MET A 38 10.167 7.568 1.993 1.00 0.00 C ATOM 511 C MET A 38 11.423 6.846 1.518 1.00 0.00 C ATOM 512 O MET A 38 11.681 6.756 0.318 1.00 0.00 O ATOM 513 CB MET A 38 8.923 6.783 1.572 1.00 0.00 C ATOM 514 CG MET A 38 8.903 5.354 2.088 1.00 0.00 C ATOM 515 SD MET A 38 7.310 4.547 1.839 1.00 0.00 S ATOM 516 CE MET A 38 6.229 5.641 2.757 1.00 0.00 C ATOM 0 H MET A 38 9.940 8.977 0.455 1.00 0.00 H new ATOM 0 HA MET A 38 10.196 7.633 3.081 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.036 7.303 1.933 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.864 6.769 0.484 1.00 0.00 H new ATOM 0 HG2 MET A 38 9.680 4.779 1.584 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.144 5.352 3.151 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.265 5.156 2.910 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.678 5.869 3.724 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.085 6.565 2.197 1.00 0.00 H new ATOM 526 N GLU A 39 12.201 6.334 2.467 1.00 0.00 N ATOM 527 CA GLU A 39 13.431 5.621 2.143 1.00 0.00 C ATOM 528 C GLU A 39 13.328 4.151 2.540 1.00 0.00 C ATOM 529 O GLU A 39 12.843 3.821 3.623 1.00 0.00 O ATOM 530 CB GLU A 39 14.623 6.269 2.849 1.00 0.00 C ATOM 531 CG GLU A 39 15.961 5.653 2.476 1.00 0.00 C ATOM 532 CD GLU A 39 17.087 6.109 3.383 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.805 6.469 4.545 1.00 0.00 O ATOM 534 OE2 GLU A 39 18.251 6.105 2.931 1.00 0.00 O ATOM 0 H GLU A 39 12.001 6.400 3.465 1.00 0.00 H new ATOM 0 HA GLU A 39 13.581 5.679 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.643 7.332 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.484 6.188 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.881 4.567 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.202 5.913 1.445 1.00 0.00 H new ATOM 541 N LEU A 40 13.788 3.272 1.656 1.00 0.00 N ATOM 542 CA LEU A 40 13.748 1.837 1.913 1.00 0.00 C ATOM 543 C LEU A 40 15.118 1.322 2.342 1.00 0.00 C ATOM 544 O LEU A 40 15.982 1.051 1.507 1.00 0.00 O ATOM 545 CB LEU A 40 13.277 1.088 0.665 1.00 0.00 C ATOM 546 CG LEU A 40 11.770 0.863 0.546 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.064 2.157 0.175 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.472 -0.222 -0.480 1.00 0.00 C ATOM 0 H LEU A 40 14.193 3.528 0.755 1.00 0.00 H new ATOM 0 HA LEU A 40 13.043 1.658 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.612 1.640 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.772 0.117 0.640 1.00 0.00 H new ATOM 0 HG LEU A 40 11.394 0.533 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.992 1.977 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.249 2.906 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.444 2.517 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.394 -0.369 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.863 0.079 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.946 -1.154 -0.172 1.00 0.00 H new ATOM 560 N THR A 41 15.311 1.187 3.651 1.00 0.00 N ATOM 561 CA THR A 41 16.575 0.704 4.191 1.00 0.00 C ATOM 562 C THR A 41 16.382 -0.597 4.963 1.00 0.00 C ATOM 563 O THR A 41 15.487 -0.704 5.801 1.00 0.00 O ATOM 564 CB THR A 41 17.224 1.747 5.120 1.00 0.00 C ATOM 565 OG1 THR A 41 16.298 2.138 6.141 1.00 0.00 O ATOM 566 CG2 THR A 41 17.666 2.972 4.333 1.00 0.00 C ATOM 0 H THR A 41 14.607 1.406 4.356 1.00 0.00 H new ATOM 0 HA THR A 41 17.234 0.525 3.341 1.00 0.00 H new ATOM 0 HB THR A 41 18.102 1.294 5.581 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.471 1.621 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 41 18.121 3.695 5.010 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.393 2.676 3.576 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.801 3.424 3.848 1.00 0.00 H new ATOM 574 N GLN A 42 17.226 -1.582 4.674 1.00 0.00 N ATOM 575 CA GLN A 42 17.147 -2.875 5.342 1.00 0.00 C ATOM 576 C GLN A 42 16.659 -2.717 6.779 1.00 0.00 C ATOM 577 O GLN A 42 15.909 -3.552 7.285 1.00 0.00 O ATOM 578 CB GLN A 42 18.512 -3.565 5.328 1.00 0.00 C ATOM 579 CG GLN A 42 18.942 -4.036 3.948 1.00 0.00 C ATOM 580 CD GLN A 42 20.349 -4.600 3.936 1.00 0.00 C ATOM 581 OE1 GLN A 42 21.269 -4.017 4.509 1.00 0.00 O ATOM 582 NE2 GLN A 42 20.523 -5.742 3.280 1.00 0.00 N ATOM 0 H GLN A 42 17.972 -1.509 3.982 1.00 0.00 H new ATOM 0 HA GLN A 42 16.430 -3.492 4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.262 -2.876 5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.484 -4.421 6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.246 -4.797 3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.883 -3.202 3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 42 19.732 -6.191 2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 42 21.448 -6.170 3.237 1.00 0.00 H new ATOM 591 N SER A 43 17.090 -1.642 7.430 1.00 0.00 N ATOM 592 CA SER A 43 16.700 -1.377 8.810 1.00 0.00 C ATOM 593 C SER A 43 15.188 -1.208 8.925 1.00 0.00 C ATOM 594 O SER A 43 14.516 -1.988 9.598 1.00 0.00 O ATOM 595 CB SER A 43 17.406 -0.123 9.330 1.00 0.00 C ATOM 596 OG SER A 43 17.294 -0.021 10.739 1.00 0.00 O ATOM 0 H SER A 43 17.709 -0.940 7.024 1.00 0.00 H new ATOM 0 HA SER A 43 16.999 -2.232 9.416 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.458 -0.151 9.047 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.973 0.762 8.863 1.00 0.00 H new ATOM 0 HG SER A 43 17.755 0.788 11.046 1.00 0.00 H new ATOM 602 N GLU A 44 14.662 -0.183 8.262 1.00 0.00 N ATOM 603 CA GLU A 44 13.230 0.090 8.290 1.00 0.00 C ATOM 604 C GLU A 44 12.869 1.208 7.315 1.00 0.00 C ATOM 605 O GLU A 44 13.730 1.728 6.604 1.00 0.00 O ATOM 606 CB GLU A 44 12.788 0.469 9.704 1.00 0.00 C ATOM 607 CG GLU A 44 13.638 1.558 10.336 1.00 0.00 C ATOM 608 CD GLU A 44 13.657 2.834 9.516 1.00 0.00 C ATOM 609 OE1 GLU A 44 12.585 3.457 9.362 1.00 0.00 O ATOM 610 OE2 GLU A 44 14.743 3.208 9.028 1.00 0.00 O ATOM 0 H GLU A 44 15.206 0.471 7.699 1.00 0.00 H new ATOM 0 HA GLU A 44 12.708 -0.817 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.750 0.801 9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.821 -0.418 10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.258 1.777 11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.658 1.193 10.457 1.00 0.00 H new ATOM 617 N LEU A 45 11.592 1.571 7.288 1.00 0.00 N ATOM 618 CA LEU A 45 11.116 2.627 6.401 1.00 0.00 C ATOM 619 C LEU A 45 11.215 3.991 7.075 1.00 0.00 C ATOM 620 O LEU A 45 10.635 4.214 8.138 1.00 0.00 O ATOM 621 CB LEU A 45 9.669 2.356 5.984 1.00 0.00 C ATOM 622 CG LEU A 45 9.481 1.535 4.707 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.050 1.031 4.603 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.849 2.360 3.483 1.00 0.00 C ATOM 0 H LEU A 45 10.867 1.150 7.870 1.00 0.00 H new ATOM 0 HA LEU A 45 11.749 2.634 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.167 1.839 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.164 3.313 5.854 1.00 0.00 H new ATOM 0 HG LEU A 45 10.146 0.672 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.935 0.449 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.822 0.403 5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.366 1.879 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.709 1.760 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.211 3.242 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.892 2.670 3.553 1.00 0.00 H new ATOM 636 N VAL A 46 11.954 4.902 6.450 1.00 0.00 N ATOM 637 CA VAL A 46 12.127 6.246 6.988 1.00 0.00 C ATOM 638 C VAL A 46 11.291 7.260 6.214 1.00 0.00 C ATOM 639 O VAL A 46 11.441 7.407 5.000 1.00 0.00 O ATOM 640 CB VAL A 46 13.605 6.680 6.950 1.00 0.00 C ATOM 641 CG1 VAL A 46 13.771 8.063 7.560 1.00 0.00 C ATOM 642 CG2 VAL A 46 14.477 5.662 7.669 1.00 0.00 C ATOM 0 H VAL A 46 12.443 4.734 5.571 1.00 0.00 H new ATOM 0 HA VAL A 46 11.791 6.218 8.024 1.00 0.00 H new ATOM 0 HB VAL A 46 13.926 6.728 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.821 8.353 7.524 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.177 8.783 6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.434 8.046 8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.518 5.984 7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 46 14.159 5.580 8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 46 14.380 4.692 7.182 1.00 0.00 H new ATOM 652 N LEU A 47 10.411 7.957 6.924 1.00 0.00 N ATOM 653 CA LEU A 47 9.550 8.959 6.304 1.00 0.00 C ATOM 654 C LEU A 47 9.926 10.362 6.768 1.00 0.00 C ATOM 655 O LEU A 47 9.946 10.647 7.966 1.00 0.00 O ATOM 656 CB LEU A 47 8.084 8.675 6.635 1.00 0.00 C ATOM 657 CG LEU A 47 7.058 9.164 5.612 1.00 0.00 C ATOM 658 CD1 LEU A 47 6.711 10.624 5.861 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.583 8.972 4.197 1.00 0.00 C ATOM 0 H LEU A 47 10.275 7.847 7.929 1.00 0.00 H new ATOM 0 HA LEU A 47 9.689 8.904 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.962 7.599 6.756 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.854 9.133 7.597 1.00 0.00 H new ATOM 0 HG LEU A 47 6.150 8.572 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.980 10.955 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.292 10.733 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.612 11.232 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.840 9.325 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.506 9.539 4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.780 7.914 4.022 1.00 0.00 H new ATOM 671 N HIS A 48 10.222 11.237 5.812 1.00 0.00 N ATOM 672 CA HIS A 48 10.595 12.613 6.123 1.00 0.00 C ATOM 673 C HIS A 48 9.492 13.581 5.707 1.00 0.00 C ATOM 674 O HIS A 48 8.891 13.435 4.642 1.00 0.00 O ATOM 675 CB HIS A 48 11.903 12.980 5.422 1.00 0.00 C ATOM 676 CG HIS A 48 13.064 12.129 5.838 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.061 12.576 6.679 1.00 0.00 N ATOM 678 CD2 HIS A 48 13.383 10.852 5.525 1.00 0.00 C ATOM 679 CE1 HIS A 48 14.944 11.611 6.863 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.555 10.553 6.174 1.00 0.00 N ATOM 0 H HIS A 48 10.211 11.018 4.816 1.00 0.00 H new ATOM 0 HA HIS A 48 10.736 12.691 7.201 1.00 0.00 H new ATOM 0 HB2 HIS A 48 11.766 12.891 4.344 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.136 14.025 5.629 1.00 0.00 H new ATOM 0 HD1 HIS A 48 14.109 13.506 7.094 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.820 10.190 4.883 1.00 0.00 H new ATOM 0 HE1 HIS A 48 15.833 11.676 7.473 1.00 0.00 H new ATOM 689 N LEU A 49 9.230 14.571 6.555 1.00 0.00 N ATOM 690 CA LEU A 49 8.198 15.564 6.276 1.00 0.00 C ATOM 691 C LEU A 49 8.708 16.973 6.561 1.00 0.00 C ATOM 692 O LEU A 49 9.874 17.164 6.909 1.00 0.00 O ATOM 693 CB LEU A 49 6.950 15.281 7.114 1.00 0.00 C ATOM 694 CG LEU A 49 6.564 13.810 7.267 1.00 0.00 C ATOM 695 CD1 LEU A 49 7.366 13.160 8.383 1.00 0.00 C ATOM 696 CD2 LEU A 49 5.071 13.675 7.532 1.00 0.00 C ATOM 0 H LEU A 49 9.718 14.707 7.440 1.00 0.00 H new ATOM 0 HA LEU A 49 7.940 15.498 5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.101 15.701 8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.109 15.812 6.668 1.00 0.00 H new ATOM 0 HG LEU A 49 6.796 13.295 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.077 12.113 8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.429 13.224 8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.167 13.676 9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.814 12.621 7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.815 14.205 8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.513 14.102 6.698 1.00 0.00 H new ATOM 789 N ALA A 54 10.731 12.977 11.412 1.00 0.00 N ATOM 790 CA ALA A 54 11.028 11.745 10.691 1.00 0.00 C ATOM 791 C ALA A 54 10.299 10.557 11.309 1.00 0.00 C ATOM 792 O ALA A 54 10.582 10.162 12.441 1.00 0.00 O ATOM 793 CB ALA A 54 12.529 11.494 10.672 1.00 0.00 C ATOM 0 HA ALA A 54 10.676 11.860 9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.737 10.571 10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.031 12.326 10.177 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.896 11.405 11.695 1.00 0.00 H new ATOM 799 N VAL A 55 9.357 9.992 10.561 1.00 0.00 N ATOM 800 CA VAL A 55 8.587 8.849 11.036 1.00 0.00 C ATOM 801 C VAL A 55 9.145 7.542 10.483 1.00 0.00 C ATOM 802 O VAL A 55 9.273 7.373 9.270 1.00 0.00 O ATOM 803 CB VAL A 55 7.103 8.968 10.640 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.317 7.768 11.146 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.513 10.265 11.172 1.00 0.00 C ATOM 0 H VAL A 55 9.109 10.307 9.623 1.00 0.00 H new ATOM 0 HA VAL A 55 8.667 8.844 12.123 1.00 0.00 H new ATOM 0 HB VAL A 55 7.035 8.983 9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.271 7.870 10.857 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.726 6.856 10.712 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.390 7.717 12.232 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.464 10.333 10.883 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.592 10.282 12.259 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.060 11.111 10.756 1.00 0.00 H new ATOM 815 N ARG A 56 9.477 6.620 11.381 1.00 0.00 N ATOM 816 CA ARG A 56 10.022 5.328 10.984 1.00 0.00 C ATOM 817 C ARG A 56 8.981 4.225 11.145 1.00 0.00 C ATOM 818 O ARG A 56 8.088 4.319 11.988 1.00 0.00 O ATOM 819 CB ARG A 56 11.264 4.997 11.814 1.00 0.00 C ATOM 820 CG ARG A 56 12.523 5.699 11.333 1.00 0.00 C ATOM 821 CD ARG A 56 12.683 7.065 11.982 1.00 0.00 C ATOM 822 NE ARG A 56 12.807 6.969 13.434 1.00 0.00 N ATOM 823 CZ ARG A 56 13.343 7.921 14.190 1.00 0.00 C ATOM 824 NH1 ARG A 56 13.803 9.033 13.634 1.00 0.00 N ATOM 825 NH2 ARG A 56 13.420 7.760 15.505 1.00 0.00 N ATOM 0 H ARG A 56 9.378 6.744 12.389 1.00 0.00 H new ATOM 0 HA ARG A 56 10.302 5.389 9.932 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.080 5.271 12.853 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.428 3.920 11.793 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.393 5.083 11.560 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.486 5.812 10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.565 7.559 11.575 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.824 7.688 11.732 1.00 0.00 H new ATOM 0 HE ARG A 56 12.463 6.125 13.893 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.746 9.159 12.623 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.214 9.762 14.217 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.068 6.905 15.936 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.832 8.491 16.085 1.00 0.00 H new ATOM 839 N TRP A 57 9.101 3.181 10.333 1.00 0.00 N ATOM 840 CA TRP A 57 8.170 2.060 10.386 1.00 0.00 C ATOM 841 C TRP A 57 8.906 0.733 10.243 1.00 0.00 C ATOM 842 O TRP A 57 9.632 0.499 9.276 1.00 0.00 O ATOM 843 CB TRP A 57 7.116 2.194 9.286 1.00 0.00 C ATOM 844 CG TRP A 57 6.009 3.142 9.636 1.00 0.00 C ATOM 845 CD1 TRP A 57 5.078 2.986 10.623 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.716 4.390 8.999 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.224 4.062 10.638 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.595 4.938 9.653 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.293 5.100 7.943 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.042 6.161 9.282 1.00 0.00 C ATOM 851 CZ3 TRP A 57 5.743 6.313 7.575 1.00 0.00 C ATOM 852 CH2 TRP A 57 4.627 6.834 8.244 1.00 0.00 C ATOM 0 H TRP A 57 9.834 3.087 9.630 1.00 0.00 H new ATOM 0 HA TRP A 57 7.676 2.076 11.357 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.599 2.533 8.370 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.691 1.212 9.078 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.021 2.141 11.293 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.441 4.188 11.279 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.154 4.707 7.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.182 6.564 9.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.180 6.869 6.759 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.221 7.785 7.934 1.00 0.00 H new ATOM 863 N PRO A 58 8.718 -0.159 11.226 1.00 0.00 N ATOM 864 CA PRO A 58 9.356 -1.479 11.231 1.00 0.00 C ATOM 865 C PRO A 58 8.791 -2.400 10.155 1.00 0.00 C ATOM 866 O PRO A 58 7.587 -2.406 9.899 1.00 0.00 O ATOM 867 CB PRO A 58 9.033 -2.024 12.625 1.00 0.00 C ATOM 868 CG PRO A 58 7.785 -1.317 13.028 1.00 0.00 C ATOM 869 CD PRO A 58 7.867 0.051 12.409 1.00 0.00 C ATOM 0 HA PRO A 58 10.423 -1.416 11.020 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.887 -3.104 12.604 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.844 -1.826 13.325 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.903 -1.852 12.677 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.707 -1.250 14.113 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.882 0.427 12.133 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.304 0.777 13.095 1.00 0.00 H new ATOM 877 N TYR A 59 9.668 -3.176 9.528 1.00 0.00 N ATOM 878 CA TYR A 59 9.257 -4.100 8.478 1.00 0.00 C ATOM 879 C TYR A 59 8.539 -5.311 9.067 1.00 0.00 C ATOM 880 O TYR A 59 7.662 -5.898 8.432 1.00 0.00 O ATOM 881 CB TYR A 59 10.471 -4.558 7.668 1.00 0.00 C ATOM 882 CG TYR A 59 10.976 -3.517 6.694 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.094 -2.781 5.913 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.337 -3.269 6.556 1.00 0.00 C ATOM 885 CE1 TYR A 59 10.552 -1.830 5.022 1.00 0.00 C ATOM 886 CE2 TYR A 59 12.803 -2.319 5.668 1.00 0.00 C ATOM 887 CZ TYR A 59 11.907 -1.603 4.903 1.00 0.00 C ATOM 888 OH TYR A 59 12.367 -0.655 4.017 1.00 0.00 O ATOM 0 H TYR A 59 10.668 -3.183 9.729 1.00 0.00 H new ATOM 0 HA TYR A 59 8.565 -3.575 7.819 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.276 -4.823 8.354 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.210 -5.462 7.118 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.032 -2.955 6.004 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.042 -3.829 7.153 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.853 -1.267 4.422 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.864 -2.138 5.574 1.00 0.00 H new ATOM 0 HH TYR A 59 13.346 -0.618 4.056 1.00 0.00 H new ATOM 898 N LEU A 60 8.917 -5.678 10.286 1.00 0.00 N ATOM 899 CA LEU A 60 8.310 -6.819 10.964 1.00 0.00 C ATOM 900 C LEU A 60 6.901 -6.482 11.439 1.00 0.00 C ATOM 901 O LEU A 60 5.914 -6.893 10.827 1.00 0.00 O ATOM 902 CB LEU A 60 9.173 -7.249 12.152 1.00 0.00 C ATOM 903 CG LEU A 60 8.446 -7.991 13.275 1.00 0.00 C ATOM 904 CD1 LEU A 60 7.530 -9.061 12.702 1.00 0.00 C ATOM 905 CD2 LEU A 60 9.447 -8.604 14.243 1.00 0.00 C ATOM 0 H LEU A 60 9.641 -5.203 10.826 1.00 0.00 H new ATOM 0 HA LEU A 60 8.246 -7.642 10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.975 -7.888 11.781 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.643 -6.361 12.575 1.00 0.00 H new ATOM 0 HG LEU A 60 7.834 -7.274 13.822 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.021 -9.578 13.516 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.791 -8.596 12.049 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.120 -9.777 12.130 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.913 -9.128 15.036 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.085 -9.308 13.709 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.061 -7.816 14.679 1.00 0.00 H new ATOM 917 N CYS A 61 6.814 -5.733 12.533 1.00 0.00 N ATOM 918 CA CYS A 61 5.524 -5.339 13.090 1.00 0.00 C ATOM 919 C CYS A 61 4.503 -5.102 11.982 1.00 0.00 C ATOM 920 O CYS A 61 3.325 -5.431 12.128 1.00 0.00 O ATOM 921 CB CYS A 61 5.676 -4.077 13.939 1.00 0.00 C ATOM 922 SG CYS A 61 5.922 -4.398 15.702 1.00 0.00 S ATOM 0 H CYS A 61 7.621 -5.386 13.052 1.00 0.00 H new ATOM 0 HA CYS A 61 5.165 -6.152 13.722 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.521 -3.500 13.564 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.787 -3.459 13.814 1.00 0.00 H new ATOM 0 HG CYS A 61 6.453 -3.353 16.263 1.00 0.00 H new ATOM 928 N LEU A 62 4.961 -4.527 10.876 1.00 0.00 N ATOM 929 CA LEU A 62 4.088 -4.243 9.743 1.00 0.00 C ATOM 930 C LEU A 62 3.006 -5.310 9.608 1.00 0.00 C ATOM 931 O LEU A 62 3.293 -6.507 9.650 1.00 0.00 O ATOM 932 CB LEU A 62 4.904 -4.162 8.451 1.00 0.00 C ATOM 933 CG LEU A 62 5.309 -2.758 8.000 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.396 -2.832 6.939 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.100 -1.997 7.477 1.00 0.00 C ATOM 0 H LEU A 62 5.933 -4.248 10.740 1.00 0.00 H new ATOM 0 HA LEU A 62 3.605 -3.282 9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.809 -4.756 8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.328 -4.627 7.651 1.00 0.00 H new ATOM 0 HG LEU A 62 5.707 -2.220 8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.672 -1.824 6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.270 -3.338 7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.026 -3.387 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.407 -1.000 7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.673 -2.532 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.353 -1.913 8.267 1.00 0.00 H new ATOM 947 N ARG A 63 1.763 -4.869 9.444 1.00 0.00 N ATOM 948 CA ARG A 63 0.639 -5.786 9.302 1.00 0.00 C ATOM 949 C ARG A 63 0.395 -6.124 7.834 1.00 0.00 C ATOM 950 O ARG A 63 0.522 -7.277 7.423 1.00 0.00 O ATOM 951 CB ARG A 63 -0.624 -5.177 9.913 1.00 0.00 C ATOM 952 CG ARG A 63 -0.730 -5.376 11.416 1.00 0.00 C ATOM 953 CD ARG A 63 -2.170 -5.611 11.847 1.00 0.00 C ATOM 954 NE ARG A 63 -2.254 -6.178 13.190 1.00 0.00 N ATOM 955 CZ ARG A 63 -2.246 -5.446 14.298 1.00 0.00 C ATOM 956 NH1 ARG A 63 -2.157 -4.126 14.224 1.00 0.00 N ATOM 957 NH2 ARG A 63 -2.326 -6.036 15.485 1.00 0.00 N ATOM 0 H ARG A 63 1.509 -3.882 9.406 1.00 0.00 H new ATOM 0 HA ARG A 63 0.884 -6.706 9.833 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.645 -4.109 9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.498 -5.618 9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.116 -6.225 11.716 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.334 -4.500 11.929 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.716 -4.668 11.817 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.655 -6.283 11.139 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.323 -7.192 13.282 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.094 -3.669 13.314 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.151 -3.567 15.077 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.394 -7.052 15.546 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.320 -5.473 16.336 1.00 0.00 H new ATOM 971 N ARG A 64 0.044 -5.110 7.050 1.00 0.00 N ATOM 972 CA ARG A 64 -0.220 -5.300 5.629 1.00 0.00 C ATOM 973 C ARG A 64 0.427 -4.192 4.803 1.00 0.00 C ATOM 974 O ARG A 64 0.580 -3.064 5.271 1.00 0.00 O ATOM 975 CB ARG A 64 -1.727 -5.331 5.367 1.00 0.00 C ATOM 976 CG ARG A 64 -2.099 -5.084 3.915 1.00 0.00 C ATOM 977 CD ARG A 64 -3.595 -4.868 3.751 1.00 0.00 C ATOM 978 NE ARG A 64 -4.069 -3.719 4.519 1.00 0.00 N ATOM 979 CZ ARG A 64 -4.453 -3.792 5.789 1.00 0.00 C ATOM 980 NH1 ARG A 64 -4.418 -4.952 6.430 1.00 0.00 N ATOM 981 NH2 ARG A 64 -4.872 -2.703 6.420 1.00 0.00 N ATOM 0 H ARG A 64 -0.064 -4.149 7.375 1.00 0.00 H new ATOM 0 HA ARG A 64 0.214 -6.254 5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.120 -6.300 5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.211 -4.579 5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.562 -4.211 3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.784 -5.933 3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.826 -4.720 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.128 -5.763 4.071 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.107 -2.811 4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.096 -5.791 5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.713 -5.005 7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.900 -1.809 5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.167 -2.760 7.395 1.00 0.00 H new ATOM 995 N TYR A 65 0.806 -4.523 3.573 1.00 0.00 N ATOM 996 CA TYR A 65 1.440 -3.557 2.683 1.00 0.00 C ATOM 997 C TYR A 65 1.159 -3.896 1.223 1.00 0.00 C ATOM 998 O TYR A 65 1.690 -4.866 0.685 1.00 0.00 O ATOM 999 CB TYR A 65 2.949 -3.520 2.928 1.00 0.00 C ATOM 1000 CG TYR A 65 3.646 -4.824 2.612 1.00 0.00 C ATOM 1001 CD1 TYR A 65 3.784 -5.813 3.579 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.167 -5.068 1.348 1.00 0.00 C ATOM 1003 CE1 TYR A 65 4.421 -7.005 3.296 1.00 0.00 C ATOM 1004 CE2 TYR A 65 4.804 -6.258 1.055 1.00 0.00 C ATOM 1005 CZ TYR A 65 4.928 -7.224 2.032 1.00 0.00 C ATOM 1006 OH TYR A 65 5.563 -8.410 1.744 1.00 0.00 O ATOM 0 H TYR A 65 0.685 -5.452 3.170 1.00 0.00 H new ATOM 0 HA TYR A 65 1.020 -2.574 2.897 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.388 -2.727 2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.133 -3.263 3.971 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.386 -5.646 4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.072 -4.314 0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.522 -7.762 4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.203 -6.431 0.066 1.00 0.00 H new ATOM 0 HH TYR A 65 4.926 -9.030 1.332 1.00 0.00 H new ATOM 1016 N GLY A 66 0.318 -3.087 0.585 1.00 0.00 N ATOM 1017 CA GLY A 66 -0.020 -3.316 -0.807 1.00 0.00 C ATOM 1018 C GLY A 66 0.527 -2.238 -1.722 1.00 0.00 C ATOM 1019 O GLY A 66 1.355 -1.425 -1.309 1.00 0.00 O ATOM 0 H GLY A 66 -0.135 -2.277 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.371 -4.285 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.104 -3.361 -0.912 1.00 0.00 H new ATOM 1023 N TYR A 67 0.066 -2.231 -2.967 1.00 0.00 N ATOM 1024 CA TYR A 67 0.518 -1.247 -3.944 1.00 0.00 C ATOM 1025 C TYR A 67 -0.518 -1.059 -5.048 1.00 0.00 C ATOM 1026 O TYR A 67 -1.406 -1.893 -5.229 1.00 0.00 O ATOM 1027 CB TYR A 67 1.854 -1.677 -4.551 1.00 0.00 C ATOM 1028 CG TYR A 67 1.709 -2.542 -5.783 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.121 -3.799 -5.708 1.00 0.00 C ATOM 1030 CD2 TYR A 67 2.160 -2.102 -7.021 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.988 -4.593 -6.830 1.00 0.00 C ATOM 1032 CE2 TYR A 67 2.029 -2.889 -8.149 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.443 -4.134 -8.048 1.00 0.00 C ATOM 1034 OH TYR A 67 1.310 -4.921 -9.169 1.00 0.00 O ATOM 0 H TYR A 67 -0.621 -2.895 -3.324 1.00 0.00 H new ATOM 0 HA TYR A 67 0.650 -0.295 -3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.430 -0.788 -4.807 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.426 -2.222 -3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.762 -4.161 -4.756 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.621 -1.129 -7.103 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.530 -5.568 -6.754 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.383 -2.532 -9.105 1.00 0.00 H new ATOM 0 HH TYR A 67 1.680 -4.450 -9.945 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.397 0.040 -5.783 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.322 0.338 -6.871 1.00 0.00 C ATOM 1046 C ASP A 68 -0.661 1.232 -7.916 1.00 0.00 C ATOM 1047 O ASP A 68 0.425 1.767 -7.692 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.582 1.013 -6.328 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.669 0.014 -5.981 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -3.468 -1.193 -6.230 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.721 0.440 -5.459 1.00 0.00 O ATOM 0 H ASP A 68 0.332 0.740 -5.646 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.600 -0.603 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.327 1.592 -5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.962 1.717 -7.069 1.00 0.00 H new ATOM 1056 N SER A 69 -1.324 1.390 -9.057 1.00 0.00 N ATOM 1057 CA SER A 69 -0.799 2.216 -10.138 1.00 0.00 C ATOM 1058 C SER A 69 -0.044 3.420 -9.584 1.00 0.00 C ATOM 1059 O SER A 69 1.182 3.484 -9.656 1.00 0.00 O ATOM 1060 CB SER A 69 -1.936 2.686 -11.047 1.00 0.00 C ATOM 1061 OG SER A 69 -1.430 3.295 -12.223 1.00 0.00 O ATOM 0 H SER A 69 -2.226 0.957 -9.257 1.00 0.00 H new ATOM 0 HA SER A 69 -0.104 1.611 -10.721 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.566 1.838 -11.315 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.567 3.394 -10.509 1.00 0.00 H new ATOM 0 HG SER A 69 -2.176 3.585 -12.788 1.00 0.00 H new ATOM 1067 N ASN A 70 -0.787 4.373 -9.032 1.00 0.00 N ATOM 1068 CA ASN A 70 -0.189 5.577 -8.466 1.00 0.00 C ATOM 1069 C ASN A 70 -0.588 5.747 -7.003 1.00 0.00 C ATOM 1070 O ASN A 70 -0.666 6.866 -6.495 1.00 0.00 O ATOM 1071 CB ASN A 70 -0.614 6.809 -9.268 1.00 0.00 C ATOM 1072 CG ASN A 70 -2.119 6.903 -9.428 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -2.751 6.015 -10.001 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -2.701 7.984 -8.921 1.00 0.00 N ATOM 0 H ASN A 70 -1.804 4.335 -8.964 1.00 0.00 H new ATOM 0 HA ASN A 70 0.895 5.473 -8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.247 7.707 -8.771 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.148 6.777 -10.253 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.711 8.103 -8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.138 8.695 -8.454 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.840 4.629 -6.331 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.231 4.653 -4.926 1.00 0.00 C ATOM 1083 C LEU A 71 -0.518 3.554 -4.144 1.00 0.00 C ATOM 1084 O LEU A 71 -0.483 2.399 -4.567 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.746 4.486 -4.794 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.342 4.823 -3.427 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -2.896 3.808 -2.386 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -2.948 6.230 -3.005 1.00 0.00 C ATOM 0 H LEU A 71 -0.781 3.695 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.940 5.618 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.227 5.115 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.000 3.454 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.428 4.780 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.330 4.064 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.229 2.813 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.809 3.819 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.381 6.452 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.862 6.301 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.318 6.947 -3.738 1.00 0.00 H new ATOM 1100 N PHE A 72 0.048 3.923 -2.999 1.00 0.00 N ATOM 1101 CA PHE A 72 0.760 2.969 -2.156 1.00 0.00 C ATOM 1102 C PHE A 72 0.515 3.260 -0.679 1.00 0.00 C ATOM 1103 O PHE A 72 1.036 4.231 -0.131 1.00 0.00 O ATOM 1104 CB PHE A 72 2.260 3.013 -2.454 1.00 0.00 C ATOM 1105 CG PHE A 72 3.095 2.289 -1.437 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.142 0.904 -1.419 1.00 0.00 C ATOM 1107 CD2 PHE A 72 3.833 2.992 -0.499 1.00 0.00 C ATOM 1108 CE1 PHE A 72 3.909 0.235 -0.484 1.00 0.00 C ATOM 1109 CE2 PHE A 72 4.602 2.329 0.438 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.640 0.949 0.446 1.00 0.00 C ATOM 0 H PHE A 72 0.027 4.875 -2.634 1.00 0.00 H new ATOM 0 HA PHE A 72 0.381 1.972 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.440 2.577 -3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.582 4.053 -2.503 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.573 0.341 -2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.807 4.072 -0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.937 -0.845 -0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.173 2.890 1.163 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.240 0.429 1.178 1.00 0.00 H new ATOM 1120 N SER A 73 -0.283 2.410 -0.039 1.00 0.00 N ATOM 1121 CA SER A 73 -0.601 2.578 1.374 1.00 0.00 C ATOM 1122 C SER A 73 -0.067 1.407 2.194 1.00 0.00 C ATOM 1123 O SER A 73 0.315 0.373 1.646 1.00 0.00 O ATOM 1124 CB SER A 73 -2.114 2.701 1.567 1.00 0.00 C ATOM 1125 OG SER A 73 -2.437 2.950 2.924 1.00 0.00 O ATOM 0 H SER A 73 -0.720 1.599 -0.477 1.00 0.00 H new ATOM 0 HA SER A 73 -0.121 3.493 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.499 3.509 0.944 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.602 1.784 1.236 1.00 0.00 H new ATOM 0 HG SER A 73 -1.726 3.484 3.337 1.00 0.00 H new ATOM 1131 N PHE A 74 -0.042 1.578 3.512 1.00 0.00 N ATOM 1132 CA PHE A 74 0.447 0.538 4.409 1.00 0.00 C ATOM 1133 C PHE A 74 -0.068 0.758 5.828 1.00 0.00 C ATOM 1134 O PHE A 74 -0.139 1.890 6.305 1.00 0.00 O ATOM 1135 CB PHE A 74 1.977 0.511 4.407 1.00 0.00 C ATOM 1136 CG PHE A 74 2.597 1.669 5.134 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.471 1.790 6.509 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.307 2.638 4.443 1.00 0.00 C ATOM 1139 CE1 PHE A 74 3.041 2.854 7.181 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.880 3.704 5.110 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.746 3.813 6.480 1.00 0.00 C ATOM 0 H PHE A 74 -0.355 2.427 3.982 1.00 0.00 H new ATOM 0 HA PHE A 74 0.074 -0.421 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.317 -0.419 4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.331 0.508 3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.920 1.043 7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.414 2.559 3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.936 2.936 8.253 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.432 4.452 4.560 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.192 4.647 7.003 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.426 -0.334 6.497 1.00 0.00 N ATOM 1152 CA GLU A 75 -0.936 -0.260 7.861 1.00 0.00 C ATOM 1153 C GLU A 75 0.146 -0.642 8.868 1.00 0.00 C ATOM 1154 O GLU A 75 1.098 -1.347 8.534 1.00 0.00 O ATOM 1155 CB GLU A 75 -2.149 -1.178 8.027 1.00 0.00 C ATOM 1156 CG GLU A 75 -2.882 -0.987 9.344 1.00 0.00 C ATOM 1157 CD GLU A 75 -3.958 -2.031 9.570 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -3.632 -3.112 10.103 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -5.125 -1.768 9.213 1.00 0.00 O ATOM 0 H GLU A 75 -0.372 -1.279 6.117 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.240 0.769 8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.843 -1.001 7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.822 -2.215 7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.165 -1.027 10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.334 0.005 9.364 1.00 0.00 H new ATOM 1166 N SER A 76 -0.008 -0.169 10.101 1.00 0.00 N ATOM 1167 CA SER A 76 0.957 -0.457 11.155 1.00 0.00 C ATOM 1168 C SER A 76 0.251 -0.710 12.484 1.00 0.00 C ATOM 1169 O SER A 76 -0.812 -0.152 12.750 1.00 0.00 O ATOM 1170 CB SER A 76 1.945 0.703 11.302 1.00 0.00 C ATOM 1171 OG SER A 76 1.359 1.786 12.004 1.00 0.00 O ATOM 0 H SER A 76 -0.791 0.415 10.394 1.00 0.00 H new ATOM 0 HA SER A 76 1.504 -1.358 10.877 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.835 0.362 11.831 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.268 1.037 10.316 1.00 0.00 H new ATOM 0 HG SER A 76 2.011 2.513 12.086 1.00 0.00 H new ATOM 1177 N GLY A 77 0.852 -1.556 13.315 1.00 0.00 N ATOM 1178 CA GLY A 77 0.268 -1.870 14.605 1.00 0.00 C ATOM 1179 C GLY A 77 0.168 -0.655 15.507 1.00 0.00 C ATOM 1180 O GLY A 77 0.043 0.473 15.029 1.00 0.00 O ATOM 0 H GLY A 77 1.733 -2.030 13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.726 -2.292 14.457 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.869 -2.635 15.096 1.00 0.00 H new ATOM 1184 N ARG A 78 0.222 -0.885 16.815 1.00 0.00 N ATOM 1185 CA ARG A 78 0.134 0.200 17.785 1.00 0.00 C ATOM 1186 C ARG A 78 1.461 0.386 18.514 1.00 0.00 C ATOM 1187 O ARG A 78 1.822 1.501 18.893 1.00 0.00 O ATOM 1188 CB ARG A 78 -0.980 -0.081 18.796 1.00 0.00 C ATOM 1189 CG ARG A 78 -0.543 -0.963 19.954 1.00 0.00 C ATOM 1190 CD ARG A 78 -1.503 -0.855 21.129 1.00 0.00 C ATOM 1191 NE ARG A 78 -1.179 -1.806 22.189 1.00 0.00 N ATOM 1192 CZ ARG A 78 -1.953 -2.018 23.248 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -3.090 -1.350 23.386 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -1.591 -2.900 24.170 1.00 0.00 N ATOM 0 H ARG A 78 0.326 -1.812 17.227 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.097 1.119 17.246 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.348 0.866 19.190 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.814 -0.558 18.282 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.487 -2.000 19.622 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.459 -0.676 20.274 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.473 0.158 21.529 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.521 -1.031 20.783 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.311 -2.336 22.112 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.372 -0.672 22.678 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.683 -1.514 24.200 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.718 -3.416 24.067 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.186 -3.062 24.982 1.00 0.00 H new ATOM 1208 N ARG A 79 2.184 -0.713 18.707 1.00 0.00 N ATOM 1209 CA ARG A 79 3.470 -0.671 19.392 1.00 0.00 C ATOM 1210 C ARG A 79 4.487 0.136 18.590 1.00 0.00 C ATOM 1211 O ARG A 79 5.542 0.511 19.104 1.00 0.00 O ATOM 1212 CB ARG A 79 3.996 -2.089 19.623 1.00 0.00 C ATOM 1213 CG ARG A 79 4.089 -2.918 18.353 1.00 0.00 C ATOM 1214 CD ARG A 79 3.973 -4.405 18.649 1.00 0.00 C ATOM 1215 NE ARG A 79 3.427 -5.147 17.516 1.00 0.00 N ATOM 1216 CZ ARG A 79 2.126 -5.276 17.280 1.00 0.00 C ATOM 1217 NH1 ARG A 79 1.243 -4.715 18.095 1.00 0.00 N ATOM 1218 NH2 ARG A 79 1.706 -5.968 16.228 1.00 0.00 N ATOM 0 H ARG A 79 1.901 -1.643 18.398 1.00 0.00 H new ATOM 0 HA ARG A 79 3.324 -0.184 20.356 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.983 -2.031 20.082 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.344 -2.598 20.332 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.299 -2.620 17.664 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.038 -2.718 17.855 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.956 -4.802 18.903 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.335 -4.553 19.520 1.00 0.00 H new ATOM 0 HE ARG A 79 4.080 -5.591 16.870 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.562 -4.183 18.905 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.245 -4.815 17.912 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.382 -6.402 15.600 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.707 -6.066 16.048 1.00 0.00 H new ATOM 1232 N CYS A 80 4.164 0.398 17.328 1.00 0.00 N ATOM 1233 CA CYS A 80 5.049 1.159 16.454 1.00 0.00 C ATOM 1234 C CYS A 80 5.176 2.602 16.931 1.00 0.00 C ATOM 1235 O CYS A 80 4.638 2.970 17.974 1.00 0.00 O ATOM 1236 CB CYS A 80 4.531 1.127 15.016 1.00 0.00 C ATOM 1237 SG CYS A 80 3.779 -0.446 14.536 1.00 0.00 S ATOM 0 H CYS A 80 3.296 0.094 16.888 1.00 0.00 H new ATOM 0 HA CYS A 80 6.036 0.697 16.487 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.797 1.922 14.888 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.357 1.344 14.339 1.00 0.00 H new ATOM 0 HG CYS A 80 4.124 -0.738 13.317 1.00 0.00 H new ATOM 1243 N GLN A 81 5.892 3.414 16.159 1.00 0.00 N ATOM 1244 CA GLN A 81 6.091 4.816 16.505 1.00 0.00 C ATOM 1245 C GLN A 81 4.778 5.588 16.424 1.00 0.00 C ATOM 1246 O GLN A 81 4.307 6.141 17.419 1.00 0.00 O ATOM 1247 CB GLN A 81 7.127 5.450 15.575 1.00 0.00 C ATOM 1248 CG GLN A 81 7.359 6.929 15.841 1.00 0.00 C ATOM 1249 CD GLN A 81 8.732 7.394 15.396 1.00 0.00 C ATOM 1250 OE1 GLN A 81 9.700 6.634 15.436 1.00 0.00 O ATOM 1251 NE2 GLN A 81 8.823 8.648 14.969 1.00 0.00 N ATOM 0 H GLN A 81 6.343 3.125 15.291 1.00 0.00 H new ATOM 0 HA GLN A 81 6.456 4.863 17.531 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.072 4.918 15.681 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.803 5.322 14.542 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.597 7.511 15.323 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.241 7.125 16.907 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.994 9.243 14.953 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.721 9.017 14.657 1.00 0.00 H new ATOM 1260 N THR A 82 4.190 5.624 15.231 1.00 0.00 N ATOM 1261 CA THR A 82 2.933 6.329 15.020 1.00 0.00 C ATOM 1262 C THR A 82 1.769 5.583 15.662 1.00 0.00 C ATOM 1263 O THR A 82 0.824 6.196 16.157 1.00 0.00 O ATOM 1264 CB THR A 82 2.641 6.518 13.519 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.699 5.256 12.846 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.638 7.481 12.891 1.00 0.00 C ATOM 0 H THR A 82 4.565 5.173 14.397 1.00 0.00 H new ATOM 0 HA THR A 82 3.037 7.307 15.489 1.00 0.00 H new ATOM 0 HB THR A 82 1.640 6.938 13.416 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.790 4.915 12.712 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.412 7.599 11.831 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.570 8.450 13.386 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.647 7.085 13.005 1.00 0.00 H new ATOM 1274 N GLY A 83 1.845 4.256 15.652 1.00 0.00 N ATOM 1275 CA GLY A 83 0.791 3.448 16.237 1.00 0.00 C ATOM 1276 C GLY A 83 -0.238 3.008 15.215 1.00 0.00 C ATOM 1277 O GLY A 83 0.020 3.041 14.012 1.00 0.00 O ATOM 0 H GLY A 83 2.618 3.726 15.249 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.231 2.568 16.707 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.296 4.017 17.024 1.00 0.00 H new ATOM 1281 N GLN A 84 -1.407 2.594 15.694 1.00 0.00 N ATOM 1282 CA GLN A 84 -2.477 2.142 14.813 1.00 0.00 C ATOM 1283 C GLN A 84 -2.878 3.243 13.836 1.00 0.00 C ATOM 1284 O GLN A 84 -2.689 4.428 14.109 1.00 0.00 O ATOM 1285 CB GLN A 84 -3.691 1.704 15.633 1.00 0.00 C ATOM 1286 CG GLN A 84 -4.199 2.773 16.587 1.00 0.00 C ATOM 1287 CD GLN A 84 -5.606 2.496 17.079 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -5.964 1.351 17.358 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -6.413 3.545 17.189 1.00 0.00 N ATOM 0 H GLN A 84 -1.637 2.562 16.687 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.108 1.290 14.241 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.496 1.423 14.954 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.431 0.813 16.204 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.526 2.841 17.442 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.177 3.741 16.087 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.075 4.476 16.947 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.371 3.419 17.516 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.433 2.843 12.696 1.00 0.00 N ATOM 1299 CA GLY A 85 -3.852 3.808 11.696 1.00 0.00 C ATOM 1300 C GLY A 85 -3.234 3.540 10.338 1.00 0.00 C ATOM 1301 O GLY A 85 -2.063 3.171 10.243 1.00 0.00 O ATOM 0 H GLY A 85 -3.600 1.868 12.447 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.938 3.787 11.608 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.578 4.810 12.025 1.00 0.00 H new ATOM 1305 N ILE A 86 -4.022 3.725 9.284 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.546 3.501 7.925 1.00 0.00 C ATOM 1307 C ILE A 86 -3.151 4.813 7.257 1.00 0.00 C ATOM 1308 O ILE A 86 -3.858 5.815 7.367 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.612 2.799 7.064 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.929 1.415 7.633 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -4.140 2.690 5.622 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.089 0.729 6.944 1.00 0.00 C ATOM 0 H ILE A 86 -4.993 4.030 9.346 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.670 2.857 8.000 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.524 3.396 7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.043 0.785 7.549 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.153 1.510 8.695 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.904 2.192 5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.961 3.688 5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.216 2.112 5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.257 -0.247 7.399 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.987 1.338 7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.860 0.601 5.886 1.00 0.00 H new ATOM 1324 N PHE A 87 -2.018 4.800 6.562 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.530 5.989 5.875 1.00 0.00 C ATOM 1326 C PHE A 87 -1.317 5.710 4.390 1.00 0.00 C ATOM 1327 O PHE A 87 -0.565 4.810 4.018 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.222 6.469 6.508 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.271 6.537 8.007 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -1.245 7.286 8.648 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.657 5.853 8.776 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.293 7.351 10.028 1.00 0.00 C ATOM 1333 CE2 PHE A 87 0.614 5.914 10.156 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.362 6.664 10.783 1.00 0.00 C ATOM 0 H PHE A 87 -1.421 3.979 6.460 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.283 6.771 5.976 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.584 5.799 6.209 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.021 7.456 6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.975 7.825 8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.423 5.265 8.291 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.057 7.938 10.515 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.343 5.376 10.744 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.397 6.713 11.861 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.986 6.489 3.546 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.870 6.327 2.102 1.00 0.00 C ATOM 1346 C ALA A 88 -0.947 7.383 1.504 1.00 0.00 C ATOM 1347 O ALA A 88 -1.099 8.576 1.766 1.00 0.00 O ATOM 1348 CB ALA A 88 -3.244 6.395 1.451 1.00 0.00 C ATOM 0 H ALA A 88 -2.614 7.238 3.837 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.435 5.347 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.142 6.273 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.875 5.600 1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.701 7.361 1.665 1.00 0.00 H new ATOM 1354 N PHE A 89 0.012 6.936 0.699 1.00 0.00 N ATOM 1355 CA PHE A 89 0.962 7.843 0.065 1.00 0.00 C ATOM 1356 C PHE A 89 0.884 7.736 -1.455 1.00 0.00 C ATOM 1357 O PHE A 89 0.764 6.642 -2.007 1.00 0.00 O ATOM 1358 CB PHE A 89 2.385 7.537 0.537 1.00 0.00 C ATOM 1359 CG PHE A 89 2.578 7.719 2.016 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.561 8.984 2.579 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.778 6.624 2.841 1.00 0.00 C ATOM 1362 CE1 PHE A 89 2.738 9.155 3.939 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.955 6.789 4.202 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.936 8.056 4.752 1.00 0.00 C ATOM 0 H PHE A 89 0.152 5.952 0.471 1.00 0.00 H new ATOM 0 HA PHE A 89 0.702 8.861 0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.635 6.510 0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.083 8.184 0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.408 9.847 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.796 5.631 2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.722 10.147 4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.108 5.928 4.835 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.076 8.187 5.815 1.00 0.00 H new ATOM 1374 N LYS A 90 0.953 8.880 -2.127 1.00 0.00 N ATOM 1375 CA LYS A 90 0.891 8.917 -3.583 1.00 0.00 C ATOM 1376 C LYS A 90 2.291 8.996 -4.185 1.00 0.00 C ATOM 1377 O LYS A 90 3.010 9.975 -3.980 1.00 0.00 O ATOM 1378 CB LYS A 90 0.056 10.113 -4.048 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.421 9.797 -4.210 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.163 10.935 -4.889 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.658 10.662 -4.959 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.004 9.755 -6.087 1.00 0.00 N ATOM 0 H LYS A 90 1.052 9.794 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 90 0.418 7.996 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.169 10.925 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.449 10.472 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.537 8.885 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.863 9.606 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.986 11.862 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.770 11.077 -5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.990 10.218 -4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.194 11.604 -5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.031 9.594 -6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.710 10.190 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.513 8.847 -5.965 1.00 0.00 H new ATOM 1396 N CYS A 91 2.669 7.963 -4.928 1.00 0.00 N ATOM 1397 CA CYS A 91 3.983 7.916 -5.561 1.00 0.00 C ATOM 1398 C CYS A 91 3.876 7.422 -7.000 1.00 0.00 C ATOM 1399 O CYS A 91 3.004 6.617 -7.328 1.00 0.00 O ATOM 1400 CB CYS A 91 4.923 7.008 -4.766 1.00 0.00 C ATOM 1401 SG CYS A 91 6.678 7.331 -5.053 1.00 0.00 S ATOM 0 H CYS A 91 2.085 7.146 -5.108 1.00 0.00 H new ATOM 0 HA CYS A 91 4.390 8.927 -5.572 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.712 7.126 -3.703 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.709 5.970 -5.020 1.00 0.00 H new ATOM 0 HG CYS A 91 6.945 8.568 -4.758 1.00 0.00 H new ATOM 1407 N SER A 92 4.768 7.912 -7.856 1.00 0.00 N ATOM 1408 CA SER A 92 4.771 7.525 -9.262 1.00 0.00 C ATOM 1409 C SER A 92 5.457 6.175 -9.452 1.00 0.00 C ATOM 1410 O SER A 92 5.140 5.432 -10.381 1.00 0.00 O ATOM 1411 CB SER A 92 5.473 8.590 -10.105 1.00 0.00 C ATOM 1412 OG SER A 92 5.261 8.368 -11.488 1.00 0.00 O ATOM 0 H SER A 92 5.497 8.577 -7.600 1.00 0.00 H new ATOM 0 HA SER A 92 3.736 7.437 -9.591 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.102 9.578 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.542 8.581 -9.892 1.00 0.00 H new ATOM 0 HG SER A 92 5.719 9.063 -12.005 1.00 0.00 H new ATOM 1418 N ARG A 93 6.397 5.866 -8.566 1.00 0.00 N ATOM 1419 CA ARG A 93 7.130 4.608 -8.636 1.00 0.00 C ATOM 1420 C ARG A 93 6.780 3.709 -7.454 1.00 0.00 C ATOM 1421 O ARG A 93 7.664 3.159 -6.797 1.00 0.00 O ATOM 1422 CB ARG A 93 8.637 4.871 -8.663 1.00 0.00 C ATOM 1423 CG ARG A 93 9.114 5.546 -9.938 1.00 0.00 C ATOM 1424 CD ARG A 93 10.312 6.446 -9.677 1.00 0.00 C ATOM 1425 NE ARG A 93 9.909 7.816 -9.367 1.00 0.00 N ATOM 1426 CZ ARG A 93 9.309 8.620 -10.238 1.00 0.00 C ATOM 1427 NH1 ARG A 93 9.043 8.194 -11.465 1.00 0.00 N ATOM 1428 NH2 ARG A 93 8.973 9.853 -9.881 1.00 0.00 N ATOM 0 H ARG A 93 6.669 6.470 -7.790 1.00 0.00 H new ATOM 0 HA ARG A 93 6.841 4.099 -9.556 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.904 5.495 -7.810 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.165 3.925 -8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.381 4.788 -10.675 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.302 6.134 -10.365 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.895 6.043 -8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.962 6.448 -10.552 1.00 0.00 H new ATOM 0 HE ARG A 93 10.099 8.174 -8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.299 7.247 -11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.582 8.814 -12.131 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.175 10.184 -8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.512 10.470 -10.550 1.00 0.00 H new ATOM 1442 N ALA A 94 5.486 3.564 -7.189 1.00 0.00 N ATOM 1443 CA ALA A 94 5.020 2.731 -6.087 1.00 0.00 C ATOM 1444 C ALA A 94 5.537 1.303 -6.222 1.00 0.00 C ATOM 1445 O ALA A 94 6.202 0.787 -5.324 1.00 0.00 O ATOM 1446 CB ALA A 94 3.500 2.741 -6.025 1.00 0.00 C ATOM 0 H ALA A 94 4.741 4.013 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 94 5.413 3.145 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.165 2.115 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.149 3.762 -5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.095 2.354 -6.960 1.00 0.00 H new ATOM 1452 N GLU A 95 5.227 0.670 -7.349 1.00 0.00 N ATOM 1453 CA GLU A 95 5.660 -0.700 -7.599 1.00 0.00 C ATOM 1454 C GLU A 95 7.068 -0.932 -7.060 1.00 0.00 C ATOM 1455 O GLU A 95 7.281 -1.787 -6.201 1.00 0.00 O ATOM 1456 CB GLU A 95 5.619 -1.006 -9.098 1.00 0.00 C ATOM 1457 CG GLU A 95 5.600 -2.491 -9.416 1.00 0.00 C ATOM 1458 CD GLU A 95 4.939 -2.795 -10.746 1.00 0.00 C ATOM 1459 OE1 GLU A 95 4.193 -1.929 -11.248 1.00 0.00 O ATOM 1460 OE2 GLU A 95 5.167 -3.899 -11.284 1.00 0.00 O ATOM 0 H GLU A 95 4.678 1.083 -8.103 1.00 0.00 H new ATOM 0 HA GLU A 95 4.976 -1.371 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.735 -0.539 -9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.486 -0.552 -9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.622 -2.869 -9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.073 -3.022 -8.623 1.00 0.00 H new ATOM 1467 N GLU A 96 8.026 -0.165 -7.572 1.00 0.00 N ATOM 1468 CA GLU A 96 9.414 -0.289 -7.143 1.00 0.00 C ATOM 1469 C GLU A 96 9.499 -0.515 -5.636 1.00 0.00 C ATOM 1470 O GLU A 96 10.123 -1.472 -5.176 1.00 0.00 O ATOM 1471 CB GLU A 96 10.203 0.964 -7.527 1.00 0.00 C ATOM 1472 CG GLU A 96 10.818 0.894 -8.915 1.00 0.00 C ATOM 1473 CD GLU A 96 11.978 1.856 -9.089 1.00 0.00 C ATOM 1474 OE1 GLU A 96 12.562 2.272 -8.067 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.301 2.192 -10.247 1.00 0.00 O ATOM 0 H GLU A 96 7.866 0.548 -8.284 1.00 0.00 H new ATOM 0 HA GLU A 96 9.848 -1.152 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.542 1.829 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.995 1.123 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.162 -0.123 -9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.053 1.115 -9.659 1.00 0.00 H new ATOM 1482 N ILE A 97 8.869 0.373 -4.874 1.00 0.00 N ATOM 1483 CA ILE A 97 8.874 0.270 -3.420 1.00 0.00 C ATOM 1484 C ILE A 97 8.196 -1.016 -2.958 1.00 0.00 C ATOM 1485 O ILE A 97 8.556 -1.583 -1.926 1.00 0.00 O ATOM 1486 CB ILE A 97 8.166 1.473 -2.769 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.792 2.783 -3.251 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.237 1.372 -1.252 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.812 3.934 -3.313 1.00 0.00 C ATOM 0 H ILE A 97 8.349 1.171 -5.239 1.00 0.00 H new ATOM 0 HA ILE A 97 9.918 0.260 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 97 7.117 1.463 -3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.613 3.051 -2.585 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.222 2.628 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.732 2.229 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.749 0.454 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.280 1.361 -0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.325 4.830 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 97 7.003 3.687 -4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.401 4.116 -2.320 1.00 0.00 H new ATOM 1501 N PHE A 98 7.215 -1.471 -3.729 1.00 0.00 N ATOM 1502 CA PHE A 98 6.487 -2.691 -3.400 1.00 0.00 C ATOM 1503 C PHE A 98 7.296 -3.927 -3.781 1.00 0.00 C ATOM 1504 O PHE A 98 7.115 -5.002 -3.210 1.00 0.00 O ATOM 1505 CB PHE A 98 5.135 -2.712 -4.115 1.00 0.00 C ATOM 1506 CG PHE A 98 4.732 -4.077 -4.596 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.337 -5.054 -3.697 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.749 -4.383 -5.947 1.00 0.00 C ATOM 1509 CE1 PHE A 98 3.967 -6.311 -4.137 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.380 -5.638 -6.393 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.987 -6.603 -5.487 1.00 0.00 C ATOM 0 H PHE A 98 6.905 -1.013 -4.586 1.00 0.00 H new ATOM 0 HA PHE A 98 6.321 -2.705 -2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.369 -2.333 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.173 -2.032 -4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.318 -4.831 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.054 -3.632 -6.660 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.662 -7.064 -3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.399 -5.864 -7.449 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.696 -7.584 -5.833 1.00 0.00 H new ATOM 1521 N ASN A 99 8.190 -3.766 -4.751 1.00 0.00 N ATOM 1522 CA ASN A 99 9.027 -4.868 -5.211 1.00 0.00 C ATOM 1523 C ASN A 99 10.317 -4.946 -4.401 1.00 0.00 C ATOM 1524 O ASN A 99 10.997 -5.973 -4.392 1.00 0.00 O ATOM 1525 CB ASN A 99 9.353 -4.703 -6.697 1.00 0.00 C ATOM 1526 CG ASN A 99 8.303 -5.331 -7.592 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.629 -6.286 -7.203 1.00 0.00 O ATOM 1528 ND2 ASN A 99 8.158 -4.797 -8.799 1.00 0.00 N ATOM 0 H ASN A 99 8.354 -2.883 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 99 8.473 -5.796 -5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.439 -3.642 -6.932 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.322 -5.155 -6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.467 -5.178 -9.445 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.738 -4.006 -9.080 1.00 0.00 H new ATOM 1535 N LEU A 100 10.650 -3.853 -3.722 1.00 0.00 N ATOM 1536 CA LEU A 100 11.859 -3.797 -2.908 1.00 0.00 C ATOM 1537 C LEU A 100 11.549 -4.124 -1.450 1.00 0.00 C ATOM 1538 O LEU A 100 12.389 -4.670 -0.734 1.00 0.00 O ATOM 1539 CB LEU A 100 12.499 -2.411 -3.006 1.00 0.00 C ATOM 1540 CG LEU A 100 13.836 -2.237 -2.285 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.796 -3.355 -2.662 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.443 -0.879 -2.607 1.00 0.00 C ATOM 0 H LEU A 100 10.100 -2.994 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 100 12.558 -4.542 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.644 -2.173 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.796 -1.679 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 100 13.657 -2.287 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.742 -3.214 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.365 -4.315 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.970 -3.338 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.394 -0.773 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.608 -0.800 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 100 13.762 -0.091 -2.285 1.00 0.00 H new ATOM 1554 N LEU A 101 10.339 -3.789 -1.018 1.00 0.00 N ATOM 1555 CA LEU A 101 9.917 -4.049 0.354 1.00 0.00 C ATOM 1556 C LEU A 101 10.107 -5.520 0.712 1.00 0.00 C ATOM 1557 O LEU A 101 10.886 -5.854 1.605 1.00 0.00 O ATOM 1558 CB LEU A 101 8.451 -3.653 0.542 1.00 0.00 C ATOM 1559 CG LEU A 101 8.200 -2.230 1.044 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.717 -1.898 0.986 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.731 -2.064 2.460 1.00 0.00 C ATOM 0 H LEU A 101 9.632 -3.337 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 101 10.538 -3.448 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.937 -3.777 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.994 -4.351 1.244 1.00 0.00 H new ATOM 0 HG LEU A 101 8.732 -1.536 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.557 -0.882 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.366 -1.977 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.163 -2.597 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.544 -1.046 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.227 -2.767 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.803 -2.260 2.472 1.00 0.00 H new ATOM 1573 N GLN A 102 9.393 -6.392 0.009 1.00 0.00 N ATOM 1574 CA GLN A 102 9.485 -7.827 0.253 1.00 0.00 C ATOM 1575 C GLN A 102 10.934 -8.298 0.187 1.00 0.00 C ATOM 1576 O GLN A 102 11.315 -9.262 0.853 1.00 0.00 O ATOM 1577 CB GLN A 102 8.640 -8.594 -0.765 1.00 0.00 C ATOM 1578 CG GLN A 102 8.883 -8.166 -2.204 1.00 0.00 C ATOM 1579 CD GLN A 102 7.965 -8.868 -3.185 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.281 -9.947 -3.686 1.00 0.00 O ATOM 1581 NE2 GLN A 102 6.819 -8.257 -3.464 1.00 0.00 N ATOM 0 H GLN A 102 8.745 -6.131 -0.734 1.00 0.00 H new ATOM 0 HA GLN A 102 9.103 -8.025 1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.851 -9.659 -0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.585 -8.456 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.741 -7.088 -2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.919 -8.373 -2.470 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.598 -7.363 -3.025 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.160 -8.682 -4.117 1.00 0.00 H new ATOM 1590 N ASP A 103 11.737 -7.614 -0.620 1.00 0.00 N ATOM 1591 CA ASP A 103 13.145 -7.962 -0.772 1.00 0.00 C ATOM 1592 C ASP A 103 13.916 -7.683 0.514 1.00 0.00 C ATOM 1593 O ASP A 103 14.835 -8.421 0.872 1.00 0.00 O ATOM 1594 CB ASP A 103 13.763 -7.180 -1.933 1.00 0.00 C ATOM 1595 CG ASP A 103 13.641 -7.913 -3.254 1.00 0.00 C ATOM 1596 OD1 ASP A 103 13.900 -9.135 -3.282 1.00 0.00 O ATOM 1597 OD2 ASP A 103 13.286 -7.265 -4.261 1.00 0.00 O ATOM 0 H ASP A 103 11.437 -6.815 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 103 13.209 -9.029 -0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.275 -6.209 -2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.815 -6.992 -1.721 1.00 0.00 H new ATOM 1602 N LEU A 104 13.539 -6.612 1.203 1.00 0.00 N ATOM 1603 CA LEU A 104 14.195 -6.234 2.450 1.00 0.00 C ATOM 1604 C LEU A 104 13.588 -6.979 3.633 1.00 0.00 C ATOM 1605 O LEU A 104 14.294 -7.366 4.564 1.00 0.00 O ATOM 1606 CB LEU A 104 14.082 -4.724 2.671 1.00 0.00 C ATOM 1607 CG LEU A 104 14.659 -3.839 1.565 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.329 -2.377 1.825 1.00 0.00 C ATOM 1609 CD2 LEU A 104 16.164 -4.036 1.454 1.00 0.00 C ATOM 0 H LEU A 104 12.782 -5.990 0.919 1.00 0.00 H new ATOM 0 HA LEU A 104 15.248 -6.507 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.029 -4.473 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.583 -4.475 3.606 1.00 0.00 H new ATOM 0 HG LEU A 104 14.204 -4.131 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.747 -1.762 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.247 -2.248 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.756 -2.072 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.557 -3.398 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.636 -3.772 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.378 -5.079 1.220 1.00 0.00 H new ATOM 1621 N MET A 105 12.275 -7.180 3.589 1.00 0.00 N ATOM 1622 CA MET A 105 11.573 -7.883 4.657 1.00 0.00 C ATOM 1623 C MET A 105 12.056 -9.326 4.766 1.00 0.00 C ATOM 1624 O MET A 105 12.357 -9.807 5.858 1.00 0.00 O ATOM 1625 CB MET A 105 10.064 -7.854 4.409 1.00 0.00 C ATOM 1626 CG MET A 105 9.487 -6.450 4.330 1.00 0.00 C ATOM 1627 SD MET A 105 7.823 -6.421 3.638 1.00 0.00 S ATOM 1628 CE MET A 105 6.842 -6.748 5.100 1.00 0.00 C ATOM 0 H MET A 105 11.676 -6.866 2.826 1.00 0.00 H new ATOM 0 HA MET A 105 11.789 -7.375 5.597 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.847 -8.380 3.479 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.562 -8.399 5.208 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.469 -6.012 5.328 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.141 -5.826 3.720 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.348 -7.715 4.998 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.489 -6.762 5.977 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.090 -5.967 5.216 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.654 11.495 8.451 1.00 0.00 N ATOM 2276 CA PHE B 2 -4.088 11.354 8.223 1.00 0.00 C ATOM 2277 C PHE B 2 -4.528 9.905 8.406 1.00 0.00 C ATOM 2278 O PHE B 2 -4.027 9.003 7.735 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.451 11.835 6.816 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.907 11.672 6.484 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.424 10.424 6.174 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.758 12.765 6.484 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.763 10.271 5.867 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -8.098 12.618 6.178 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.602 11.369 5.871 1.00 0.00 C ATOM 0 HA PHE B 2 -4.610 11.969 8.956 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -4.180 12.886 6.719 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.856 11.284 6.087 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.774 9.562 6.172 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.370 13.743 6.726 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.153 9.294 5.624 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.750 13.479 6.179 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.649 11.251 5.635 1.00 0.00 H new ATOM 2295 N ARG B 3 -5.468 9.689 9.321 1.00 0.00 N ATOM 2296 CA ARG B 3 -5.975 8.350 9.595 1.00 0.00 C ATOM 2297 C ARG B 3 -7.071 7.971 8.603 1.00 0.00 C ATOM 2298 O ARG B 3 -8.045 8.704 8.428 1.00 0.00 O ATOM 2299 CB ARG B 3 -6.514 8.269 11.024 1.00 0.00 C ATOM 2300 CG ARG B 3 -7.747 9.126 11.260 1.00 0.00 C ATOM 2301 CD ARG B 3 -7.958 9.403 12.740 1.00 0.00 C ATOM 2302 NE ARG B 3 -7.145 10.522 13.209 1.00 0.00 N ATOM 2303 CZ ARG B 3 -7.213 11.014 14.441 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -8.051 10.488 15.323 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -6.441 12.034 14.793 1.00 0.00 N ATOM 0 H ARG B 3 -5.894 10.425 9.885 1.00 0.00 H new ATOM 0 HA ARG B 3 -5.150 7.646 9.485 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -6.754 7.231 11.254 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -5.730 8.576 11.717 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -7.644 10.069 10.723 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -8.624 8.623 10.854 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -9.011 9.619 12.922 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -7.712 8.510 13.315 1.00 0.00 H new ATOM 0 HE ARG B 3 -6.489 10.949 12.555 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -8.646 9.703 15.056 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -8.101 10.868 16.268 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -5.794 12.441 14.117 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -6.494 12.411 15.739 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.906 6.821 7.958 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.881 6.344 6.984 1.00 0.00 C ATOM 2321 C LEU B 4 -8.892 5.409 7.639 1.00 0.00 C ATOM 2322 O LEU B 4 -8.747 5.039 8.804 1.00 0.00 O ATOM 2323 CB LEU B 4 -7.173 5.624 5.835 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.582 6.518 4.745 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.610 5.732 3.878 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.689 7.124 3.894 1.00 0.00 C ATOM 0 H LEU B 4 -6.106 6.202 8.092 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.416 7.208 6.589 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -6.370 5.016 6.253 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.882 4.939 5.370 1.00 0.00 H new ATOM 0 HG LEU B 4 -6.034 7.329 5.225 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.200 6.385 3.108 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.800 5.347 4.497 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.133 4.900 3.407 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.250 7.757 3.123 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.265 6.327 3.424 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.346 7.723 4.525 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.916 5.028 6.881 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.951 4.135 7.388 1.00 0.00 C ATOM 2340 C ARG B 5 -10.793 2.734 6.805 1.00 0.00 C ATOM 2341 O ARG B 5 -10.977 1.736 7.503 1.00 0.00 O ATOM 2342 CB ARG B 5 -12.338 4.685 7.052 1.00 0.00 C ATOM 2343 CG ARG B 5 -12.772 5.833 7.949 1.00 0.00 C ATOM 2344 CD ARG B 5 -13.359 5.326 9.257 1.00 0.00 C ATOM 2345 NE ARG B 5 -12.323 5.019 10.240 1.00 0.00 N ATOM 2346 CZ ARG B 5 -12.582 4.613 11.478 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -13.836 4.465 11.882 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -11.585 4.353 12.314 1.00 0.00 N ATOM 0 H ARG B 5 -10.051 5.324 5.914 1.00 0.00 H new ATOM 0 HA ARG B 5 -10.844 4.074 8.471 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -12.344 5.023 6.016 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -13.068 3.879 7.129 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -11.917 6.476 8.158 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -13.511 6.443 7.429 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -14.035 6.077 9.666 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -13.953 4.432 9.065 1.00 0.00 H new ATOM 0 HE ARG B 5 -11.347 5.122 9.961 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -14.605 4.663 11.242 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -14.032 4.153 12.833 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -10.619 4.465 12.006 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -11.785 4.041 13.264 1.00 0.00 H new ATOM 2362 N HIS B 6 -10.451 2.667 5.522 1.00 0.00 N ATOM 2363 CA HIS B 6 -10.268 1.388 4.846 1.00 0.00 C ATOM 2364 C HIS B 6 -9.071 1.440 3.901 1.00 0.00 C ATOM 2365 O HIS B 6 -8.687 2.509 3.428 1.00 0.00 O ATOM 2366 CB HIS B 6 -11.531 1.013 4.069 1.00 0.00 C ATOM 2367 CG HIS B 6 -11.970 2.065 3.097 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -11.834 1.932 1.731 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -12.549 3.272 3.300 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -12.308 3.012 1.137 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -12.748 3.841 2.067 1.00 0.00 N ATOM 0 H HIS B 6 -10.295 3.483 4.930 1.00 0.00 H new ATOM 0 HA HIS B 6 -10.078 0.628 5.604 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -11.353 0.083 3.529 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -12.339 0.822 4.775 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -12.806 3.706 4.255 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -12.332 3.188 0.072 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -13.167 4.755 1.896 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.487 0.277 3.630 1.00 0.00 N ATOM 2381 CA PHE B 7 -7.332 0.191 2.743 1.00 0.00 C ATOM 2382 C PHE B 7 -7.726 0.515 1.305 1.00 0.00 C ATOM 2383 O PHE B 7 -8.634 -0.088 0.733 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.714 -1.207 2.812 1.00 0.00 C ATOM 2385 CG PHE B 7 -5.233 -1.220 2.562 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -4.388 -0.389 3.280 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.685 -2.064 1.609 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -3.025 -0.398 3.053 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -3.323 -2.078 1.378 1.00 0.00 C ATOM 2390 CZ PHE B 7 -2.492 -1.244 2.100 1.00 0.00 C ATOM 0 H PHE B 7 -8.794 -0.618 4.011 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.595 0.924 3.073 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.912 -1.635 3.794 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -7.204 -1.849 2.080 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.800 0.274 4.026 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -5.330 -2.718 1.041 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.378 0.255 3.620 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.908 -2.741 0.633 1.00 0.00 H new ATOM 0 HZ PHE B 7 -1.427 -1.253 1.920 1.00 0.00 H new ATOM 2400 N PRO B 8 -7.027 1.490 0.706 1.00 0.00 N ATOM 2401 CA PRO B 8 -7.285 1.917 -0.672 1.00 0.00 C ATOM 2402 C PRO B 8 -6.873 0.861 -1.693 1.00 0.00 C ATOM 2403 O PRO B 8 -7.637 0.531 -2.601 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.420 3.172 -0.822 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.325 2.999 0.173 1.00 0.00 C ATOM 2406 CD PRO B 8 -5.930 2.251 1.329 1.00 0.00 C ATOM 0 HA PRO B 8 -8.346 2.089 -0.854 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -6.025 3.262 -1.834 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -6.996 4.076 -0.623 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.491 2.444 -0.257 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -4.934 3.964 0.495 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.204 1.592 1.806 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.298 2.930 2.098 1.00 0.00 H new ATOM 2414 N CYS B 9 -5.663 0.336 -1.538 1.00 0.00 N ATOM 2415 CA CYS B 9 -5.150 -0.683 -2.447 1.00 0.00 C ATOM 2416 C CYS B 9 -5.947 -1.977 -2.318 1.00 0.00 C ATOM 2417 O CYS B 9 -6.531 -2.257 -1.273 1.00 0.00 O ATOM 2418 CB CYS B 9 -3.671 -0.950 -2.164 1.00 0.00 C ATOM 2419 SG CYS B 9 -3.045 -2.483 -2.891 1.00 0.00 S ATOM 0 H CYS B 9 -5.019 0.599 -0.792 1.00 0.00 H new ATOM 0 HA CYS B 9 -5.256 -0.312 -3.467 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.083 -0.114 -2.543 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -3.519 -0.983 -1.085 1.00 0.00 H new ATOM 0 HG CYS B 9 -2.596 -2.244 -4.087 1.00 0.00 H new ATOM 2425 N GLY B 10 -5.967 -2.763 -3.391 1.00 0.00 N ATOM 2426 CA GLY B 10 -6.696 -4.017 -3.378 1.00 0.00 C ATOM 2427 C GLY B 10 -5.778 -5.223 -3.417 1.00 0.00 C ATOM 2428 O GLY B 10 -5.999 -6.203 -2.707 1.00 0.00 O ATOM 0 H GLY B 10 -5.491 -2.553 -4.268 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -7.315 -4.064 -2.482 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -7.371 -4.050 -4.233 1.00 0.00 H new ATOM 2432 N ASN B 11 -4.744 -5.151 -4.249 1.00 0.00 N ATOM 2433 CA ASN B 11 -3.790 -6.246 -4.379 1.00 0.00 C ATOM 2434 C ASN B 11 -2.610 -6.055 -3.431 1.00 0.00 C ATOM 2435 O ASN B 11 -1.691 -5.286 -3.714 1.00 0.00 O ATOM 2436 CB ASN B 11 -3.289 -6.345 -5.821 1.00 0.00 C ATOM 2437 CG ASN B 11 -4.383 -6.763 -6.786 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -4.600 -7.952 -7.019 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -5.078 -5.783 -7.352 1.00 0.00 N ATOM 0 H ASN B 11 -4.546 -4.346 -4.843 1.00 0.00 H new ATOM 0 HA ASN B 11 -4.300 -7.172 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -2.885 -5.381 -6.129 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -2.471 -7.064 -5.870 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -5.826 -6.002 -8.009 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -4.863 -4.811 -7.129 1.00 0.00 H new ATOM 2446 N VAL B 12 -2.642 -6.760 -2.305 1.00 0.00 N ATOM 2447 CA VAL B 12 -1.575 -6.669 -1.315 1.00 0.00 C ATOM 2448 C VAL B 12 -0.856 -8.004 -1.159 1.00 0.00 C ATOM 2449 O VAL B 12 -1.486 -9.060 -1.129 1.00 0.00 O ATOM 2450 CB VAL B 12 -2.118 -6.227 0.057 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -3.225 -7.162 0.519 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -0.994 -6.171 1.080 1.00 0.00 C ATOM 0 H VAL B 12 -3.395 -7.401 -2.055 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.871 -5.920 -1.676 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.539 -5.226 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.596 -6.834 1.490 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.040 -7.147 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.833 -8.176 0.604 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.395 -5.857 2.044 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.542 -7.158 1.179 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.238 -5.458 0.751 1.00 0.00 H new ATOM 2462 N ASN B 13 0.468 -7.949 -1.060 1.00 0.00 N ATOM 2463 CA ASN B 13 1.274 -9.155 -0.906 1.00 0.00 C ATOM 2464 C ASN B 13 1.767 -9.301 0.530 1.00 0.00 C ATOM 2465 O ASN B 13 2.955 -9.136 0.810 1.00 0.00 O ATOM 2466 CB ASN B 13 2.466 -9.122 -1.866 1.00 0.00 C ATOM 2467 CG ASN B 13 3.529 -10.139 -1.501 1.00 0.00 C ATOM 2468 OD1 ASN B 13 3.220 -11.254 -1.079 1.00 0.00 O ATOM 2469 ND2 ASN B 13 4.792 -9.759 -1.662 1.00 0.00 N ATOM 0 H ASN B 13 1.006 -7.083 -1.084 1.00 0.00 H new ATOM 0 HA ASN B 13 0.647 -10.014 -1.144 1.00 0.00 H new ATOM 0 HB2 ASN B 13 2.117 -9.313 -2.881 1.00 0.00 H new ATOM 0 HB3 ASN B 13 2.905 -8.124 -1.862 1.00 0.00 H new ATOM 0 HD21 ASN B 13 5.551 -10.401 -1.433 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.003 -8.825 -2.015 1.00 0.00 H new ATOM 2476 N TYR B 14 0.847 -9.611 1.437 1.00 0.00 N ATOM 2477 CA TYR B 14 1.187 -9.777 2.845 1.00 0.00 C ATOM 2478 C TYR B 14 2.568 -10.406 3.001 1.00 0.00 C ATOM 2479 O TYR B 14 2.930 -11.327 2.269 1.00 0.00 O ATOM 2480 CB TYR B 14 0.138 -10.642 3.545 1.00 0.00 C ATOM 2481 CG TYR B 14 -1.278 -10.146 3.360 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.702 -8.961 3.949 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -2.191 -10.862 2.596 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.996 -8.505 3.783 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -3.486 -10.412 2.423 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.884 -9.233 3.019 1.00 0.00 C ATOM 2487 OH TYR B 14 -5.172 -8.781 2.851 1.00 0.00 O ATOM 0 H TYR B 14 -0.140 -9.752 1.222 1.00 0.00 H new ATOM 0 HA TYR B 14 1.203 -8.790 3.308 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.209 -11.662 3.167 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.364 -10.681 4.611 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.009 -8.387 4.546 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.883 -11.786 2.129 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.310 -7.583 4.249 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -4.183 -10.980 1.825 1.00 0.00 H new ATOM 0 HH TYR B 14 -5.668 -9.409 2.285 1.00 0.00 H new ATOM 2497 N GLY B 15 3.336 -9.901 3.962 1.00 0.00 N ATOM 2498 CA GLY B 15 4.669 -10.425 4.199 1.00 0.00 C ATOM 2499 C GLY B 15 4.743 -11.276 5.450 1.00 0.00 C ATOM 2500 O GLY B 15 4.695 -12.504 5.378 1.00 0.00 O ATOM 0 H GLY B 15 3.059 -9.139 4.580 1.00 0.00 H new ATOM 0 HA2 GLY B 15 4.980 -11.019 3.340 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.372 -9.596 4.285 1.00 0.00 H new