USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 GLN : amide:sc= -0.935 X(o=-0.93,f=-0.77) USER MOD Single : A 16 SER OG : rot 69:sc= 0.817 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HE2:sc= -7.92! C(o=-9.1!,f=-7.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 121:sc= 1.21 USER MOD Single : A 41 GLN : amide:sc= -0.119 K(o=-0.12,f=-0.62) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -4.8! F(o=-5.9,f=-4.8!) USER MOD Single : A 49 ASN : amide:sc= 0.566 K(o=0.57,f=-2.7!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= 0.0409 (180deg=0.01) USER MOD Single : A 59 ASN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0672 F(o=-1.1,f=-0.067) USER MOD Single : A 62 GLN : amide:sc= -3.88! C(o=-3.9!,f=-9!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0615 K(o=-0.061,f=-1.8!) USER MOD Single : A 74 THR OG1 : rot -159:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 2.171 -13.332 10.698 1.00 0.00 N ATOM 160 CA LEU A 14 2.006 -12.931 9.306 1.00 0.00 C ATOM 161 C LEU A 14 1.075 -11.728 9.192 1.00 0.00 C ATOM 162 O LEU A 14 1.316 -10.818 8.398 1.00 0.00 O ATOM 163 CB LEU A 14 1.453 -14.095 8.481 1.00 0.00 C ATOM 164 CG LEU A 14 2.402 -15.275 8.266 1.00 0.00 C ATOM 165 CD1 LEU A 14 1.665 -16.443 7.629 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.586 -14.857 7.407 1.00 0.00 C ATOM 0 HA LEU A 14 2.985 -12.649 8.917 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.551 -14.464 8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.154 -13.713 7.505 1.00 0.00 H new ATOM 0 HG LEU A 14 2.779 -15.596 9.237 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.356 -17.273 7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.851 -16.759 8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.260 -16.135 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.251 -15.709 7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.228 -14.510 6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.129 -14.052 7.903 1.00 0.00 H new ATOM 178 N ARG A 15 0.015 -11.727 9.994 1.00 0.00 N ATOM 179 CA ARG A 15 -0.949 -10.634 9.985 1.00 0.00 C ATOM 180 C ARG A 15 -0.382 -9.402 10.684 1.00 0.00 C ATOM 181 O ARG A 15 -0.870 -8.288 10.494 1.00 0.00 O ATOM 182 CB ARG A 15 -2.248 -11.067 10.667 1.00 0.00 C ATOM 183 CG ARG A 15 -2.097 -11.327 12.156 1.00 0.00 C ATOM 184 CD ARG A 15 -3.445 -11.560 12.821 1.00 0.00 C ATOM 185 NE ARG A 15 -4.289 -10.369 12.781 1.00 0.00 N ATOM 186 CZ ARG A 15 -5.413 -10.240 13.477 1.00 0.00 C ATOM 187 NH1 ARG A 15 -5.827 -11.225 14.262 1.00 0.00 N ATOM 188 NH2 ARG A 15 -6.126 -9.125 13.388 1.00 0.00 N ATOM 0 H ARG A 15 -0.198 -12.471 10.658 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.159 -10.377 8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.002 -10.295 10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.618 -11.972 10.185 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.458 -12.196 12.312 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.600 -10.478 12.626 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.957 -12.384 12.323 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.291 -11.860 13.857 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.999 -9.593 12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.282 -12.084 14.333 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.690 -11.123 14.795 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.811 -8.365 12.785 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.989 -9.027 13.923 1.00 0.00 H new ATOM 202 N SER A 16 0.651 -9.610 11.494 1.00 0.00 N ATOM 203 CA SER A 16 1.283 -8.518 12.224 1.00 0.00 C ATOM 204 C SER A 16 2.483 -7.972 11.456 1.00 0.00 C ATOM 205 O SER A 16 3.517 -7.655 12.042 1.00 0.00 O ATOM 206 CB SER A 16 1.723 -8.991 13.611 1.00 0.00 C ATOM 207 OG SER A 16 2.980 -9.644 13.552 1.00 0.00 O ATOM 0 H SER A 16 1.068 -10.526 11.661 1.00 0.00 H new ATOM 0 HA SER A 16 0.551 -7.718 12.336 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.784 -8.138 14.287 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.976 -9.670 14.021 1.00 0.00 H new ATOM 0 HG SER A 16 3.679 -8.990 13.342 1.00 0.00 H new ATOM 213 N PHE A 17 2.335 -7.866 10.139 1.00 0.00 N ATOM 214 CA PHE A 17 3.407 -7.360 9.289 1.00 0.00 C ATOM 215 C PHE A 17 3.094 -5.947 8.804 1.00 0.00 C ATOM 216 O PHE A 17 2.112 -5.724 8.095 1.00 0.00 O ATOM 217 CB PHE A 17 3.617 -8.288 8.091 1.00 0.00 C ATOM 218 CG PHE A 17 4.268 -7.614 6.917 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.511 -6.888 6.011 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.637 -7.704 6.721 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.107 -6.268 4.930 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.239 -7.085 5.641 1.00 0.00 C ATOM 223 CZ PHE A 17 5.473 -6.365 4.746 1.00 0.00 C ATOM 0 H PHE A 17 1.485 -8.123 9.638 1.00 0.00 H new ATOM 0 HA PHE A 17 4.322 -7.328 9.880 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.231 -9.134 8.400 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.653 -8.690 7.780 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.443 -6.806 6.152 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.241 -8.264 7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.506 -5.708 4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.307 -7.165 5.498 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.941 -5.878 3.903 1.00 0.00 H new ATOM 233 N LYS A 18 3.936 -4.996 9.191 1.00 0.00 N ATOM 234 CA LYS A 18 3.753 -3.604 8.796 1.00 0.00 C ATOM 235 C LYS A 18 4.735 -3.216 7.695 1.00 0.00 C ATOM 236 O LYS A 18 5.950 -3.292 7.878 1.00 0.00 O ATOM 237 CB LYS A 18 3.935 -2.682 10.004 1.00 0.00 C ATOM 238 CG LYS A 18 3.931 -1.205 9.648 1.00 0.00 C ATOM 239 CD LYS A 18 3.646 -0.338 10.863 1.00 0.00 C ATOM 240 CE LYS A 18 4.209 1.064 10.692 1.00 0.00 C ATOM 241 NZ LYS A 18 5.673 1.111 10.961 1.00 0.00 N ATOM 0 H LYS A 18 4.753 -5.163 9.778 1.00 0.00 H new ATOM 0 HA LYS A 18 2.740 -3.493 8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.138 -2.876 10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.876 -2.926 10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.896 -0.930 9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.179 -1.017 8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.570 -0.282 11.027 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.079 -0.799 11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.015 1.412 9.677 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.694 1.747 11.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.018 2.084 10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.857 0.803 11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.168 0.479 10.300 1.00 0.00 H new ATOM 255 N LEU A 19 4.200 -2.800 6.552 1.00 0.00 N ATOM 256 CA LEU A 19 5.030 -2.399 5.421 1.00 0.00 C ATOM 257 C LEU A 19 4.967 -0.890 5.207 1.00 0.00 C ATOM 258 O LEU A 19 3.942 -0.259 5.465 1.00 0.00 O ATOM 259 CB LEU A 19 4.582 -3.124 4.151 1.00 0.00 C ATOM 260 CG LEU A 19 5.069 -2.529 2.831 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.462 -3.041 2.496 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.096 -2.854 1.707 1.00 0.00 C ATOM 0 H LEU A 19 3.196 -2.732 6.384 1.00 0.00 H new ATOM 0 HA LEU A 19 6.061 -2.673 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.923 -4.158 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.492 -3.148 4.136 1.00 0.00 H new ATOM 0 HG LEU A 19 5.118 -1.446 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.792 -2.606 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.154 -2.757 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.439 -4.127 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.460 -2.422 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.014 -3.935 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.116 -2.438 1.942 1.00 0.00 H new ATOM 274 N SER A 20 6.069 -0.317 4.733 1.00 0.00 N ATOM 275 CA SER A 20 6.139 1.118 4.485 1.00 0.00 C ATOM 276 C SER A 20 6.659 1.401 3.079 1.00 0.00 C ATOM 277 O SER A 20 7.818 1.129 2.767 1.00 0.00 O ATOM 278 CB SER A 20 7.040 1.792 5.520 1.00 0.00 C ATOM 279 OG SER A 20 6.295 2.206 6.654 1.00 0.00 O ATOM 0 H SER A 20 6.926 -0.825 4.513 1.00 0.00 H new ATOM 0 HA SER A 20 5.132 1.527 4.570 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.824 1.101 5.829 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.533 2.654 5.071 1.00 0.00 H new ATOM 0 HG SER A 20 6.895 2.632 7.301 1.00 0.00 H new ATOM 285 N VAL A 21 5.793 1.952 2.234 1.00 0.00 N ATOM 286 CA VAL A 21 6.164 2.276 0.862 1.00 0.00 C ATOM 287 C VAL A 21 6.678 3.707 0.754 1.00 0.00 C ATOM 288 O VAL A 21 6.066 4.639 1.274 1.00 0.00 O ATOM 289 CB VAL A 21 4.973 2.095 -0.099 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.430 2.220 -1.545 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.294 0.755 0.141 1.00 0.00 C ATOM 0 H VAL A 21 4.829 2.183 2.476 1.00 0.00 H new ATOM 0 HA VAL A 21 6.959 1.586 0.578 1.00 0.00 H new ATOM 0 HB VAL A 21 4.247 2.884 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.576 2.089 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.866 3.206 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.176 1.454 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.455 0.644 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.009 -0.050 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.930 0.710 1.168 1.00 0.00 H new ATOM 301 N THR A 22 7.807 3.874 0.072 1.00 0.00 N ATOM 302 CA THR A 22 8.406 5.191 -0.104 1.00 0.00 C ATOM 303 C THR A 22 7.917 5.849 -1.390 1.00 0.00 C ATOM 304 O THR A 22 8.478 5.630 -2.463 1.00 0.00 O ATOM 305 CB THR A 22 9.943 5.111 -0.134 1.00 0.00 C ATOM 306 OG1 THR A 22 10.405 4.191 0.861 1.00 0.00 O ATOM 307 CG2 THR A 22 10.562 6.480 0.107 1.00 0.00 C ATOM 0 H THR A 22 8.325 3.113 -0.368 1.00 0.00 H new ATOM 0 HA THR A 22 8.099 5.794 0.750 1.00 0.00 H new ATOM 0 HB THR A 22 10.247 4.762 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.384 4.145 0.834 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.649 6.398 0.081 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.232 7.170 -0.669 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.250 6.854 1.082 1.00 0.00 H new ATOM 315 N VAL A 23 6.868 6.657 -1.274 1.00 0.00 N ATOM 316 CA VAL A 23 6.305 7.348 -2.428 1.00 0.00 C ATOM 317 C VAL A 23 5.954 8.792 -2.086 1.00 0.00 C ATOM 318 O VAL A 23 5.335 9.065 -1.057 1.00 0.00 O ATOM 319 CB VAL A 23 5.043 6.635 -2.949 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.365 7.468 -4.028 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.393 5.251 -3.475 1.00 0.00 C ATOM 0 H VAL A 23 6.391 6.849 -0.393 1.00 0.00 H new ATOM 0 HA VAL A 23 7.068 7.336 -3.207 1.00 0.00 H new ATOM 0 HB VAL A 23 4.344 6.519 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.476 6.948 -4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.079 8.435 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.054 7.618 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.490 4.761 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.110 5.342 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.830 4.657 -2.673 1.00 0.00 H new ATOM 331 N ASP A 24 6.353 9.714 -2.955 1.00 0.00 N ATOM 332 CA ASP A 24 6.080 11.132 -2.747 1.00 0.00 C ATOM 333 C ASP A 24 4.622 11.352 -2.356 1.00 0.00 C ATOM 334 O ASP A 24 3.716 10.669 -2.834 1.00 0.00 O ATOM 335 CB ASP A 24 6.409 11.927 -4.010 1.00 0.00 C ATOM 336 CG ASP A 24 7.899 12.139 -4.191 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.598 12.323 -3.174 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.365 12.120 -5.350 1.00 0.00 O ATOM 0 H ASP A 24 6.867 9.505 -3.811 1.00 0.00 H new ATOM 0 HA ASP A 24 6.713 11.484 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.012 11.403 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.910 12.895 -3.966 1.00 0.00 H new ATOM 343 N PRO A 25 4.388 12.327 -1.466 1.00 0.00 N ATOM 344 CA PRO A 25 3.041 12.660 -0.991 1.00 0.00 C ATOM 345 C PRO A 25 2.190 13.311 -2.074 1.00 0.00 C ATOM 346 O PRO A 25 1.019 13.622 -1.855 1.00 0.00 O ATOM 347 CB PRO A 25 3.302 13.647 0.150 1.00 0.00 C ATOM 348 CG PRO A 25 4.623 14.256 -0.170 1.00 0.00 C ATOM 349 CD PRO A 25 5.420 13.181 -0.854 1.00 0.00 C ATOM 0 HA PRO A 25 2.485 11.773 -0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.520 14.404 0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.323 13.140 1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.505 15.126 -0.817 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.125 14.597 0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.094 13.596 -1.603 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.034 12.624 -0.146 1.00 0.00 H new ATOM 357 N LYS A 26 2.783 13.514 -3.246 1.00 0.00 N ATOM 358 CA LYS A 26 2.078 14.127 -4.366 1.00 0.00 C ATOM 359 C LYS A 26 1.224 13.098 -5.100 1.00 0.00 C ATOM 360 O LYS A 26 0.151 13.418 -5.611 1.00 0.00 O ATOM 361 CB LYS A 26 3.076 14.763 -5.336 1.00 0.00 C ATOM 362 CG LYS A 26 3.551 13.818 -6.427 1.00 0.00 C ATOM 363 CD LYS A 26 4.518 14.504 -7.376 1.00 0.00 C ATOM 364 CE LYS A 26 5.957 14.357 -6.908 1.00 0.00 C ATOM 365 NZ LYS A 26 6.814 15.477 -7.389 1.00 0.00 N ATOM 0 H LYS A 26 3.751 13.263 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 26 1.421 14.902 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.615 15.636 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.939 15.119 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.036 12.953 -5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.693 13.446 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.414 14.078 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.266 15.562 -7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.983 14.322 -5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.361 13.410 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.787 15.340 -7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.810 15.495 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.444 16.378 -7.025 1.00 0.00 H new ATOM 379 N TYR A 27 1.707 11.861 -5.148 1.00 0.00 N ATOM 380 CA TYR A 27 0.989 10.785 -5.820 1.00 0.00 C ATOM 381 C TYR A 27 0.030 10.087 -4.859 1.00 0.00 C ATOM 382 O TYR A 27 -0.888 9.385 -5.282 1.00 0.00 O ATOM 383 CB TYR A 27 1.974 9.771 -6.402 1.00 0.00 C ATOM 384 CG TYR A 27 3.065 10.399 -7.240 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.762 11.325 -8.230 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.400 10.067 -7.040 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.756 11.900 -8.998 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.400 10.639 -7.802 1.00 0.00 C ATOM 389 CZ TYR A 27 5.073 11.554 -8.781 1.00 0.00 C ATOM 390 OH TYR A 27 6.065 12.126 -9.542 1.00 0.00 O ATOM 0 H TYR A 27 2.593 11.579 -4.729 1.00 0.00 H new ATOM 0 HA TYR A 27 0.407 11.222 -6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.431 9.211 -5.586 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.426 9.054 -7.013 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.732 11.600 -8.402 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.660 9.350 -6.276 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.503 12.617 -9.765 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.432 10.371 -7.632 1.00 0.00 H new ATOM 0 HH TYR A 27 6.936 11.775 -9.261 1.00 0.00 H new ATOM 400 N HIS A 28 0.252 10.285 -3.564 1.00 0.00 N ATOM 401 CA HIS A 28 -0.590 9.676 -2.542 1.00 0.00 C ATOM 402 C HIS A 28 -2.068 9.861 -2.875 1.00 0.00 C ATOM 403 O HIS A 28 -2.818 8.899 -3.041 1.00 0.00 O ATOM 404 CB HIS A 28 -0.285 10.281 -1.171 1.00 0.00 C ATOM 405 CG HIS A 28 0.726 9.505 -0.386 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.734 8.698 -0.793 1.00 0.00 N flip ATOM 407 CD2 HIS A 28 0.770 9.504 0.993 1.00 0.00 C flip ATOM 408 CE1 HIS A 28 2.363 8.231 0.335 1.00 0.00 C flip ATOM 409 NE2 HIS A 28 1.762 8.733 1.400 1.00 0.00 N flip ATOM 0 H HIS A 28 1.008 10.863 -3.198 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.372 8.608 -2.516 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.076 11.301 -1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.209 10.343 -0.597 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.980 8.478 -1.758 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.098 10.049 1.639 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.211 7.562 0.350 1.00 0.00 H new ATOM 417 N PRO A 29 -2.499 11.128 -2.974 1.00 0.00 N ATOM 418 CA PRO A 29 -3.889 11.469 -3.287 1.00 0.00 C ATOM 419 C PRO A 29 -4.259 11.128 -4.727 1.00 0.00 C ATOM 420 O PRO A 29 -5.418 11.246 -5.126 1.00 0.00 O ATOM 421 CB PRO A 29 -3.942 12.984 -3.067 1.00 0.00 C ATOM 422 CG PRO A 29 -2.539 13.444 -3.272 1.00 0.00 C ATOM 423 CD PRO A 29 -1.661 12.325 -2.789 1.00 0.00 C ATOM 0 HA PRO A 29 -4.594 10.910 -2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.623 13.463 -3.771 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.296 13.227 -2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.350 13.662 -4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.344 14.361 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.738 12.262 -3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.377 12.459 -1.745 1.00 0.00 H new ATOM 431 N LYS A 30 -3.269 10.702 -5.503 1.00 0.00 N ATOM 432 CA LYS A 30 -3.489 10.340 -6.898 1.00 0.00 C ATOM 433 C LYS A 30 -3.768 8.847 -7.036 1.00 0.00 C ATOM 434 O LYS A 30 -4.372 8.407 -8.015 1.00 0.00 O ATOM 435 CB LYS A 30 -2.273 10.724 -7.745 1.00 0.00 C ATOM 436 CG LYS A 30 -2.024 12.220 -7.809 1.00 0.00 C ATOM 437 CD LYS A 30 -3.087 12.928 -8.633 1.00 0.00 C ATOM 438 CE LYS A 30 -3.045 14.433 -8.422 1.00 0.00 C ATOM 439 NZ LYS A 30 -1.848 15.049 -9.058 1.00 0.00 N ATOM 0 H LYS A 30 -2.304 10.599 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.360 10.888 -7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.388 10.234 -7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.411 10.344 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.011 12.631 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.042 12.408 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.939 12.703 -9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.072 12.549 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.948 14.883 -8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.041 14.650 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.856 16.076 -8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.986 14.638 -8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.865 14.864 -10.081 1.00 0.00 H new ATOM 453 N ILE A 31 -3.325 8.074 -6.050 1.00 0.00 N ATOM 454 CA ILE A 31 -3.529 6.631 -6.062 1.00 0.00 C ATOM 455 C ILE A 31 -4.871 6.261 -5.437 1.00 0.00 C ATOM 456 O ILE A 31 -5.529 5.315 -5.870 1.00 0.00 O ATOM 457 CB ILE A 31 -2.405 5.897 -5.307 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.037 6.329 -5.841 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.577 4.392 -5.433 1.00 0.00 C ATOM 460 CD1 ILE A 31 0.075 6.205 -4.823 1.00 0.00 C ATOM 0 H ILE A 31 -2.823 8.423 -5.233 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.518 6.319 -7.106 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.463 6.162 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.789 5.725 -6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.097 7.364 -6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.775 3.888 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.538 4.099 -5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.542 4.109 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.015 6.528 -5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.150 6.831 -3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.163 5.166 -4.505 1.00 0.00 H new ATOM 472 N ILE A 32 -5.270 7.014 -4.418 1.00 0.00 N ATOM 473 CA ILE A 32 -6.535 6.768 -3.736 1.00 0.00 C ATOM 474 C ILE A 32 -7.697 6.745 -4.723 1.00 0.00 C ATOM 475 O ILE A 32 -8.447 5.772 -4.793 1.00 0.00 O ATOM 476 CB ILE A 32 -6.811 7.833 -2.659 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.695 7.833 -1.612 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.160 7.584 -2.001 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.558 9.148 -0.875 1.00 0.00 C ATOM 0 H ILE A 32 -4.736 7.799 -4.046 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.450 5.793 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.836 8.812 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.885 7.039 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.749 7.599 -2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.341 8.345 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.946 7.629 -2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.161 6.599 -1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.748 9.075 -0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.337 9.943 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.490 9.374 -0.357 1.00 0.00 H new ATOM 491 N GLY A 33 -7.838 7.825 -5.487 1.00 0.00 N ATOM 492 CA GLY A 33 -8.910 7.908 -6.461 1.00 0.00 C ATOM 493 C GLY A 33 -10.006 8.865 -6.038 1.00 0.00 C ATOM 494 O GLY A 33 -10.050 9.298 -4.886 1.00 0.00 O ATOM 0 H GLY A 33 -7.229 8.643 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.502 8.229 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.336 6.916 -6.612 1.00 0.00 H new ATOM 498 N ARG A 34 -10.891 9.200 -6.971 1.00 0.00 N ATOM 499 CA ARG A 34 -11.991 10.115 -6.689 1.00 0.00 C ATOM 500 C ARG A 34 -12.831 9.611 -5.518 1.00 0.00 C ATOM 501 O ARG A 34 -12.812 10.191 -4.433 1.00 0.00 O ATOM 502 CB ARG A 34 -12.872 10.284 -7.927 1.00 0.00 C ATOM 503 CG ARG A 34 -13.796 11.489 -7.857 1.00 0.00 C ATOM 504 CD ARG A 34 -15.077 11.165 -7.105 1.00 0.00 C ATOM 505 NE ARG A 34 -16.073 12.224 -7.237 1.00 0.00 N ATOM 506 CZ ARG A 34 -16.104 13.306 -6.468 1.00 0.00 C ATOM 507 NH1 ARG A 34 -15.198 13.471 -5.515 1.00 0.00 N ATOM 508 NH2 ARG A 34 -17.042 14.225 -6.651 1.00 0.00 N ATOM 0 H ARG A 34 -10.868 8.851 -7.929 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.566 11.082 -6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.235 10.376 -8.806 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.472 9.384 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.282 12.315 -7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.039 11.822 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.491 10.229 -7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.849 11.012 -6.050 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.785 12.127 -7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.475 12.766 -5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -15.224 14.303 -4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.741 14.101 -7.383 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.064 15.056 -6.059 1.00 0.00 H new ATOM 522 N LYS A 35 -13.567 8.529 -5.748 1.00 0.00 N ATOM 523 CA LYS A 35 -14.413 7.946 -4.714 1.00 0.00 C ATOM 524 C LYS A 35 -13.628 6.949 -3.867 1.00 0.00 C ATOM 525 O LYS A 35 -14.209 6.160 -3.122 1.00 0.00 O ATOM 526 CB LYS A 35 -15.622 7.253 -5.347 1.00 0.00 C ATOM 527 CG LYS A 35 -16.848 7.232 -4.451 1.00 0.00 C ATOM 528 CD LYS A 35 -17.723 6.022 -4.731 1.00 0.00 C ATOM 529 CE LYS A 35 -18.906 5.956 -3.777 1.00 0.00 C ATOM 530 NZ LYS A 35 -18.541 5.312 -2.484 1.00 0.00 N ATOM 0 H LYS A 35 -13.595 8.038 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.761 8.751 -4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.873 7.758 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.351 6.229 -5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.536 7.223 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.426 8.143 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.085 6.063 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.129 5.113 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.277 6.963 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.718 5.399 -4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.374 5.286 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.210 4.342 -2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.783 5.858 -2.026 1.00 0.00 H new ATOM 544 N GLY A 36 -12.305 6.991 -3.984 1.00 0.00 N ATOM 545 CA GLY A 36 -11.462 6.089 -3.222 1.00 0.00 C ATOM 546 C GLY A 36 -11.728 4.632 -3.550 1.00 0.00 C ATOM 547 O GLY A 36 -11.438 3.745 -2.749 1.00 0.00 O ATOM 0 H GLY A 36 -11.801 7.635 -4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.415 6.318 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.627 6.255 -2.157 1.00 0.00 H new ATOM 551 N ALA A 37 -12.283 4.386 -4.733 1.00 0.00 N ATOM 552 CA ALA A 37 -12.588 3.028 -5.165 1.00 0.00 C ATOM 553 C ALA A 37 -11.335 2.317 -5.665 1.00 0.00 C ATOM 554 O ALA A 37 -11.205 1.100 -5.533 1.00 0.00 O ATOM 555 CB ALA A 37 -13.654 3.046 -6.250 1.00 0.00 C ATOM 0 H ALA A 37 -12.530 5.109 -5.408 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.969 2.477 -4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.872 2.025 -6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.562 3.508 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.294 3.618 -7.105 1.00 0.00 H new ATOM 561 N VAL A 38 -10.414 3.084 -6.240 1.00 0.00 N ATOM 562 CA VAL A 38 -9.171 2.528 -6.760 1.00 0.00 C ATOM 563 C VAL A 38 -8.405 1.784 -5.672 1.00 0.00 C ATOM 564 O VAL A 38 -8.285 0.559 -5.710 1.00 0.00 O ATOM 565 CB VAL A 38 -8.267 3.627 -7.349 1.00 0.00 C ATOM 566 CG1 VAL A 38 -6.948 3.036 -7.826 1.00 0.00 C ATOM 567 CG2 VAL A 38 -8.977 4.351 -8.482 1.00 0.00 C ATOM 0 H VAL A 38 -10.506 4.093 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.443 1.830 -7.551 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.050 4.353 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.323 3.828 -8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.434 2.568 -6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.141 2.288 -8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.323 5.124 -8.886 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.227 3.639 -9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.891 4.810 -8.104 1.00 0.00 H new ATOM 577 N ILE A 39 -7.889 2.531 -4.703 1.00 0.00 N ATOM 578 CA ILE A 39 -7.135 1.943 -3.602 1.00 0.00 C ATOM 579 C ILE A 39 -7.915 0.806 -2.949 1.00 0.00 C ATOM 580 O ILE A 39 -7.351 -0.235 -2.610 1.00 0.00 O ATOM 581 CB ILE A 39 -6.788 2.994 -2.532 1.00 0.00 C ATOM 582 CG1 ILE A 39 -5.957 2.359 -1.414 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.056 3.616 -1.969 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.532 2.053 -1.819 1.00 0.00 C ATOM 0 H ILE A 39 -7.979 3.546 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.211 1.551 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.196 3.783 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.946 3.030 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.441 1.437 -1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.794 4.357 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.612 4.098 -2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.672 2.839 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.003 1.605 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.534 1.358 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.031 2.975 -2.113 1.00 0.00 H new ATOM 596 N THR A 40 -9.217 1.012 -2.776 1.00 0.00 N ATOM 597 CA THR A 40 -10.075 0.005 -2.164 1.00 0.00 C ATOM 598 C THR A 40 -10.003 -1.314 -2.925 1.00 0.00 C ATOM 599 O THR A 40 -9.745 -2.365 -2.339 1.00 0.00 O ATOM 600 CB THR A 40 -11.540 0.475 -2.109 1.00 0.00 C ATOM 601 OG1 THR A 40 -11.640 1.684 -1.349 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.429 -0.594 -1.490 1.00 0.00 C ATOM 0 H THR A 40 -9.700 1.867 -3.051 1.00 0.00 H new ATOM 0 HA THR A 40 -9.712 -0.146 -1.147 1.00 0.00 H new ATOM 0 HB THR A 40 -11.877 0.660 -3.129 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.025 2.391 -1.908 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.459 -0.239 -1.462 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.375 -1.504 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.091 -0.806 -0.476 1.00 0.00 H new ATOM 610 N GLN A 41 -10.235 -1.251 -4.232 1.00 0.00 N ATOM 611 CA GLN A 41 -10.196 -2.442 -5.072 1.00 0.00 C ATOM 612 C GLN A 41 -8.930 -3.252 -4.812 1.00 0.00 C ATOM 613 O GLN A 41 -8.948 -4.482 -4.859 1.00 0.00 O ATOM 614 CB GLN A 41 -10.272 -2.053 -6.549 1.00 0.00 C ATOM 615 CG GLN A 41 -10.384 -3.244 -7.488 1.00 0.00 C ATOM 616 CD GLN A 41 -11.623 -4.077 -7.227 1.00 0.00 C ATOM 617 OE1 GLN A 41 -12.673 -3.552 -6.857 1.00 0.00 O ATOM 618 NE2 GLN A 41 -11.507 -5.386 -7.420 1.00 0.00 N ATOM 0 H GLN A 41 -10.452 -0.389 -4.732 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.058 -3.060 -4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.131 -1.400 -6.700 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.384 -1.477 -6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.400 -2.889 -8.519 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.499 -3.872 -7.380 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.617 -5.779 -7.727 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.307 -5.998 -7.261 1.00 0.00 H new ATOM 627 N ILE A 42 -7.833 -2.553 -4.539 1.00 0.00 N ATOM 628 CA ILE A 42 -6.558 -3.207 -4.270 1.00 0.00 C ATOM 629 C ILE A 42 -6.512 -3.758 -2.850 1.00 0.00 C ATOM 630 O ILE A 42 -5.965 -4.834 -2.608 1.00 0.00 O ATOM 631 CB ILE A 42 -5.377 -2.242 -4.473 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.334 -1.750 -5.922 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.068 -2.920 -4.100 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.622 -0.426 -6.090 1.00 0.00 C ATOM 0 H ILE A 42 -7.802 -1.534 -4.498 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.470 -4.030 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.516 -1.380 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.838 -2.501 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.354 -1.655 -6.295 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.242 -2.224 -4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.101 -3.225 -3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.921 -3.798 -4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.630 -0.139 -7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.131 0.338 -5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.591 -0.521 -5.748 1.00 0.00 H new ATOM 646 N ARG A 43 -7.091 -3.015 -1.912 1.00 0.00 N ATOM 647 CA ARG A 43 -7.116 -3.429 -0.515 1.00 0.00 C ATOM 648 C ARG A 43 -7.840 -4.763 -0.357 1.00 0.00 C ATOM 649 O ARG A 43 -7.447 -5.603 0.454 1.00 0.00 O ATOM 650 CB ARG A 43 -7.798 -2.362 0.344 1.00 0.00 C ATOM 651 CG ARG A 43 -6.880 -1.215 0.733 1.00 0.00 C ATOM 652 CD ARG A 43 -7.668 -0.018 1.239 1.00 0.00 C ATOM 653 NE ARG A 43 -7.963 -0.121 2.666 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.657 0.789 3.340 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.124 1.864 2.721 1.00 0.00 N ATOM 656 NH2 ARG A 43 -8.885 0.624 4.637 1.00 0.00 N ATOM 0 H ARG A 43 -7.549 -2.122 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.086 -3.551 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.654 -1.963 -0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.185 -2.829 1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.187 -1.548 1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.280 -0.920 -0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.102 0.894 1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.601 0.064 0.681 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.617 -0.936 3.172 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.951 1.994 1.724 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.657 2.561 3.241 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.527 -0.202 5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.418 1.323 5.154 1.00 0.00 H new ATOM 670 N LEU A 44 -8.898 -4.952 -1.136 1.00 0.00 N ATOM 671 CA LEU A 44 -9.679 -6.184 -1.082 1.00 0.00 C ATOM 672 C LEU A 44 -9.020 -7.282 -1.912 1.00 0.00 C ATOM 673 O LEU A 44 -8.947 -8.434 -1.487 1.00 0.00 O ATOM 674 CB LEU A 44 -11.101 -5.933 -1.586 1.00 0.00 C ATOM 675 CG LEU A 44 -12.056 -5.269 -0.595 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.357 -4.883 -1.283 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.327 -6.191 0.585 1.00 0.00 C ATOM 0 H LEU A 44 -9.236 -4.268 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.721 -6.513 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.044 -5.310 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.531 -6.887 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.585 -4.361 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -14.024 -4.412 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.147 -4.185 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.833 -5.776 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.009 -5.701 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.777 -7.117 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.390 -6.416 1.094 1.00 0.00 H new ATOM 689 N GLU A 45 -8.540 -6.915 -3.096 1.00 0.00 N ATOM 690 CA GLU A 45 -7.885 -7.869 -3.983 1.00 0.00 C ATOM 691 C GLU A 45 -6.839 -8.684 -3.229 1.00 0.00 C ATOM 692 O GLU A 45 -6.867 -9.916 -3.244 1.00 0.00 O ATOM 693 CB GLU A 45 -7.230 -7.139 -5.158 1.00 0.00 C ATOM 694 CG GLU A 45 -6.570 -8.071 -6.161 1.00 0.00 C ATOM 695 CD GLU A 45 -7.556 -8.646 -7.160 1.00 0.00 C ATOM 696 OE1 GLU A 45 -8.222 -9.649 -6.825 1.00 0.00 O ATOM 697 OE2 GLU A 45 -7.662 -8.095 -8.274 1.00 0.00 O ATOM 0 H GLU A 45 -8.592 -5.965 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.644 -8.551 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.985 -6.543 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.483 -6.445 -4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.790 -7.529 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.082 -8.887 -5.627 1.00 0.00 H new ATOM 704 N HIS A 46 -5.916 -7.990 -2.571 1.00 0.00 N ATOM 705 CA HIS A 46 -4.861 -8.649 -1.810 1.00 0.00 C ATOM 706 C HIS A 46 -5.308 -8.911 -0.376 1.00 0.00 C ATOM 707 O HIS A 46 -4.583 -9.522 0.409 1.00 0.00 O ATOM 708 CB HIS A 46 -3.592 -7.795 -1.814 1.00 0.00 C ATOM 709 CG HIS A 46 -3.251 -7.235 -3.160 1.00 0.00 C ATOM 710 ND1 HIS A 46 -3.200 -5.956 -3.600 1.00 0.00 N flip ATOM 711 CD2 HIS A 46 -2.911 -8.023 -4.239 1.00 0.00 C flip ATOM 712 CE1 HIS A 46 -2.833 -5.994 -4.922 1.00 0.00 C flip ATOM 713 NE2 HIS A 46 -2.664 -7.253 -5.284 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.877 -6.971 -2.550 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.647 -9.606 -2.285 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.715 -6.973 -1.108 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.757 -8.398 -1.459 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.855 -9.102 -4.231 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.703 -5.134 -5.562 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.390 -7.576 -6.212 1.00 0.00 H new ATOM 721 N ASP A 47 -6.505 -8.445 -0.040 1.00 0.00 N ATOM 722 CA ASP A 47 -7.049 -8.630 1.301 1.00 0.00 C ATOM 723 C ASP A 47 -6.148 -7.981 2.347 1.00 0.00 C ATOM 724 O ASP A 47 -5.915 -8.545 3.417 1.00 0.00 O ATOM 725 CB ASP A 47 -7.216 -10.119 1.606 1.00 0.00 C ATOM 726 CG ASP A 47 -8.283 -10.379 2.651 1.00 0.00 C ATOM 727 OD1 ASP A 47 -9.477 -10.191 2.339 1.00 0.00 O ATOM 728 OD2 ASP A 47 -7.924 -10.771 3.782 1.00 0.00 O ATOM 0 H ASP A 47 -7.118 -7.936 -0.677 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.026 -8.148 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.473 -10.648 0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.266 -10.525 1.952 1.00 0.00 H new ATOM 733 N VAL A 48 -5.641 -6.794 2.031 1.00 0.00 N ATOM 734 CA VAL A 48 -4.765 -6.069 2.943 1.00 0.00 C ATOM 735 C VAL A 48 -5.340 -4.698 3.284 1.00 0.00 C ATOM 736 O VAL A 48 -6.340 -4.273 2.708 1.00 0.00 O ATOM 737 CB VAL A 48 -3.357 -5.889 2.345 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.751 -7.238 1.991 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.409 -4.982 1.124 1.00 0.00 C ATOM 0 H VAL A 48 -5.822 -6.314 1.150 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.692 -6.665 3.852 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.721 -5.417 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.756 -7.091 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.678 -7.851 2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.384 -7.741 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.406 -4.866 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.060 -5.424 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.799 -4.006 1.412 1.00 0.00 H new ATOM 749 N ASN A 49 -4.699 -4.011 4.222 1.00 0.00 N ATOM 750 CA ASN A 49 -5.146 -2.687 4.641 1.00 0.00 C ATOM 751 C ASN A 49 -4.109 -1.625 4.289 1.00 0.00 C ATOM 752 O ASN A 49 -2.962 -1.692 4.735 1.00 0.00 O ATOM 753 CB ASN A 49 -5.419 -2.669 6.146 1.00 0.00 C ATOM 754 CG ASN A 49 -5.955 -1.333 6.621 1.00 0.00 C ATOM 755 OD1 ASN A 49 -6.920 -0.806 6.067 1.00 0.00 O ATOM 756 ND2 ASN A 49 -5.330 -0.778 7.654 1.00 0.00 N ATOM 0 H ASN A 49 -3.868 -4.348 4.707 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.069 -2.459 4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.135 -3.453 6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.498 -2.899 6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.646 0.121 8.019 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.534 -1.251 8.082 1.00 0.00 H new ATOM 763 N ILE A 50 -4.517 -0.648 3.487 1.00 0.00 N ATOM 764 CA ILE A 50 -3.624 0.428 3.077 1.00 0.00 C ATOM 765 C ILE A 50 -4.040 1.755 3.701 1.00 0.00 C ATOM 766 O ILE A 50 -5.126 2.266 3.430 1.00 0.00 O ATOM 767 CB ILE A 50 -3.593 0.580 1.545 1.00 0.00 C ATOM 768 CG1 ILE A 50 -3.076 -0.703 0.892 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.729 1.768 1.148 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.338 -0.773 -0.596 1.00 0.00 C ATOM 0 H ILE A 50 -5.461 -0.579 3.108 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.627 0.162 3.427 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.609 0.760 1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.003 -0.783 1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.543 -1.561 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.717 1.862 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.138 2.678 1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.712 1.616 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.944 -1.709 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.411 -0.725 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.847 0.065 -1.092 1.00 0.00 H new ATOM 782 N GLN A 51 -3.167 2.309 4.536 1.00 0.00 N ATOM 783 CA GLN A 51 -3.443 3.579 5.197 1.00 0.00 C ATOM 784 C GLN A 51 -2.375 4.613 4.861 1.00 0.00 C ATOM 785 O GLN A 51 -1.179 4.353 4.999 1.00 0.00 O ATOM 786 CB GLN A 51 -3.520 3.382 6.713 1.00 0.00 C ATOM 787 CG GLN A 51 -4.072 4.589 7.456 1.00 0.00 C ATOM 788 CD GLN A 51 -5.585 4.666 7.402 1.00 0.00 C ATOM 789 OE1 GLN A 51 -6.153 5.362 6.562 1.00 0.00 O ATOM 790 NE2 GLN A 51 -6.246 3.947 8.302 1.00 0.00 N ATOM 0 H GLN A 51 -2.263 1.899 4.771 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.403 3.946 4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.146 2.516 6.927 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.524 3.156 7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.751 4.548 8.497 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.650 5.498 7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.734 3.384 8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.266 3.958 8.315 1.00 0.00 H new ATOM 799 N PHE A 52 -2.813 5.787 4.417 1.00 0.00 N ATOM 800 CA PHE A 52 -1.892 6.860 4.058 1.00 0.00 C ATOM 801 C PHE A 52 -1.694 7.819 5.227 1.00 0.00 C ATOM 802 O PHE A 52 -2.578 8.011 6.063 1.00 0.00 O ATOM 803 CB PHE A 52 -2.417 7.623 2.840 1.00 0.00 C ATOM 804 CG PHE A 52 -2.634 6.754 1.635 1.00 0.00 C ATOM 805 CD1 PHE A 52 -1.605 6.522 0.737 1.00 0.00 C ATOM 806 CD2 PHE A 52 -3.867 6.168 1.400 1.00 0.00 C ATOM 807 CE1 PHE A 52 -1.801 5.722 -0.373 1.00 0.00 C ATOM 808 CE2 PHE A 52 -4.069 5.367 0.292 1.00 0.00 C ATOM 809 CZ PHE A 52 -3.035 5.144 -0.596 1.00 0.00 C ATOM 0 H PHE A 52 -3.799 6.019 4.297 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.929 6.413 3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.358 8.107 3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.712 8.414 2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.638 6.972 0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.680 6.339 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.990 5.549 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.035 4.916 0.121 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.191 4.519 -1.463 1.00 0.00 H new ATOM 819 N PRO A 53 -0.505 8.437 5.290 1.00 0.00 N ATOM 820 CA PRO A 53 -0.162 9.387 6.352 1.00 0.00 C ATOM 821 C PRO A 53 -0.944 10.692 6.238 1.00 0.00 C ATOM 822 O PRO A 53 -1.501 11.003 5.186 1.00 0.00 O ATOM 823 CB PRO A 53 1.332 9.640 6.132 1.00 0.00 C ATOM 824 CG PRO A 53 1.557 9.356 4.687 1.00 0.00 C ATOM 825 CD PRO A 53 0.595 8.257 4.327 1.00 0.00 C ATOM 0 HA PRO A 53 -0.402 8.996 7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.600 10.667 6.380 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.940 8.991 6.762 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.378 10.245 4.082 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.587 9.048 4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.247 8.349 3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.055 7.273 4.422 1.00 0.00 H new ATOM 833 N ASP A 54 -0.982 11.450 7.328 1.00 0.00 N ATOM 834 CA ASP A 54 -1.695 12.722 7.351 1.00 0.00 C ATOM 835 C ASP A 54 -0.718 13.892 7.408 1.00 0.00 C ATOM 836 O ASP A 54 0.183 13.923 8.247 1.00 0.00 O ATOM 837 CB ASP A 54 -2.645 12.777 8.548 1.00 0.00 C ATOM 838 CG ASP A 54 -3.868 13.631 8.278 1.00 0.00 C ATOM 839 OD1 ASP A 54 -3.698 14.829 7.967 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.995 13.103 8.376 1.00 0.00 O ATOM 0 H ASP A 54 -0.527 11.206 8.208 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.276 12.801 6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.961 11.766 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.113 13.173 9.413 1.00 0.00 H new ATOM 845 N LYS A 55 -0.900 14.853 6.508 1.00 0.00 N ATOM 846 CA LYS A 55 -0.035 16.026 6.455 1.00 0.00 C ATOM 847 C LYS A 55 -0.232 16.903 7.687 1.00 0.00 C ATOM 848 O LYS A 55 0.553 17.817 7.941 1.00 0.00 O ATOM 849 CB LYS A 55 -0.320 16.837 5.188 1.00 0.00 C ATOM 850 CG LYS A 55 -1.631 17.603 5.238 1.00 0.00 C ATOM 851 CD LYS A 55 -2.787 16.762 4.723 1.00 0.00 C ATOM 852 CE LYS A 55 -3.957 17.631 4.288 1.00 0.00 C ATOM 853 NZ LYS A 55 -4.874 17.935 5.422 1.00 0.00 N ATOM 0 H LYS A 55 -1.639 14.842 5.805 1.00 0.00 H new ATOM 0 HA LYS A 55 1.000 15.684 6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.496 17.541 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.335 16.163 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.834 17.913 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.546 18.511 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.451 16.155 3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.113 16.074 5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.580 18.563 3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.512 17.124 3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.492 18.731 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.455 17.099 5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.315 18.188 6.262 1.00 0.00 H new ATOM 867 N ASP A 56 -1.282 16.618 8.449 1.00 0.00 N ATOM 868 CA ASP A 56 -1.579 17.380 9.657 1.00 0.00 C ATOM 869 C ASP A 56 -0.638 16.990 10.791 1.00 0.00 C ATOM 870 O ASP A 56 -0.270 17.822 11.620 1.00 0.00 O ATOM 871 CB ASP A 56 -3.032 17.155 10.083 1.00 0.00 C ATOM 872 CG ASP A 56 -3.983 18.143 9.437 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.628 18.707 8.381 1.00 0.00 O ATOM 874 OD2 ASP A 56 -5.084 18.352 9.988 1.00 0.00 O ATOM 0 H ASP A 56 -1.942 15.865 8.252 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.432 18.437 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.332 16.141 9.820 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.107 17.238 11.167 1.00 0.00 H new ATOM 879 N ASP A 57 -0.252 15.718 10.822 1.00 0.00 N ATOM 880 CA ASP A 57 0.647 15.217 11.855 1.00 0.00 C ATOM 881 C ASP A 57 2.035 15.833 11.712 1.00 0.00 C ATOM 882 O ASP A 57 2.672 16.191 12.702 1.00 0.00 O ATOM 883 CB ASP A 57 0.742 13.692 11.783 1.00 0.00 C ATOM 884 CG ASP A 57 1.021 13.065 13.134 1.00 0.00 C ATOM 885 OD1 ASP A 57 2.108 13.323 13.695 1.00 0.00 O ATOM 886 OD2 ASP A 57 0.154 12.318 13.632 1.00 0.00 O ATOM 0 H ASP A 57 -0.548 15.016 10.144 1.00 0.00 H new ATOM 0 HA ASP A 57 0.241 15.502 12.825 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.190 13.291 11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.532 13.413 11.086 1.00 0.00 H new ATOM 891 N GLY A 58 2.500 15.952 10.472 1.00 0.00 N ATOM 892 CA GLY A 58 3.811 16.522 10.222 1.00 0.00 C ATOM 893 C GLY A 58 4.936 15.604 10.654 1.00 0.00 C ATOM 894 O GLY A 58 5.625 15.020 9.820 1.00 0.00 O ATOM 0 H GLY A 58 1.992 15.664 9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.912 16.739 9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.898 17.471 10.751 1.00 0.00 H new ATOM 898 N ASN A 59 5.123 15.477 11.965 1.00 0.00 N ATOM 899 CA ASN A 59 6.174 14.624 12.507 1.00 0.00 C ATOM 900 C ASN A 59 6.263 13.312 11.734 1.00 0.00 C ATOM 901 O ASN A 59 7.354 12.788 11.505 1.00 0.00 O ATOM 902 CB ASN A 59 5.915 14.339 13.988 1.00 0.00 C ATOM 903 CG ASN A 59 6.501 15.406 14.893 1.00 0.00 C ATOM 904 OD1 ASN A 59 7.269 15.108 15.807 1.00 0.00 O ATOM 905 ND2 ASN A 59 6.138 16.659 14.641 1.00 0.00 N ATOM 0 H ASN A 59 4.561 15.954 12.670 1.00 0.00 H new ATOM 0 HA ASN A 59 7.123 15.150 12.405 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.841 14.271 14.160 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.342 13.371 14.249 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.499 17.420 15.216 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.498 16.860 13.872 1.00 0.00 H new ATOM 912 N GLN A 60 5.110 12.788 11.332 1.00 0.00 N ATOM 913 CA GLN A 60 5.059 11.537 10.585 1.00 0.00 C ATOM 914 C GLN A 60 5.333 11.777 9.104 1.00 0.00 C ATOM 915 O GLN A 60 5.042 12.841 8.558 1.00 0.00 O ATOM 916 CB GLN A 60 3.694 10.869 10.761 1.00 0.00 C ATOM 917 CG GLN A 60 3.332 10.598 12.212 1.00 0.00 C ATOM 918 CD GLN A 60 2.027 9.840 12.357 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.964 10.373 11.765 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 1.975 8.787 12.993 1.00 0.00 N flip ATOM 0 H GLN A 60 4.199 13.210 11.511 1.00 0.00 H new ATOM 0 HA GLN A 60 5.832 10.876 10.977 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.928 11.504 10.317 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.686 9.928 10.211 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.133 10.027 12.682 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.259 11.545 12.747 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.817 8.414 13.432 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.090 8.288 13.081 1.00 0.00 H new ATOM 929 N PRO A 61 5.908 10.765 8.437 1.00 0.00 N ATOM 930 CA PRO A 61 6.234 10.842 7.010 1.00 0.00 C ATOM 931 C PRO A 61 4.988 10.844 6.130 1.00 0.00 C ATOM 932 O PRO A 61 4.095 10.016 6.301 1.00 0.00 O ATOM 933 CB PRO A 61 7.058 9.575 6.765 1.00 0.00 C ATOM 934 CG PRO A 61 6.615 8.625 7.823 1.00 0.00 C ATOM 935 CD PRO A 61 6.282 9.468 9.024 1.00 0.00 C ATOM 0 HA PRO A 61 6.760 11.764 6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.876 9.171 5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.127 9.778 6.837 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.747 8.053 7.495 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.401 7.907 8.056 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.464 9.038 9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.134 9.562 9.697 1.00 0.00 H new ATOM 943 N GLN A 62 4.938 11.780 5.187 1.00 0.00 N ATOM 944 CA GLN A 62 3.801 11.889 4.281 1.00 0.00 C ATOM 945 C GLN A 62 4.028 11.061 3.020 1.00 0.00 C ATOM 946 O GLN A 62 3.081 10.715 2.314 1.00 0.00 O ATOM 947 CB GLN A 62 3.559 13.352 3.906 1.00 0.00 C ATOM 948 CG GLN A 62 3.310 14.254 5.104 1.00 0.00 C ATOM 949 CD GLN A 62 2.403 13.614 6.137 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.276 13.221 5.832 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.891 13.505 7.367 1.00 0.00 N ATOM 0 H GLN A 62 5.670 12.472 5.031 1.00 0.00 H new ATOM 0 HA GLN A 62 2.921 11.502 4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.422 13.725 3.354 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.702 13.409 3.234 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.263 14.506 5.569 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.864 15.189 4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.830 13.844 7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.327 13.082 8.104 1.00 0.00 H new ATOM 960 N ASP A 63 5.289 10.746 2.744 1.00 0.00 N ATOM 961 CA ASP A 63 5.640 9.957 1.569 1.00 0.00 C ATOM 962 C ASP A 63 5.597 8.464 1.885 1.00 0.00 C ATOM 963 O ASP A 63 5.542 7.631 0.980 1.00 0.00 O ATOM 964 CB ASP A 63 7.032 10.344 1.066 1.00 0.00 C ATOM 965 CG ASP A 63 8.138 9.612 1.800 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.471 8.480 1.393 1.00 0.00 O ATOM 967 OD2 ASP A 63 8.669 10.172 2.783 1.00 0.00 O ATOM 0 H ASP A 63 6.085 11.025 3.318 1.00 0.00 H new ATOM 0 HA ASP A 63 4.909 10.167 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.103 10.128 -0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.172 11.419 1.183 1.00 0.00 H new ATOM 972 N GLN A 64 5.623 8.136 3.172 1.00 0.00 N ATOM 973 CA GLN A 64 5.589 6.744 3.605 1.00 0.00 C ATOM 974 C GLN A 64 4.153 6.240 3.704 1.00 0.00 C ATOM 975 O GLN A 64 3.280 6.924 4.239 1.00 0.00 O ATOM 976 CB GLN A 64 6.291 6.590 4.956 1.00 0.00 C ATOM 977 CG GLN A 64 7.807 6.634 4.862 1.00 0.00 C ATOM 978 CD GLN A 64 8.415 5.269 4.607 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.896 4.608 5.528 1.00 0.00 O ATOM 980 NE2 GLN A 64 8.399 4.839 3.350 1.00 0.00 N ATOM 0 H GLN A 64 5.667 8.814 3.933 1.00 0.00 H new ATOM 0 HA GLN A 64 6.114 6.145 2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.954 7.383 5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.990 5.644 5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.098 7.313 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.213 7.041 5.788 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.990 5.419 2.618 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.796 3.928 3.117 1.00 0.00 H new ATOM 989 N ILE A 65 3.915 5.039 3.187 1.00 0.00 N ATOM 990 CA ILE A 65 2.585 4.444 3.217 1.00 0.00 C ATOM 991 C ILE A 65 2.579 3.153 4.029 1.00 0.00 C ATOM 992 O ILE A 65 3.245 2.180 3.674 1.00 0.00 O ATOM 993 CB ILE A 65 2.068 4.147 1.798 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.288 5.357 0.888 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.594 3.771 1.840 1.00 0.00 C ATOM 996 CD1 ILE A 65 1.750 5.165 -0.513 1.00 0.00 C ATOM 0 H ILE A 65 4.626 4.459 2.742 1.00 0.00 H new ATOM 0 HA ILE A 65 1.925 5.171 3.690 1.00 0.00 H new ATOM 0 HB ILE A 65 2.627 3.304 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.811 6.229 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.355 5.570 0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.242 3.564 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.462 2.884 2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.020 4.596 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.941 6.062 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.245 4.313 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.676 4.982 -0.469 1.00 0.00 H new ATOM 1008 N THR A 66 1.822 3.150 5.121 1.00 0.00 N ATOM 1009 CA THR A 66 1.728 1.979 5.984 1.00 0.00 C ATOM 1010 C THR A 66 0.775 0.942 5.401 1.00 0.00 C ATOM 1011 O THR A 66 -0.256 1.288 4.823 1.00 0.00 O ATOM 1012 CB THR A 66 1.251 2.360 7.399 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.694 3.681 7.726 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.776 1.373 8.430 1.00 0.00 C ATOM 0 H THR A 66 1.264 3.946 5.429 1.00 0.00 H new ATOM 0 HA THR A 66 2.729 1.553 6.049 1.00 0.00 H new ATOM 0 HB THR A 66 0.162 2.330 7.412 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.385 3.916 8.626 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.427 1.662 9.421 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.412 0.373 8.194 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.866 1.376 8.414 1.00 0.00 H new ATOM 1022 N ILE A 67 1.125 -0.330 5.556 1.00 0.00 N ATOM 1023 CA ILE A 67 0.299 -1.418 5.047 1.00 0.00 C ATOM 1024 C ILE A 67 0.387 -2.644 5.949 1.00 0.00 C ATOM 1025 O ILE A 67 1.476 -3.148 6.228 1.00 0.00 O ATOM 1026 CB ILE A 67 0.711 -1.815 3.618 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.645 -0.601 2.689 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.181 -2.934 3.101 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.079 -0.901 1.271 1.00 0.00 C ATOM 0 H ILE A 67 1.976 -0.633 6.030 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.728 -1.054 5.033 1.00 0.00 H new ATOM 0 HB ILE A 67 1.739 -2.177 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.376 -0.220 2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.276 0.191 3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.123 -3.204 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.088 -3.804 3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.218 -2.598 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.007 0.005 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.110 -1.254 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.433 -1.670 0.848 1.00 0.00 H new ATOM 1041 N THR A 68 -0.768 -3.123 6.402 1.00 0.00 N ATOM 1042 CA THR A 68 -0.822 -4.291 7.272 1.00 0.00 C ATOM 1043 C THR A 68 -1.389 -5.499 6.535 1.00 0.00 C ATOM 1044 O THR A 68 -2.224 -5.358 5.643 1.00 0.00 O ATOM 1045 CB THR A 68 -1.677 -4.019 8.524 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.383 -2.719 9.046 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.419 -5.070 9.594 1.00 0.00 C ATOM 0 H THR A 68 -1.678 -2.720 6.180 1.00 0.00 H new ATOM 0 HA THR A 68 0.202 -4.504 7.580 1.00 0.00 H new ATOM 0 HB THR A 68 -2.727 -4.065 8.236 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.932 -2.554 9.841 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.034 -4.857 10.469 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.672 -6.056 9.204 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.367 -5.051 9.877 1.00 0.00 H new ATOM 1055 N GLY A 69 -0.931 -6.688 6.916 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.404 -7.903 6.280 1.00 0.00 C ATOM 1057 C GLY A 69 -0.292 -8.907 6.047 1.00 0.00 C ATOM 1058 O GLY A 69 0.859 -8.663 6.409 1.00 0.00 O ATOM 0 H GLY A 69 -0.241 -6.831 7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.176 -8.358 6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.869 -7.653 5.326 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.635 -10.037 5.441 1.00 0.00 N ATOM 1063 CA TYR A 70 0.342 -11.083 5.163 1.00 0.00 C ATOM 1064 C TYR A 70 1.550 -10.516 4.424 1.00 0.00 C ATOM 1065 O TYR A 70 1.413 -9.915 3.360 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.297 -12.201 4.339 1.00 0.00 C ATOM 1067 CG TYR A 70 -0.976 -13.261 5.177 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -2.055 -12.943 5.991 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -0.537 -14.579 5.155 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -2.678 -13.908 6.760 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -1.153 -15.550 5.919 1.00 0.00 C ATOM 1072 CZ TYR A 70 -2.224 -15.210 6.720 1.00 0.00 C ATOM 1073 OH TYR A 70 -2.841 -16.174 7.484 1.00 0.00 O ATOM 0 H TYR A 70 -1.583 -10.253 5.132 1.00 0.00 H new ATOM 0 HA TYR A 70 0.681 -11.492 6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.028 -11.766 3.657 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.471 -12.672 3.725 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.413 -11.925 6.024 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.301 -14.849 4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.516 -13.644 7.389 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.799 -16.570 5.890 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.400 -17.037 7.340 1.00 0.00 H new ATOM 1083 N GLU A 71 2.733 -10.715 4.997 1.00 0.00 N ATOM 1084 CA GLU A 71 3.966 -10.224 4.393 1.00 0.00 C ATOM 1085 C GLU A 71 3.936 -10.399 2.878 1.00 0.00 C ATOM 1086 O GLU A 71 4.602 -9.669 2.143 1.00 0.00 O ATOM 1087 CB GLU A 71 5.175 -10.958 4.979 1.00 0.00 C ATOM 1088 CG GLU A 71 6.443 -10.792 4.158 1.00 0.00 C ATOM 1089 CD GLU A 71 7.566 -11.691 4.635 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.597 -12.017 5.840 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.417 -12.071 3.802 1.00 0.00 O ATOM 0 H GLU A 71 2.863 -11.212 5.878 1.00 0.00 H new ATOM 0 HA GLU A 71 4.052 -9.161 4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.356 -10.593 5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.941 -12.019 5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.226 -11.011 3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.769 -9.753 4.205 1.00 0.00 H new ATOM 1098 N LYS A 72 3.159 -11.373 2.415 1.00 0.00 N ATOM 1099 CA LYS A 72 3.040 -11.646 0.987 1.00 0.00 C ATOM 1100 C LYS A 72 1.951 -10.784 0.358 1.00 0.00 C ATOM 1101 O LYS A 72 2.215 -10.001 -0.553 1.00 0.00 O ATOM 1102 CB LYS A 72 2.733 -13.126 0.754 1.00 0.00 C ATOM 1103 CG LYS A 72 3.916 -14.042 1.015 1.00 0.00 C ATOM 1104 CD LYS A 72 3.829 -15.316 0.190 1.00 0.00 C ATOM 1105 CE LYS A 72 2.827 -16.295 0.783 1.00 0.00 C ATOM 1106 NZ LYS A 72 2.754 -17.557 -0.004 1.00 0.00 N ATOM 0 H LYS A 72 2.602 -11.987 3.009 1.00 0.00 H new ATOM 0 HA LYS A 72 3.991 -11.400 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.906 -13.422 1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.400 -13.261 -0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.842 -13.518 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.954 -14.296 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.539 -15.070 -0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.811 -15.785 0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.107 -16.524 1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.842 -15.830 0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.061 -18.198 0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.462 -17.342 -0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.688 -18.014 -0.015 1.00 0.00 H new ATOM 1120 N ASN A 73 0.725 -10.933 0.851 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.404 -10.168 0.337 1.00 0.00 C ATOM 1122 C ASN A 73 -0.078 -8.678 0.296 1.00 0.00 C ATOM 1123 O ASN A 73 -0.493 -7.964 -0.618 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.644 -10.406 1.201 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.324 -11.724 0.886 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -2.029 -12.360 -0.126 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.240 -12.140 1.754 1.00 0.00 N ATOM 0 H ASN A 73 0.489 -11.577 1.606 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.607 -10.506 -0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.359 -10.390 2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.351 -9.590 1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.731 -13.020 1.595 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.452 -11.580 2.580 1.00 0.00 H new ATOM 1134 N THR A 74 0.670 -8.213 1.292 1.00 0.00 N ATOM 1135 CA THR A 74 1.052 -6.809 1.371 1.00 0.00 C ATOM 1136 C THR A 74 1.782 -6.367 0.107 1.00 0.00 C ATOM 1137 O THR A 74 1.325 -5.470 -0.602 1.00 0.00 O ATOM 1138 CB THR A 74 1.953 -6.539 2.591 1.00 0.00 C ATOM 1139 OG1 THR A 74 3.130 -7.353 2.520 1.00 0.00 O ATOM 1140 CG2 THR A 74 1.210 -6.827 3.886 1.00 0.00 C ATOM 0 H THR A 74 1.023 -8.789 2.056 1.00 0.00 H new ATOM 0 HA THR A 74 0.131 -6.236 1.476 1.00 0.00 H new ATOM 0 HB THR A 74 2.237 -5.487 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.525 -7.435 3.413 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.866 -6.629 4.734 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.330 -6.187 3.951 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.900 -7.872 3.903 1.00 0.00 H new ATOM 1148 N GLU A 75 2.916 -7.000 -0.168 1.00 0.00 N ATOM 1149 CA GLU A 75 3.709 -6.671 -1.348 1.00 0.00 C ATOM 1150 C GLU A 75 2.812 -6.473 -2.567 1.00 0.00 C ATOM 1151 O GLU A 75 2.817 -5.411 -3.190 1.00 0.00 O ATOM 1152 CB GLU A 75 4.732 -7.772 -1.627 1.00 0.00 C ATOM 1153 CG GLU A 75 5.626 -8.087 -0.439 1.00 0.00 C ATOM 1154 CD GLU A 75 6.974 -8.644 -0.855 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.886 -7.840 -1.136 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.115 -9.884 -0.899 1.00 0.00 O ATOM 0 H GLU A 75 3.308 -7.744 0.409 1.00 0.00 H new ATOM 0 HA GLU A 75 4.237 -5.738 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.205 -8.679 -1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.354 -7.473 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.777 -7.181 0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.124 -8.806 0.208 1.00 0.00 H new ATOM 1163 N ALA A 76 2.044 -7.504 -2.902 1.00 0.00 N ATOM 1164 CA ALA A 76 1.141 -7.445 -4.045 1.00 0.00 C ATOM 1165 C ALA A 76 0.398 -6.115 -4.089 1.00 0.00 C ATOM 1166 O ALA A 76 0.114 -5.587 -5.164 1.00 0.00 O ATOM 1167 CB ALA A 76 0.154 -8.601 -3.999 1.00 0.00 C ATOM 0 H ALA A 76 2.029 -8.391 -2.398 1.00 0.00 H new ATOM 0 HA ALA A 76 1.739 -7.528 -4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.514 -8.544 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.698 -9.545 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.431 -8.544 -3.081 1.00 0.00 H new ATOM 1173 N ALA A 77 0.085 -5.577 -2.915 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.624 -4.307 -2.819 1.00 0.00 C ATOM 1175 C ALA A 77 0.335 -3.131 -2.961 1.00 0.00 C ATOM 1176 O ALA A 77 0.039 -2.156 -3.651 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.378 -4.221 -1.500 1.00 0.00 C ATOM 0 H ALA A 77 0.312 -6.002 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.342 -4.257 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.903 -3.267 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.099 -5.036 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.673 -4.298 -0.672 1.00 0.00 H new ATOM 1183 N ARG A 78 1.485 -3.228 -2.301 1.00 0.00 N ATOM 1184 CA ARG A 78 2.487 -2.171 -2.352 1.00 0.00 C ATOM 1185 C ARG A 78 3.060 -2.032 -3.759 1.00 0.00 C ATOM 1186 O ARG A 78 3.567 -0.974 -4.133 1.00 0.00 O ATOM 1187 CB ARG A 78 3.612 -2.457 -1.357 1.00 0.00 C ATOM 1188 CG ARG A 78 4.753 -3.272 -1.945 1.00 0.00 C ATOM 1189 CD ARG A 78 5.828 -2.376 -2.540 1.00 0.00 C ATOM 1190 NE ARG A 78 6.600 -3.061 -3.573 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.831 -2.707 -3.928 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.426 -1.681 -3.334 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.469 -3.379 -4.876 1.00 0.00 N ATOM 0 H ARG A 78 1.745 -4.028 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 78 2.003 -1.233 -2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.006 -1.511 -0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.201 -2.990 -0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.190 -3.901 -1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.366 -3.939 -2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.364 -1.486 -2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.499 -2.040 -1.749 1.00 0.00 H new ATOM 0 HE ARG A 78 6.171 -3.855 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.939 -1.162 -2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.371 -1.411 -3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.015 -4.169 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.414 -3.106 -5.147 1.00 0.00 H new ATOM 1207 N ASP A 79 2.977 -3.108 -4.534 1.00 0.00 N ATOM 1208 CA ASP A 79 3.487 -3.107 -5.900 1.00 0.00 C ATOM 1209 C ASP A 79 2.683 -2.154 -6.780 1.00 0.00 C ATOM 1210 O ASP A 79 3.221 -1.547 -7.706 1.00 0.00 O ATOM 1211 CB ASP A 79 3.445 -4.519 -6.484 1.00 0.00 C ATOM 1212 CG ASP A 79 4.226 -4.635 -7.779 1.00 0.00 C ATOM 1213 OD1 ASP A 79 5.423 -4.282 -7.781 1.00 0.00 O ATOM 1214 OD2 ASP A 79 3.640 -5.078 -8.789 1.00 0.00 O ATOM 0 H ASP A 79 2.561 -3.992 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 79 4.521 -2.764 -5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.849 -5.222 -5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.408 -4.805 -6.662 1.00 0.00 H new ATOM 1219 N ALA A 80 1.394 -2.030 -6.484 1.00 0.00 N ATOM 1220 CA ALA A 80 0.516 -1.152 -7.247 1.00 0.00 C ATOM 1221 C ALA A 80 0.883 0.312 -7.032 1.00 0.00 C ATOM 1222 O ALA A 80 1.206 1.027 -7.980 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.936 -1.396 -6.866 1.00 0.00 C ATOM 0 H ALA A 80 0.934 -2.527 -5.721 1.00 0.00 H new ATOM 0 HA ALA A 80 0.645 -1.380 -8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.580 -0.733 -7.444 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.199 -2.432 -7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.071 -1.197 -5.803 1.00 0.00 H new ATOM 1229 N ILE A 81 0.830 0.753 -5.780 1.00 0.00 N ATOM 1230 CA ILE A 81 1.156 2.132 -5.440 1.00 0.00 C ATOM 1231 C ILE A 81 2.326 2.641 -6.277 1.00 0.00 C ATOM 1232 O ILE A 81 2.343 3.796 -6.702 1.00 0.00 O ATOM 1233 CB ILE A 81 1.506 2.277 -3.947 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.327 1.834 -3.080 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.894 3.714 -3.631 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.658 1.753 -1.605 1.00 0.00 C ATOM 0 H ILE A 81 0.564 0.174 -4.983 1.00 0.00 H new ATOM 0 HA ILE A 81 0.270 2.729 -5.656 1.00 0.00 H new ATOM 0 HB ILE A 81 2.358 1.635 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.499 2.531 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.018 0.858 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.139 3.800 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.761 3.996 -4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.061 4.376 -3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.224 1.433 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.463 1.034 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.974 2.733 -1.249 1.00 0.00 H new ATOM 1248 N LEU A 82 3.302 1.770 -6.510 1.00 0.00 N ATOM 1249 CA LEU A 82 4.476 2.131 -7.298 1.00 0.00 C ATOM 1250 C LEU A 82 4.171 2.064 -8.791 1.00 0.00 C ATOM 1251 O LEU A 82 4.335 3.047 -9.513 1.00 0.00 O ATOM 1252 CB LEU A 82 5.645 1.203 -6.962 1.00 0.00 C ATOM 1253 CG LEU A 82 5.984 1.062 -5.478 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.048 -0.006 -5.273 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.447 2.394 -4.907 1.00 0.00 C ATOM 0 H LEU A 82 3.304 0.810 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 82 4.750 3.156 -7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.422 0.213 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.531 1.564 -7.484 1.00 0.00 H new ATOM 0 HG LEU A 82 5.083 0.756 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.277 -0.093 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.680 -0.962 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.951 0.271 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.684 2.274 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.335 2.730 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.654 3.133 -5.020 1.00 0.00 H new ATOM 1267 N ARG A 83 3.725 0.898 -9.246 1.00 0.00 N ATOM 1268 CA ARG A 83 3.396 0.703 -10.654 1.00 0.00 C ATOM 1269 C ARG A 83 2.717 1.942 -11.230 1.00 0.00 C ATOM 1270 O ARG A 83 2.801 2.205 -12.430 1.00 0.00 O ATOM 1271 CB ARG A 83 2.487 -0.515 -10.822 1.00 0.00 C ATOM 1272 CG ARG A 83 2.657 -1.223 -12.156 1.00 0.00 C ATOM 1273 CD ARG A 83 1.801 -2.478 -12.235 1.00 0.00 C ATOM 1274 NE ARG A 83 1.386 -2.771 -13.604 1.00 0.00 N ATOM 1275 CZ ARG A 83 0.455 -2.082 -14.254 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -0.154 -1.064 -13.662 1.00 0.00 N ATOM 1277 NH2 ARG A 83 0.131 -2.410 -15.498 1.00 0.00 N ATOM 0 H ARG A 83 3.583 0.074 -8.661 1.00 0.00 H new ATOM 0 HA ARG A 83 4.325 0.533 -11.199 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.688 -1.222 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.449 -0.200 -10.717 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.386 -0.545 -12.966 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.705 -1.487 -12.298 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.361 -3.324 -11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.919 -2.355 -11.607 1.00 0.00 H new ATOM 0 HE ARG A 83 1.836 -3.548 -14.088 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.092 -0.809 -12.706 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.869 -0.536 -14.163 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.597 -3.193 -15.957 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.584 -1.880 -15.995 1.00 0.00 H new ATOM 1291 N ILE A 84 2.045 2.696 -10.368 1.00 0.00 N ATOM 1292 CA ILE A 84 1.352 3.907 -10.792 1.00 0.00 C ATOM 1293 C ILE A 84 2.311 5.090 -10.869 1.00 0.00 C ATOM 1294 O ILE A 84 2.493 5.688 -11.931 1.00 0.00 O ATOM 1295 CB ILE A 84 0.197 4.259 -9.835 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.663 3.024 -9.563 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.648 5.382 -10.416 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.456 3.111 -8.278 1.00 0.00 C ATOM 0 H ILE A 84 1.965 2.491 -9.372 1.00 0.00 H new ATOM 0 HA ILE A 84 0.944 3.707 -11.783 1.00 0.00 H new ATOM 0 HB ILE A 84 0.619 4.600 -8.890 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.351 2.880 -10.396 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.020 2.145 -9.525 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.460 5.619 -9.729 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.027 6.266 -10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.064 5.067 -11.373 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.042 2.201 -8.150 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.773 3.224 -7.436 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.125 3.971 -8.321 1.00 0.00 H new ATOM 1310 N VAL A 85 2.926 5.423 -9.739 1.00 0.00 N ATOM 1311 CA VAL A 85 3.869 6.533 -9.679 1.00 0.00 C ATOM 1312 C VAL A 85 4.765 6.560 -10.912 1.00 0.00 C ATOM 1313 O VAL A 85 5.122 7.627 -11.410 1.00 0.00 O ATOM 1314 CB VAL A 85 4.752 6.452 -8.419 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.816 7.538 -8.442 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.898 6.558 -7.164 1.00 0.00 C ATOM 0 H VAL A 85 2.788 4.939 -8.852 1.00 0.00 H new ATOM 0 HA VAL A 85 3.278 7.448 -9.642 1.00 0.00 H new ATOM 0 HB VAL A 85 5.254 5.485 -8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.430 7.465 -7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.445 7.412 -9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.337 8.516 -8.475 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.537 6.499 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.367 7.510 -7.164 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.177 5.741 -7.145 1.00 0.00 H new ATOM 1326 N GLY A 86 5.124 5.377 -11.403 1.00 0.00 N ATOM 1327 CA GLY A 86 5.975 5.287 -12.574 1.00 0.00 C ATOM 1328 C GLY A 86 5.404 6.033 -13.763 1.00 0.00 C ATOM 1329 O GLY A 86 6.135 6.700 -14.496 1.00 0.00 O ATOM 0 H GLY A 86 4.840 4.480 -11.010 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.960 5.689 -12.336 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.114 4.239 -12.839 1.00 0.00 H new ATOM 1333 N GLU A 87 4.093 5.919 -13.959 1.00 0.00 N ATOM 1334 CA GLU A 87 3.426 6.587 -15.069 1.00 0.00 C ATOM 1335 C GLU A 87 3.149 8.050 -14.738 1.00 0.00 C ATOM 1336 O GLU A 87 3.372 8.939 -15.562 1.00 0.00 O ATOM 1337 CB GLU A 87 2.116 5.873 -15.410 1.00 0.00 C ATOM 1338 CG GLU A 87 0.915 6.410 -14.649 1.00 0.00 C ATOM 1339 CD GLU A 87 -0.380 5.732 -15.051 1.00 0.00 C ATOM 1340 OE1 GLU A 87 -0.499 4.506 -14.845 1.00 0.00 O ATOM 1341 OE2 GLU A 87 -1.277 6.429 -15.572 1.00 0.00 O ATOM 0 H GLU A 87 3.473 5.370 -13.363 1.00 0.00 H new ATOM 0 HA GLU A 87 4.089 6.548 -15.933 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.929 5.966 -16.480 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.225 4.810 -15.197 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.076 6.273 -13.580 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.829 7.482 -14.823 1.00 0.00 H new ATOM 1348 N LEU A 88 2.662 8.294 -13.527 1.00 0.00 N ATOM 1349 CA LEU A 88 2.353 9.650 -13.085 1.00 0.00 C ATOM 1350 C LEU A 88 3.593 10.537 -13.143 1.00 0.00 C ATOM 1351 O LEU A 88 3.582 11.595 -13.773 1.00 0.00 O ATOM 1352 CB LEU A 88 1.794 9.629 -11.661 1.00 0.00 C ATOM 1353 CG LEU A 88 0.888 8.447 -11.314 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.299 8.617 -9.922 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.217 8.299 -12.349 1.00 0.00 C ATOM 0 H LEU A 88 2.472 7.571 -12.833 1.00 0.00 H new ATOM 0 HA LEU A 88 1.601 10.062 -13.758 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.631 9.637 -10.963 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.235 10.550 -11.498 1.00 0.00 H new ATOM 0 HG LEU A 88 1.490 7.538 -11.323 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.343 7.767 -9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.105 8.672 -9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.288 9.535 -9.885 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.852 7.453 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.817 9.209 -12.373 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.225 8.129 -13.331 1.00 0.00 H new