USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HE2:sc= -0.131 X(o=-0.13,f=-0.39) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 0.0621 (180deg=0.0365) USER MOD Single : A 25 SER OG : rot 55:sc= 0.596 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 31 ASN : amide:sc=-0.00747 K(o=-0.0075,f=-2.1!) USER MOD Single : A 44 SER OG : rot 180:sc= -1.08 USER MOD Single : A 55 SER OG : rot -66:sc= 1.04 USER MOD Single : A 66 SER OG : rot 180:sc= -0.529 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.514 F(o=-2.2,f=-0.51) USER MOD Single : A 71 ASN : amide:sc=-0.000789 X(o=-0.00079,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.384 K(o=-0.38,f=-4.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 77 HIS : no HD1:sc= -0.545 X(o=-0.55,f=-0.28) USER MOD Single : A 79 GLN : amide:sc=-0.00984 K(o=-0.0098,f=-3.8!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc=0.000581 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.94 K(o=-1.9,f=-4.6!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= -0.637 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -6.445 10.784 -8.141 1.00 0.00 N ATOM 165 CA GLU A 15 -6.745 9.469 -8.682 1.00 0.00 C ATOM 166 C GLU A 15 -5.641 8.478 -8.311 1.00 0.00 C ATOM 167 O GLU A 15 -4.620 8.864 -7.742 1.00 0.00 O ATOM 168 CB GLU A 15 -6.940 9.531 -10.198 1.00 0.00 C ATOM 169 CG GLU A 15 -8.401 9.275 -10.574 1.00 0.00 C ATOM 170 CD GLU A 15 -8.538 8.976 -12.068 1.00 0.00 C ATOM 171 OE1 GLU A 15 -7.799 9.617 -12.846 1.00 0.00 O ATOM 172 OE2 GLU A 15 -9.380 8.113 -12.399 1.00 0.00 O ATOM 0 HA GLU A 15 -7.680 9.122 -8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.631 10.509 -10.568 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.302 8.791 -10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.788 8.437 -9.995 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.004 10.146 -10.317 1.00 0.00 H new ATOM 179 N PRO A 16 -5.888 7.186 -8.656 1.00 0.00 N ATOM 180 CA PRO A 16 -4.926 6.136 -8.365 1.00 0.00 C ATOM 181 C PRO A 16 -3.737 6.201 -9.325 1.00 0.00 C ATOM 182 O PRO A 16 -3.789 6.898 -10.338 1.00 0.00 O ATOM 183 CB PRO A 16 -5.712 4.840 -8.480 1.00 0.00 C ATOM 184 CG PRO A 16 -6.959 5.178 -9.281 1.00 0.00 C ATOM 185 CD PRO A 16 -7.085 6.692 -9.330 1.00 0.00 C ATOM 0 HA PRO A 16 -4.485 6.232 -7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.124 4.070 -8.979 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.973 4.453 -7.495 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.888 4.768 -10.288 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.841 4.736 -8.818 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.138 7.052 -10.358 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.991 7.030 -8.827 1.00 0.00 H new ATOM 193 N ARG A 17 -2.692 5.466 -8.974 1.00 0.00 N ATOM 194 CA ARG A 17 -1.492 5.431 -9.791 1.00 0.00 C ATOM 195 C ARG A 17 -0.743 4.114 -9.580 1.00 0.00 C ATOM 196 O ARG A 17 -0.519 3.699 -8.444 1.00 0.00 O ATOM 197 CB ARG A 17 -0.562 6.598 -9.454 1.00 0.00 C ATOM 198 CG ARG A 17 -0.022 6.475 -8.028 1.00 0.00 C ATOM 199 CD ARG A 17 -0.147 7.803 -7.278 1.00 0.00 C ATOM 200 NE ARG A 17 0.565 8.870 -8.016 1.00 0.00 N ATOM 201 CZ ARG A 17 0.307 10.177 -7.881 1.00 0.00 C ATOM 202 NH1 ARG A 17 -0.648 10.588 -7.035 1.00 0.00 N ATOM 203 NH2 ARG A 17 1.003 11.075 -8.592 1.00 0.00 N ATOM 0 H ARG A 17 -2.652 4.889 -8.134 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.799 5.515 -10.834 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.268 6.622 -10.160 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.100 7.540 -9.563 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.569 5.699 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.023 6.166 -8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.198 8.068 -7.163 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.268 7.704 -6.275 1.00 0.00 H new ATOM 0 HE ARG A 17 1.298 8.592 -8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.178 9.905 -6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.844 11.584 -6.932 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.730 10.763 -9.236 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.806 12.070 -8.489 1.00 0.00 H new ATOM 217 N LYS A 18 -0.377 3.493 -10.691 1.00 0.00 N ATOM 218 CA LYS A 18 0.342 2.231 -10.642 1.00 0.00 C ATOM 219 C LYS A 18 1.786 2.489 -10.208 1.00 0.00 C ATOM 220 O LYS A 18 2.571 3.064 -10.960 1.00 0.00 O ATOM 221 CB LYS A 18 0.224 1.494 -11.977 1.00 0.00 C ATOM 222 CG LYS A 18 0.489 -0.003 -11.803 1.00 0.00 C ATOM 223 CD LYS A 18 1.223 -0.574 -13.018 1.00 0.00 C ATOM 224 CE LYS A 18 0.265 -1.354 -13.920 1.00 0.00 C ATOM 225 NZ LYS A 18 0.561 -1.086 -15.345 1.00 0.00 N ATOM 0 H LYS A 18 -0.565 3.840 -11.631 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.102 1.569 -9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.772 1.645 -12.393 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.934 1.912 -12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.082 -0.169 -10.904 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.455 -0.529 -11.663 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.682 0.236 -13.584 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.029 -1.228 -12.686 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.354 -2.421 -13.718 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.764 -1.073 -13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.098 -1.623 -15.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.453 -0.070 -15.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.537 -1.377 -15.558 1.00 0.00 H new ATOM 239 N ILE A 19 2.093 2.051 -8.995 1.00 0.00 N ATOM 240 CA ILE A 19 3.429 2.227 -8.452 1.00 0.00 C ATOM 241 C ILE A 19 4.124 0.866 -8.368 1.00 0.00 C ATOM 242 O ILE A 19 3.501 -0.132 -8.008 1.00 0.00 O ATOM 243 CB ILE A 19 3.371 2.971 -7.117 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.596 4.283 -7.254 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.775 3.191 -6.550 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.520 4.400 -6.173 1.00 0.00 C ATOM 0 H ILE A 19 1.439 1.575 -8.374 1.00 0.00 H new ATOM 0 HA ILE A 19 4.030 2.852 -9.113 1.00 0.00 H new ATOM 0 HB ILE A 19 2.830 2.350 -6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.284 5.125 -7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.133 4.335 -8.240 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.705 3.722 -5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.259 2.227 -6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.363 3.781 -7.253 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.984 5.342 -6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.820 3.570 -6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.988 4.372 -5.189 1.00 0.00 H new ATOM 258 N ILE A 20 5.406 0.870 -8.705 1.00 0.00 N ATOM 259 CA ILE A 20 6.192 -0.351 -8.673 1.00 0.00 C ATOM 260 C ILE A 20 7.417 -0.140 -7.781 1.00 0.00 C ATOM 261 O ILE A 20 8.371 0.527 -8.178 1.00 0.00 O ATOM 262 CB ILE A 20 6.535 -0.806 -10.092 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.352 -1.529 -10.738 1.00 0.00 C ATOM 264 CG2 ILE A 20 7.804 -1.660 -10.103 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.170 -1.093 -12.193 1.00 0.00 C ATOM 0 H ILE A 20 5.919 1.700 -9.002 1.00 0.00 H new ATOM 0 HA ILE A 20 5.614 -1.165 -8.235 1.00 0.00 H new ATOM 0 HB ILE A 20 6.738 0.080 -10.694 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.512 -2.606 -10.695 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.442 -1.319 -10.175 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.025 -1.970 -11.124 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.638 -1.077 -9.712 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.654 -2.542 -9.480 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.322 -1.622 -12.628 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.986 -0.019 -12.231 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.072 -1.326 -12.758 1.00 0.00 H new ATOM 277 N LEU A 21 7.351 -0.722 -6.592 1.00 0.00 N ATOM 278 CA LEU A 21 8.444 -0.605 -5.641 1.00 0.00 C ATOM 279 C LEU A 21 9.337 -1.843 -5.743 1.00 0.00 C ATOM 280 O LEU A 21 8.855 -2.940 -6.023 1.00 0.00 O ATOM 281 CB LEU A 21 7.903 -0.352 -4.232 1.00 0.00 C ATOM 282 CG LEU A 21 7.292 1.029 -3.987 1.00 0.00 C ATOM 283 CD1 LEU A 21 8.123 2.124 -4.659 1.00 0.00 C ATOM 284 CD2 LEU A 21 5.828 1.068 -4.430 1.00 0.00 C ATOM 0 H LEU A 21 6.559 -1.275 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 21 9.066 0.258 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.147 -1.106 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.715 -0.500 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 21 7.309 1.224 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.666 3.095 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.135 2.113 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.160 1.945 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.418 2.061 -4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.764 0.842 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.258 0.329 -3.867 1.00 0.00 H new ATOM 296 N HIS A 22 10.623 -1.627 -5.510 1.00 0.00 N ATOM 297 CA HIS A 22 11.588 -2.711 -5.572 1.00 0.00 C ATOM 298 C HIS A 22 12.143 -2.985 -4.173 1.00 0.00 C ATOM 299 O HIS A 22 12.961 -2.219 -3.665 1.00 0.00 O ATOM 300 CB HIS A 22 12.683 -2.406 -6.596 1.00 0.00 C ATOM 301 CG HIS A 22 12.197 -2.377 -8.025 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.768 -3.144 -9.026 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.190 -1.668 -8.610 1.00 0.00 C ATOM 304 CE1 HIS A 22 12.125 -2.899 -10.159 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.148 -1.983 -9.899 1.00 0.00 N ATOM 0 H HIS A 22 11.019 -0.716 -5.278 1.00 0.00 H new ATOM 0 HA HIS A 22 11.096 -3.622 -5.914 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.132 -1.442 -6.356 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.469 -3.155 -6.506 1.00 0.00 H new ATOM 0 HD1 HIS A 22 13.550 -3.788 -8.911 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.537 -0.968 -8.109 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.337 -3.346 -11.119 1.00 0.00 H new ATOM 313 N LYS A 23 11.677 -4.079 -3.590 1.00 0.00 N ATOM 314 CA LYS A 23 12.117 -4.463 -2.259 1.00 0.00 C ATOM 315 C LYS A 23 13.618 -4.199 -2.127 1.00 0.00 C ATOM 316 O LYS A 23 14.428 -4.866 -2.769 1.00 0.00 O ATOM 317 CB LYS A 23 11.718 -5.910 -1.960 1.00 0.00 C ATOM 318 CG LYS A 23 10.402 -5.966 -1.182 1.00 0.00 C ATOM 319 CD LYS A 23 10.106 -7.390 -0.707 1.00 0.00 C ATOM 320 CE LYS A 23 8.685 -7.810 -1.087 1.00 0.00 C ATOM 321 NZ LYS A 23 7.856 -7.992 0.125 1.00 0.00 N ATOM 0 H LYS A 23 10.999 -4.712 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 23 11.619 -3.856 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.617 -6.463 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.506 -6.397 -1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.454 -5.296 -0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.587 -5.613 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.824 -8.081 -1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.230 -7.450 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.236 -7.054 -1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.714 -8.738 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.975 -8.483 -0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.380 -8.558 0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.630 -7.063 0.534 1.00 0.00 H new ATOM 335 N GLY A 24 13.944 -3.225 -1.290 1.00 0.00 N ATOM 336 CA GLY A 24 15.333 -2.865 -1.066 1.00 0.00 C ATOM 337 C GLY A 24 16.055 -3.942 -0.254 1.00 0.00 C ATOM 338 O GLY A 24 17.142 -4.382 -0.627 1.00 0.00 O ATOM 0 H GLY A 24 13.270 -2.674 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.836 -2.728 -2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.385 -1.912 -0.540 1.00 0.00 H new ATOM 342 N SER A 25 15.421 -4.337 0.840 1.00 0.00 N ATOM 343 CA SER A 25 15.989 -5.355 1.708 1.00 0.00 C ATOM 344 C SER A 25 15.008 -5.692 2.832 1.00 0.00 C ATOM 345 O SER A 25 14.873 -6.852 3.216 1.00 0.00 O ATOM 346 CB SER A 25 17.328 -4.898 2.290 1.00 0.00 C ATOM 347 OG SER A 25 18.435 -5.471 1.599 1.00 0.00 O ATOM 0 H SER A 25 14.519 -3.971 1.145 1.00 0.00 H new ATOM 0 HA SER A 25 16.169 -6.250 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.393 -3.811 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.377 -5.172 3.344 1.00 0.00 H new ATOM 0 HG SER A 25 18.359 -5.276 0.642 1.00 0.00 H new ATOM 353 N THR A 26 14.348 -4.655 3.328 1.00 0.00 N ATOM 354 CA THR A 26 13.383 -4.826 4.401 1.00 0.00 C ATOM 355 C THR A 26 11.980 -5.034 3.828 1.00 0.00 C ATOM 356 O THR A 26 11.233 -5.890 4.300 1.00 0.00 O ATOM 357 CB THR A 26 13.487 -3.614 5.328 1.00 0.00 C ATOM 358 OG1 THR A 26 12.899 -2.553 4.580 1.00 0.00 O ATOM 359 CG2 THR A 26 14.933 -3.162 5.541 1.00 0.00 C ATOM 0 H THR A 26 14.463 -3.694 3.007 1.00 0.00 H new ATOM 0 HA THR A 26 13.597 -5.720 4.986 1.00 0.00 H new ATOM 0 HB THR A 26 13.036 -3.854 6.291 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.923 -1.728 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.950 -2.299 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.506 -3.975 5.986 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.374 -2.890 4.582 1.00 0.00 H new ATOM 367 N GLY A 27 11.664 -4.237 2.818 1.00 0.00 N ATOM 368 CA GLY A 27 10.363 -4.323 2.175 1.00 0.00 C ATOM 369 C GLY A 27 10.206 -3.238 1.108 1.00 0.00 C ATOM 370 O GLY A 27 11.177 -2.862 0.453 1.00 0.00 O ATOM 0 H GLY A 27 12.286 -3.529 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.243 -5.306 1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.576 -4.220 2.922 1.00 0.00 H new ATOM 374 N LEU A 28 8.976 -2.767 0.966 1.00 0.00 N ATOM 375 CA LEU A 28 8.680 -1.733 -0.011 1.00 0.00 C ATOM 376 C LEU A 28 9.000 -0.363 0.590 1.00 0.00 C ATOM 377 O LEU A 28 8.981 0.647 -0.113 1.00 0.00 O ATOM 378 CB LEU A 28 7.239 -1.864 -0.510 1.00 0.00 C ATOM 379 CG LEU A 28 6.957 -3.043 -1.443 1.00 0.00 C ATOM 380 CD1 LEU A 28 8.245 -3.539 -2.104 1.00 0.00 C ATOM 381 CD2 LEU A 28 6.223 -4.164 -0.705 1.00 0.00 C ATOM 0 H LEU A 28 8.173 -3.082 1.511 1.00 0.00 H new ATOM 0 HA LEU A 28 9.310 -1.850 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.582 -1.946 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.970 -0.944 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 28 6.298 -2.698 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.017 -4.377 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.690 -2.732 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.947 -3.862 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.035 -4.989 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.836 -4.515 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.274 -3.787 -0.322 1.00 0.00 H new ATOM 393 N GLY A 29 9.288 -0.372 1.883 1.00 0.00 N ATOM 394 CA GLY A 29 9.612 0.858 2.586 1.00 0.00 C ATOM 395 C GLY A 29 8.355 1.691 2.842 1.00 0.00 C ATOM 396 O GLY A 29 8.347 2.898 2.605 1.00 0.00 O ATOM 0 H GLY A 29 9.304 -1.211 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.096 0.623 3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.324 1.439 2.000 1.00 0.00 H new ATOM 400 N PHE A 30 7.322 1.014 3.321 1.00 0.00 N ATOM 401 CA PHE A 30 6.062 1.677 3.612 1.00 0.00 C ATOM 402 C PHE A 30 5.119 0.749 4.380 1.00 0.00 C ATOM 403 O PHE A 30 5.152 -0.467 4.195 1.00 0.00 O ATOM 404 CB PHE A 30 5.425 2.034 2.268 1.00 0.00 C ATOM 405 CG PHE A 30 4.722 0.861 1.581 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.580 0.347 2.112 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.239 0.332 0.440 1.00 0.00 C ATOM 408 CE1 PHE A 30 2.928 -0.741 1.475 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.586 -0.756 -0.197 1.00 0.00 C ATOM 410 CZ PHE A 30 3.444 -1.270 0.334 1.00 0.00 C ATOM 0 H PHE A 30 7.332 0.013 3.515 1.00 0.00 H new ATOM 0 HA PHE A 30 6.239 2.560 4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.704 2.837 2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.197 2.421 1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.169 0.767 3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.146 0.739 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.021 -1.149 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.996 -1.176 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.948 -2.098 -0.151 1.00 0.00 H new ATOM 420 N ASN A 31 4.300 1.358 5.225 1.00 0.00 N ATOM 421 CA ASN A 31 3.349 0.601 6.022 1.00 0.00 C ATOM 422 C ASN A 31 1.953 0.743 5.412 1.00 0.00 C ATOM 423 O ASN A 31 1.749 1.541 4.499 1.00 0.00 O ATOM 424 CB ASN A 31 3.294 1.126 7.458 1.00 0.00 C ATOM 425 CG ASN A 31 3.481 -0.010 8.465 1.00 0.00 C ATOM 426 OD1 ASN A 31 2.847 -1.050 8.392 1.00 0.00 O ATOM 427 ND2 ASN A 31 4.384 0.245 9.407 1.00 0.00 N ATOM 0 H ASN A 31 4.275 2.367 5.375 1.00 0.00 H new ATOM 0 HA ASN A 31 3.669 -0.441 6.031 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.070 1.878 7.604 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.337 1.618 7.633 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.581 -0.451 10.126 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.880 1.136 9.410 1.00 0.00 H new ATOM 434 N ILE A 32 1.029 -0.045 5.942 1.00 0.00 N ATOM 435 CA ILE A 32 -0.342 -0.017 5.462 1.00 0.00 C ATOM 436 C ILE A 32 -1.298 -0.087 6.654 1.00 0.00 C ATOM 437 O ILE A 32 -0.936 -0.592 7.716 1.00 0.00 O ATOM 438 CB ILE A 32 -0.569 -1.121 4.426 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.100 -2.426 4.861 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.107 -0.674 3.038 1.00 0.00 C ATOM 441 CD1 ILE A 32 -0.753 -3.635 4.472 1.00 0.00 C ATOM 0 H ILE A 32 1.203 -0.706 6.699 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.545 0.921 4.945 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.640 -1.314 4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.084 -2.506 4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.255 -2.418 5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.279 -1.477 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.668 0.210 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.956 -0.436 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.255 -4.550 4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.727 -3.564 4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.885 -3.654 3.390 1.00 0.00 H new ATOM 453 N VAL A 33 -2.500 0.428 6.440 1.00 0.00 N ATOM 454 CA VAL A 33 -3.510 0.430 7.484 1.00 0.00 C ATOM 455 C VAL A 33 -4.874 0.113 6.868 1.00 0.00 C ATOM 456 O VAL A 33 -4.990 -0.046 5.654 1.00 0.00 O ATOM 457 CB VAL A 33 -3.487 1.765 8.231 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.066 2.327 8.307 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.441 2.771 7.585 1.00 0.00 C ATOM 0 H VAL A 33 -2.797 0.847 5.559 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.299 -0.344 8.222 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.830 1.585 9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.078 3.276 8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.423 1.621 8.833 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.683 2.485 7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.405 3.711 8.135 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.142 2.944 6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.457 2.376 7.608 1.00 0.00 H new ATOM 469 N GLY A 34 -5.874 0.029 7.734 1.00 0.00 N ATOM 470 CA GLY A 34 -7.225 -0.266 7.291 1.00 0.00 C ATOM 471 C GLY A 34 -7.593 -1.722 7.586 1.00 0.00 C ATOM 472 O GLY A 34 -6.826 -2.443 8.221 1.00 0.00 O ATOM 0 H GLY A 34 -5.775 0.160 8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.929 0.399 7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.311 -0.075 6.221 1.00 0.00 H new ATOM 476 N GLY A 35 -8.768 -2.110 7.111 1.00 0.00 N ATOM 477 CA GLY A 35 -9.247 -3.466 7.316 1.00 0.00 C ATOM 478 C GLY A 35 -10.416 -3.492 8.303 1.00 0.00 C ATOM 479 O GLY A 35 -10.435 -4.303 9.227 1.00 0.00 O ATOM 0 H GLY A 35 -9.402 -1.509 6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.561 -3.892 6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.435 -4.089 7.692 1.00 0.00 H new ATOM 483 N GLU A 36 -11.362 -2.593 8.074 1.00 0.00 N ATOM 484 CA GLU A 36 -12.531 -2.502 8.931 1.00 0.00 C ATOM 485 C GLU A 36 -13.783 -2.233 8.095 1.00 0.00 C ATOM 486 O GLU A 36 -13.858 -1.229 7.388 1.00 0.00 O ATOM 487 CB GLU A 36 -12.344 -1.424 10.001 1.00 0.00 C ATOM 488 CG GLU A 36 -11.092 -1.693 10.837 1.00 0.00 C ATOM 489 CD GLU A 36 -11.194 -1.023 12.209 1.00 0.00 C ATOM 490 OE1 GLU A 36 -12.233 -1.240 12.870 1.00 0.00 O ATOM 491 OE2 GLU A 36 -10.232 -0.309 12.566 1.00 0.00 O ATOM 0 H GLU A 36 -11.342 -1.921 7.307 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.658 -3.457 9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.266 -0.446 9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.219 -1.395 10.650 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.958 -2.767 10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.213 -1.321 10.311 1.00 0.00 H new ATOM 498 N ASP A 37 -14.736 -3.148 8.202 1.00 0.00 N ATOM 499 CA ASP A 37 -15.981 -3.022 7.464 1.00 0.00 C ATOM 500 C ASP A 37 -15.673 -2.656 6.011 1.00 0.00 C ATOM 501 O ASP A 37 -16.392 -1.866 5.400 1.00 0.00 O ATOM 502 CB ASP A 37 -16.861 -1.917 8.053 1.00 0.00 C ATOM 503 CG ASP A 37 -18.366 -2.184 7.985 1.00 0.00 C ATOM 504 OD1 ASP A 37 -18.724 -3.320 7.605 1.00 0.00 O ATOM 505 OD2 ASP A 37 -19.124 -1.247 8.313 1.00 0.00 O ATOM 0 H ASP A 37 -14.671 -3.980 8.789 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.507 -3.974 7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.581 -1.767 9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.648 -0.985 7.528 1.00 0.00 H new ATOM 510 N GLY A 38 -14.603 -3.247 5.499 1.00 0.00 N ATOM 511 CA GLY A 38 -14.191 -2.993 4.129 1.00 0.00 C ATOM 512 C GLY A 38 -14.131 -1.491 3.844 1.00 0.00 C ATOM 513 O GLY A 38 -14.783 -1.004 2.921 1.00 0.00 O ATOM 0 H GLY A 38 -14.009 -3.901 6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.213 -3.440 3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.889 -3.470 3.441 1.00 0.00 H new ATOM 517 N GLU A 39 -13.344 -0.798 4.653 1.00 0.00 N ATOM 518 CA GLU A 39 -13.191 0.639 4.500 1.00 0.00 C ATOM 519 C GLU A 39 -12.114 0.950 3.459 1.00 0.00 C ATOM 520 O GLU A 39 -12.175 1.976 2.783 1.00 0.00 O ATOM 521 CB GLU A 39 -12.866 1.302 5.840 1.00 0.00 C ATOM 522 CG GLU A 39 -11.398 1.089 6.215 1.00 0.00 C ATOM 523 CD GLU A 39 -11.254 0.768 7.704 1.00 0.00 C ATOM 524 OE1 GLU A 39 -11.844 1.523 8.507 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.556 -0.224 8.006 1.00 0.00 O ATOM 0 H GLU A 39 -12.805 -1.205 5.417 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.138 1.050 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.079 2.369 5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.508 0.890 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.982 0.275 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.824 1.984 5.975 1.00 0.00 H new ATOM 532 N GLY A 40 -11.151 0.044 3.361 1.00 0.00 N ATOM 533 CA GLY A 40 -10.062 0.209 2.414 1.00 0.00 C ATOM 534 C GLY A 40 -8.706 0.104 3.114 1.00 0.00 C ATOM 535 O GLY A 40 -8.637 -0.231 4.296 1.00 0.00 O ATOM 0 H GLY A 40 -11.103 -0.806 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.133 -0.551 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.147 1.178 1.922 1.00 0.00 H new ATOM 539 N ILE A 41 -7.660 0.397 2.355 1.00 0.00 N ATOM 540 CA ILE A 41 -6.309 0.341 2.888 1.00 0.00 C ATOM 541 C ILE A 41 -5.592 1.659 2.589 1.00 0.00 C ATOM 542 O ILE A 41 -5.809 2.263 1.540 1.00 0.00 O ATOM 543 CB ILE A 41 -5.575 -0.893 2.359 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.458 -2.139 2.454 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.236 -1.083 3.073 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.516 -2.662 3.890 1.00 0.00 C ATOM 0 H ILE A 41 -7.721 0.674 1.375 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.331 0.229 3.972 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.356 -0.734 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.464 -1.903 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.069 -2.916 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.735 -1.967 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.609 -0.207 2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.408 -1.211 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.150 -3.548 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.511 -2.920 4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.928 -1.891 4.541 1.00 0.00 H new ATOM 558 N PHE A 42 -4.752 2.065 3.530 1.00 0.00 N ATOM 559 CA PHE A 42 -4.002 3.300 3.380 1.00 0.00 C ATOM 560 C PHE A 42 -2.622 3.186 4.031 1.00 0.00 C ATOM 561 O PHE A 42 -2.470 2.533 5.063 1.00 0.00 O ATOM 562 CB PHE A 42 -4.798 4.396 4.091 1.00 0.00 C ATOM 563 CG PHE A 42 -6.166 4.677 3.466 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.177 3.779 3.610 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.371 5.825 2.765 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.446 4.039 3.030 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.640 6.085 2.185 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.651 5.187 2.329 1.00 0.00 C ATOM 0 H PHE A 42 -4.574 1.561 4.399 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.859 3.522 2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.938 4.111 5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.213 5.316 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.014 2.868 4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.568 6.538 2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.249 3.326 3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.803 6.996 1.629 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.616 5.385 1.887 1.00 0.00 H new ATOM 578 N VAL A 43 -1.650 3.829 3.400 1.00 0.00 N ATOM 579 CA VAL A 43 -0.288 3.808 3.905 1.00 0.00 C ATOM 580 C VAL A 43 -0.251 4.456 5.290 1.00 0.00 C ATOM 581 O VAL A 43 -0.928 5.455 5.530 1.00 0.00 O ATOM 582 CB VAL A 43 0.652 4.483 2.904 1.00 0.00 C ATOM 583 CG1 VAL A 43 2.000 4.807 3.550 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.836 3.617 1.656 1.00 0.00 C ATOM 0 H VAL A 43 -1.779 4.368 2.544 1.00 0.00 H new ATOM 0 HA VAL A 43 0.061 2.782 4.017 1.00 0.00 H new ATOM 0 HB VAL A 43 0.194 5.423 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.649 5.286 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.847 5.480 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.466 3.886 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.508 4.119 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.261 2.654 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.130 3.459 1.177 1.00 0.00 H new ATOM 594 N SER A 44 0.546 3.862 6.166 1.00 0.00 N ATOM 595 CA SER A 44 0.680 4.369 7.521 1.00 0.00 C ATOM 596 C SER A 44 2.002 5.125 7.669 1.00 0.00 C ATOM 597 O SER A 44 2.173 5.905 8.604 1.00 0.00 O ATOM 598 CB SER A 44 0.600 3.234 8.544 1.00 0.00 C ATOM 599 OG SER A 44 1.836 3.042 9.225 1.00 0.00 O ATOM 0 H SER A 44 1.106 3.034 5.964 1.00 0.00 H new ATOM 0 HA SER A 44 -0.146 5.054 7.713 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.183 3.454 9.269 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.317 2.310 8.039 1.00 0.00 H new ATOM 0 HG SER A 44 1.744 2.310 9.870 1.00 0.00 H new ATOM 605 N PHE A 45 2.902 4.866 6.732 1.00 0.00 N ATOM 606 CA PHE A 45 4.204 5.512 6.746 1.00 0.00 C ATOM 607 C PHE A 45 5.070 5.026 5.582 1.00 0.00 C ATOM 608 O PHE A 45 4.759 4.017 4.952 1.00 0.00 O ATOM 609 CB PHE A 45 4.879 5.128 8.064 1.00 0.00 C ATOM 610 CG PHE A 45 6.342 5.566 8.165 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.646 6.857 8.469 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.338 4.666 7.949 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.003 7.263 8.562 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.695 5.072 8.042 1.00 0.00 C ATOM 615 CZ PHE A 45 8.999 6.362 8.347 1.00 0.00 C ATOM 0 H PHE A 45 2.756 4.218 5.958 1.00 0.00 H new ATOM 0 HA PHE A 45 4.085 6.591 6.649 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.320 5.570 8.889 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.825 4.046 8.186 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.855 7.572 8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.097 3.642 7.707 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.245 8.288 8.804 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.486 4.357 7.871 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.031 6.671 8.419 1.00 0.00 H new ATOM 625 N ILE A 46 6.140 5.767 5.333 1.00 0.00 N ATOM 626 CA ILE A 46 7.053 5.424 4.256 1.00 0.00 C ATOM 627 C ILE A 46 8.490 5.463 4.781 1.00 0.00 C ATOM 628 O ILE A 46 8.946 6.492 5.276 1.00 0.00 O ATOM 629 CB ILE A 46 6.816 6.327 3.045 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.386 6.179 2.522 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.855 6.064 1.953 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.318 5.147 1.395 1.00 0.00 C ATOM 0 H ILE A 46 6.395 6.603 5.858 1.00 0.00 H new ATOM 0 HA ILE A 46 6.867 4.408 3.907 1.00 0.00 H new ATOM 0 HB ILE A 46 6.937 7.363 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.727 5.878 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.026 7.142 2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.664 6.719 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.853 6.261 2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.790 5.025 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.290 5.061 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.959 5.464 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.656 4.180 1.767 1.00 0.00 H new ATOM 644 N LEU A 47 9.163 4.329 4.653 1.00 0.00 N ATOM 645 CA LEU A 47 10.539 4.220 5.108 1.00 0.00 C ATOM 646 C LEU A 47 11.392 5.271 4.394 1.00 0.00 C ATOM 647 O LEU A 47 11.226 5.502 3.198 1.00 0.00 O ATOM 648 CB LEU A 47 11.051 2.789 4.930 1.00 0.00 C ATOM 649 CG LEU A 47 12.505 2.542 5.336 1.00 0.00 C ATOM 650 CD1 LEU A 47 13.466 2.997 4.236 1.00 0.00 C ATOM 651 CD2 LEU A 47 12.819 3.201 6.680 1.00 0.00 C ATOM 0 H LEU A 47 8.781 3.478 4.241 1.00 0.00 H new ATOM 0 HA LEU A 47 10.604 4.427 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.414 2.121 5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.935 2.510 3.883 1.00 0.00 H new ATOM 0 HG LEU A 47 12.646 1.469 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.493 2.810 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.260 2.442 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.331 4.063 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.859 3.010 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.655 4.276 6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.167 2.787 7.449 1.00 0.00 H new ATOM 663 N ALA A 48 12.286 5.880 5.159 1.00 0.00 N ATOM 664 CA ALA A 48 13.165 6.901 4.615 1.00 0.00 C ATOM 665 C ALA A 48 14.355 6.229 3.926 1.00 0.00 C ATOM 666 O ALA A 48 15.189 5.610 4.584 1.00 0.00 O ATOM 667 CB ALA A 48 13.599 7.850 5.734 1.00 0.00 C ATOM 0 H ALA A 48 12.421 5.686 6.151 1.00 0.00 H new ATOM 0 HA ALA A 48 12.644 7.497 3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.258 8.616 5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.720 8.323 6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.128 7.288 6.503 1.00 0.00 H new ATOM 673 N GLY A 49 14.395 6.375 2.610 1.00 0.00 N ATOM 674 CA GLY A 49 15.468 5.790 1.825 1.00 0.00 C ATOM 675 C GLY A 49 14.992 4.532 1.095 1.00 0.00 C ATOM 676 O GLY A 49 15.675 4.030 0.205 1.00 0.00 O ATOM 0 H GLY A 49 13.701 6.890 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.832 6.519 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.306 5.541 2.476 1.00 0.00 H new ATOM 680 N GLY A 50 13.822 4.059 1.500 1.00 0.00 N ATOM 681 CA GLY A 50 13.246 2.870 0.897 1.00 0.00 C ATOM 682 C GLY A 50 12.824 3.138 -0.549 1.00 0.00 C ATOM 683 O GLY A 50 13.069 4.220 -1.080 1.00 0.00 O ATOM 0 H GLY A 50 13.258 4.478 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.971 2.057 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.382 2.545 1.477 1.00 0.00 H new ATOM 687 N PRO A 51 12.180 2.108 -1.160 1.00 0.00 N ATOM 688 CA PRO A 51 11.721 2.222 -2.534 1.00 0.00 C ATOM 689 C PRO A 51 10.473 3.102 -2.625 1.00 0.00 C ATOM 690 O PRO A 51 10.301 3.844 -3.590 1.00 0.00 O ATOM 691 CB PRO A 51 11.474 0.792 -2.987 1.00 0.00 C ATOM 692 CG PRO A 51 11.356 -0.033 -1.715 1.00 0.00 C ATOM 693 CD PRO A 51 11.872 0.812 -0.562 1.00 0.00 C ATOM 0 HA PRO A 51 12.450 2.710 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.564 0.723 -3.583 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.292 0.433 -3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.319 -0.322 -1.542 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.933 -0.953 -1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.124 0.907 0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.757 0.365 -0.109 1.00 0.00 H new ATOM 701 N ALA A 52 9.633 2.989 -1.606 1.00 0.00 N ATOM 702 CA ALA A 52 8.406 3.765 -1.558 1.00 0.00 C ATOM 703 C ALA A 52 8.750 5.245 -1.381 1.00 0.00 C ATOM 704 O ALA A 52 7.921 6.114 -1.646 1.00 0.00 O ATOM 705 CB ALA A 52 7.511 3.236 -0.435 1.00 0.00 C ATOM 0 H ALA A 52 9.779 2.371 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 52 7.852 3.665 -2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.590 3.818 -0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.271 2.189 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.033 3.323 0.518 1.00 0.00 H new ATOM 711 N ASP A 53 9.974 5.486 -0.934 1.00 0.00 N ATOM 712 CA ASP A 53 10.437 6.846 -0.719 1.00 0.00 C ATOM 713 C ASP A 53 11.283 7.287 -1.915 1.00 0.00 C ATOM 714 O ASP A 53 10.981 8.293 -2.557 1.00 0.00 O ATOM 715 CB ASP A 53 11.308 6.939 0.536 1.00 0.00 C ATOM 716 CG ASP A 53 10.948 8.080 1.490 1.00 0.00 C ATOM 717 OD1 ASP A 53 9.744 8.413 1.547 1.00 0.00 O ATOM 718 OD2 ASP A 53 11.884 8.592 2.141 1.00 0.00 O ATOM 0 H ASP A 53 10.659 4.762 -0.715 1.00 0.00 H new ATOM 0 HA ASP A 53 9.562 7.485 -0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.239 5.996 1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.348 7.055 0.231 1.00 0.00 H new ATOM 723 N LEU A 54 12.326 6.514 -2.179 1.00 0.00 N ATOM 724 CA LEU A 54 13.217 6.813 -3.287 1.00 0.00 C ATOM 725 C LEU A 54 12.388 7.095 -4.541 1.00 0.00 C ATOM 726 O LEU A 54 12.651 8.059 -5.260 1.00 0.00 O ATOM 727 CB LEU A 54 14.242 5.691 -3.467 1.00 0.00 C ATOM 728 CG LEU A 54 15.341 5.610 -2.405 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.511 4.753 -2.892 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.792 7.007 -1.975 1.00 0.00 C ATOM 0 H LEU A 54 12.574 5.681 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 54 13.796 7.713 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.710 4.740 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.714 5.810 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 54 14.929 5.120 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.278 4.712 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.158 3.744 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.931 5.192 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.573 6.921 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.180 7.546 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.944 7.551 -1.559 1.00 0.00 H new ATOM 742 N SER A 55 11.403 6.238 -4.767 1.00 0.00 N ATOM 743 CA SER A 55 10.534 6.383 -5.922 1.00 0.00 C ATOM 744 C SER A 55 9.889 7.771 -5.920 1.00 0.00 C ATOM 745 O SER A 55 9.800 8.419 -6.962 1.00 0.00 O ATOM 746 CB SER A 55 9.456 5.297 -5.940 1.00 0.00 C ATOM 747 OG SER A 55 8.642 5.333 -4.771 1.00 0.00 O ATOM 0 H SER A 55 11.188 5.440 -4.169 1.00 0.00 H new ATOM 0 HA SER A 55 11.139 6.271 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.829 5.423 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.929 4.318 -6.023 1.00 0.00 H new ATOM 0 HG SER A 55 9.183 5.099 -3.988 1.00 0.00 H new ATOM 753 N GLY A 56 9.456 8.186 -4.739 1.00 0.00 N ATOM 754 CA GLY A 56 8.822 9.484 -4.588 1.00 0.00 C ATOM 755 C GLY A 56 7.314 9.391 -4.833 1.00 0.00 C ATOM 756 O GLY A 56 6.556 10.258 -4.401 1.00 0.00 O ATOM 0 H GLY A 56 9.532 7.646 -3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.008 9.869 -3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.265 10.192 -5.288 1.00 0.00 H new ATOM 760 N GLU A 57 6.925 8.330 -5.526 1.00 0.00 N ATOM 761 CA GLU A 57 5.522 8.112 -5.834 1.00 0.00 C ATOM 762 C GLU A 57 4.748 7.759 -4.562 1.00 0.00 C ATOM 763 O GLU A 57 3.878 8.514 -4.130 1.00 0.00 O ATOM 764 CB GLU A 57 5.356 7.024 -6.896 1.00 0.00 C ATOM 765 CG GLU A 57 6.056 7.418 -8.199 1.00 0.00 C ATOM 766 CD GLU A 57 5.780 8.882 -8.548 1.00 0.00 C ATOM 767 OE1 GLU A 57 6.478 9.744 -7.972 1.00 0.00 O ATOM 768 OE2 GLU A 57 4.877 9.105 -9.383 1.00 0.00 O ATOM 0 H GLU A 57 7.557 7.613 -5.882 1.00 0.00 H new ATOM 0 HA GLU A 57 5.112 9.036 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.768 6.085 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.296 6.854 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.130 7.260 -8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.712 6.776 -9.010 1.00 0.00 H new ATOM 775 N LEU A 58 5.092 6.611 -3.998 1.00 0.00 N ATOM 776 CA LEU A 58 4.441 6.149 -2.784 1.00 0.00 C ATOM 777 C LEU A 58 4.755 7.116 -1.641 1.00 0.00 C ATOM 778 O LEU A 58 5.920 7.377 -1.346 1.00 0.00 O ATOM 779 CB LEU A 58 4.829 4.699 -2.486 1.00 0.00 C ATOM 780 CG LEU A 58 3.932 3.954 -1.495 1.00 0.00 C ATOM 781 CD1 LEU A 58 2.517 4.535 -1.494 1.00 0.00 C ATOM 782 CD2 LEU A 58 3.934 2.450 -1.777 1.00 0.00 C ATOM 0 H LEU A 58 5.813 5.987 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 58 3.358 6.146 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.837 4.146 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.849 4.688 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 58 4.339 4.094 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.900 3.988 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.556 5.586 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.086 4.445 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.289 1.944 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.565 2.269 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.949 2.064 -1.687 1.00 0.00 H new ATOM 794 N ARG A 59 3.695 7.623 -1.029 1.00 0.00 N ATOM 795 CA ARG A 59 3.843 8.556 0.075 1.00 0.00 C ATOM 796 C ARG A 59 2.810 8.258 1.164 1.00 0.00 C ATOM 797 O ARG A 59 1.719 7.770 0.873 1.00 0.00 O ATOM 798 CB ARG A 59 3.673 10.001 -0.399 1.00 0.00 C ATOM 799 CG ARG A 59 4.509 10.269 -1.652 1.00 0.00 C ATOM 800 CD ARG A 59 5.128 11.667 -1.608 1.00 0.00 C ATOM 801 NE ARG A 59 6.553 11.602 -2.004 1.00 0.00 N ATOM 802 CZ ARG A 59 7.246 12.641 -2.490 1.00 0.00 C ATOM 803 NH1 ARG A 59 6.650 13.832 -2.642 1.00 0.00 N ATOM 804 NH2 ARG A 59 8.535 12.490 -2.823 1.00 0.00 N ATOM 0 H ARG A 59 2.730 7.405 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 59 4.848 8.434 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.622 10.197 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.972 10.685 0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.297 9.521 -1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.883 10.172 -2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.586 12.335 -2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.040 12.082 -0.604 1.00 0.00 H new ATOM 0 HE ARG A 59 7.038 10.711 -1.900 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.669 13.948 -2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.178 14.623 -3.012 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.989 11.584 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.062 13.281 -3.193 1.00 0.00 H new ATOM 818 N ARG A 60 3.190 8.566 2.395 1.00 0.00 N ATOM 819 CA ARG A 60 2.310 8.337 3.529 1.00 0.00 C ATOM 820 C ARG A 60 0.956 9.010 3.294 1.00 0.00 C ATOM 821 O ARG A 60 0.893 10.209 3.027 1.00 0.00 O ATOM 822 CB ARG A 60 2.924 8.880 4.821 1.00 0.00 C ATOM 823 CG ARG A 60 2.041 8.555 6.027 1.00 0.00 C ATOM 824 CD ARG A 60 2.741 8.925 7.336 1.00 0.00 C ATOM 825 NE ARG A 60 2.606 10.377 7.590 1.00 0.00 N ATOM 826 CZ ARG A 60 3.423 11.309 7.080 1.00 0.00 C ATOM 827 NH1 ARG A 60 4.440 10.946 6.285 1.00 0.00 N ATOM 828 NH2 ARG A 60 3.224 12.603 7.364 1.00 0.00 N ATOM 0 H ARG A 60 4.095 8.972 2.632 1.00 0.00 H new ATOM 0 HA ARG A 60 2.172 7.260 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.915 8.450 4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.053 9.959 4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.099 9.097 5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.798 7.492 6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.307 8.361 8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.795 8.653 7.284 1.00 0.00 H new ATOM 0 HE ARG A 60 1.843 10.688 8.191 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.592 9.961 6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.062 11.655 5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.450 12.879 7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.846 13.312 6.976 1.00 0.00 H new ATOM 842 N GLY A 61 -0.093 8.208 3.401 1.00 0.00 N ATOM 843 CA GLY A 61 -1.442 8.711 3.204 1.00 0.00 C ATOM 844 C GLY A 61 -2.122 8.008 2.027 1.00 0.00 C ATOM 845 O GLY A 61 -3.334 7.795 2.043 1.00 0.00 O ATOM 0 H GLY A 61 -0.036 7.214 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.027 8.558 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.411 9.785 3.022 1.00 0.00 H new ATOM 849 N ASP A 62 -1.313 7.667 1.035 1.00 0.00 N ATOM 850 CA ASP A 62 -1.822 6.993 -0.147 1.00 0.00 C ATOM 851 C ASP A 62 -2.824 5.917 0.276 1.00 0.00 C ATOM 852 O ASP A 62 -2.744 5.392 1.385 1.00 0.00 O ATOM 853 CB ASP A 62 -0.692 6.309 -0.920 1.00 0.00 C ATOM 854 CG ASP A 62 -0.148 7.105 -2.109 1.00 0.00 C ATOM 855 OD1 ASP A 62 -0.850 7.130 -3.143 1.00 0.00 O ATOM 856 OD2 ASP A 62 0.956 7.669 -1.956 1.00 0.00 O ATOM 0 H ASP A 62 -0.309 7.845 1.025 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.294 7.741 -0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.128 6.107 -0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.050 5.345 -1.281 1.00 0.00 H new ATOM 861 N ARG A 63 -3.744 5.621 -0.630 1.00 0.00 N ATOM 862 CA ARG A 63 -4.761 4.618 -0.365 1.00 0.00 C ATOM 863 C ARG A 63 -4.554 3.401 -1.270 1.00 0.00 C ATOM 864 O ARG A 63 -4.901 3.434 -2.449 1.00 0.00 O ATOM 865 CB ARG A 63 -6.164 5.182 -0.593 1.00 0.00 C ATOM 866 CG ARG A 63 -7.233 4.124 -0.310 1.00 0.00 C ATOM 867 CD ARG A 63 -8.590 4.551 -0.872 1.00 0.00 C ATOM 868 NE ARG A 63 -9.536 3.414 -0.830 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.711 3.390 -1.474 1.00 0.00 C ATOM 870 NH1 ARG A 63 -11.092 4.441 -2.213 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.506 2.315 -1.378 1.00 0.00 N ATOM 0 H ARG A 63 -3.806 6.059 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.668 4.319 0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.322 6.046 0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.257 5.532 -1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.935 3.174 -0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.315 3.963 0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.986 5.386 -0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.474 4.901 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.278 2.597 -0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.488 5.259 -2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.986 4.422 -2.703 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.217 1.515 -0.815 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.400 2.297 -1.868 1.00 0.00 H new ATOM 885 N ILE A 64 -3.990 2.356 -0.683 1.00 0.00 N ATOM 886 CA ILE A 64 -3.733 1.131 -1.421 1.00 0.00 C ATOM 887 C ILE A 64 -5.045 0.615 -2.016 1.00 0.00 C ATOM 888 O ILE A 64 -6.038 0.470 -1.306 1.00 0.00 O ATOM 889 CB ILE A 64 -3.017 0.111 -0.534 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.695 0.673 -0.008 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.823 -1.216 -1.270 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.769 1.066 -1.162 1.00 0.00 C ATOM 0 H ILE A 64 -3.704 2.332 0.296 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.058 1.323 -2.255 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.648 -0.090 0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.889 1.543 0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.204 -0.070 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.312 -1.923 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.795 -1.621 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.224 -1.051 -2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.164 1.463 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.557 0.189 -1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.253 1.827 -1.774 1.00 0.00 H new ATOM 904 N LEU A 65 -5.005 0.353 -3.314 1.00 0.00 N ATOM 905 CA LEU A 65 -6.178 -0.144 -4.013 1.00 0.00 C ATOM 906 C LEU A 65 -5.949 -1.603 -4.413 1.00 0.00 C ATOM 907 O LEU A 65 -6.853 -2.430 -4.304 1.00 0.00 O ATOM 908 CB LEU A 65 -6.527 0.769 -5.191 1.00 0.00 C ATOM 909 CG LEU A 65 -7.251 2.070 -4.839 1.00 0.00 C ATOM 910 CD1 LEU A 65 -7.231 3.044 -6.019 1.00 0.00 C ATOM 911 CD2 LEU A 65 -8.673 1.791 -4.350 1.00 0.00 C ATOM 0 H LEU A 65 -4.179 0.475 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.048 -0.126 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.605 1.020 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.149 0.208 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.717 2.548 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.752 3.961 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.199 3.278 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.728 2.588 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.165 2.733 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.233 1.280 -5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.635 1.161 -3.461 1.00 0.00 H new ATOM 923 N SER A 66 -4.734 -1.875 -4.868 1.00 0.00 N ATOM 924 CA SER A 66 -4.375 -3.219 -5.284 1.00 0.00 C ATOM 925 C SER A 66 -2.858 -3.404 -5.203 1.00 0.00 C ATOM 926 O SER A 66 -2.103 -2.443 -5.345 1.00 0.00 O ATOM 927 CB SER A 66 -4.869 -3.507 -6.703 1.00 0.00 C ATOM 928 OG SER A 66 -4.437 -2.515 -7.631 1.00 0.00 O ATOM 0 H SER A 66 -3.986 -1.187 -4.957 1.00 0.00 H new ATOM 0 HA SER A 66 -4.858 -3.926 -4.610 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.506 -4.484 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.958 -3.555 -6.705 1.00 0.00 H new ATOM 0 HG SER A 66 -4.771 -2.736 -8.525 1.00 0.00 H new ATOM 934 N VAL A 67 -2.457 -4.646 -4.975 1.00 0.00 N ATOM 935 CA VAL A 67 -1.044 -4.969 -4.873 1.00 0.00 C ATOM 936 C VAL A 67 -0.722 -6.132 -5.814 1.00 0.00 C ATOM 937 O VAL A 67 -1.410 -7.152 -5.804 1.00 0.00 O ATOM 938 CB VAL A 67 -0.677 -5.260 -3.416 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.475 -6.262 -3.330 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.338 -3.969 -2.668 1.00 0.00 C ATOM 0 H VAL A 67 -3.086 -5.441 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.435 -4.120 -5.184 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.546 -5.708 -2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.716 -6.451 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.181 -7.196 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.350 -5.854 -3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.081 -4.204 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.508 -3.480 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.200 -3.302 -2.685 1.00 0.00 H new ATOM 950 N ASN A 68 0.324 -5.940 -6.604 1.00 0.00 N ATOM 951 CA ASN A 68 0.746 -6.960 -7.549 1.00 0.00 C ATOM 952 C ASN A 68 -0.451 -7.383 -8.403 1.00 0.00 C ATOM 953 O ASN A 68 -0.437 -8.453 -9.010 1.00 0.00 O ATOM 954 CB ASN A 68 1.270 -8.200 -6.823 1.00 0.00 C ATOM 955 CG ASN A 68 2.590 -8.677 -7.434 1.00 0.00 C ATOM 956 OD1 ASN A 68 3.536 -8.941 -6.538 1.00 0.00 O flip ATOM 957 ND2 ASN A 68 2.738 -8.796 -8.639 1.00 0.00 N flip ATOM 0 H ASN A 68 0.892 -5.093 -6.609 1.00 0.00 H new ATOM 0 HA ASN A 68 1.541 -6.541 -8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.415 -7.973 -5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.530 -8.998 -6.879 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.969 -8.576 -9.272 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.631 -9.116 -9.014 1.00 0.00 H new ATOM 964 N GLY A 69 -1.457 -6.522 -8.423 1.00 0.00 N ATOM 965 CA GLY A 69 -2.659 -6.793 -9.193 1.00 0.00 C ATOM 966 C GLY A 69 -3.656 -7.621 -8.380 1.00 0.00 C ATOM 967 O GLY A 69 -4.229 -8.584 -8.888 1.00 0.00 O ATOM 0 H GLY A 69 -1.465 -5.636 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.122 -5.853 -9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.397 -7.327 -10.107 1.00 0.00 H new ATOM 971 N VAL A 70 -3.833 -7.216 -7.131 1.00 0.00 N ATOM 972 CA VAL A 70 -4.751 -7.909 -6.242 1.00 0.00 C ATOM 973 C VAL A 70 -5.848 -6.941 -5.795 1.00 0.00 C ATOM 974 O VAL A 70 -5.605 -5.744 -5.651 1.00 0.00 O ATOM 975 CB VAL A 70 -3.982 -8.523 -5.071 1.00 0.00 C ATOM 976 CG1 VAL A 70 -3.697 -7.476 -3.992 1.00 0.00 C ATOM 977 CG2 VAL A 70 -4.735 -9.720 -4.488 1.00 0.00 C ATOM 0 H VAL A 70 -3.356 -6.417 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.237 -8.734 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.025 -8.882 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.149 -7.939 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.100 -6.669 -4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.638 -7.073 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.167 -10.138 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.713 -9.396 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.863 -10.480 -5.259 1.00 0.00 H new ATOM 987 N ASN A 71 -7.033 -7.496 -5.587 1.00 0.00 N ATOM 988 CA ASN A 71 -8.169 -6.697 -5.159 1.00 0.00 C ATOM 989 C ASN A 71 -8.206 -6.650 -3.630 1.00 0.00 C ATOM 990 O ASN A 71 -8.495 -7.654 -2.981 1.00 0.00 O ATOM 991 CB ASN A 71 -9.485 -7.306 -5.645 1.00 0.00 C ATOM 992 CG ASN A 71 -10.599 -6.257 -5.672 1.00 0.00 C ATOM 993 OD1 ASN A 71 -11.484 -6.232 -4.832 1.00 0.00 O ATOM 994 ND2 ASN A 71 -10.505 -5.394 -6.680 1.00 0.00 N ATOM 0 H ASN A 71 -7.231 -8.489 -5.707 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.057 -5.698 -5.580 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.350 -7.724 -6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.772 -8.129 -4.991 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.200 -4.654 -6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.738 -5.472 -7.348 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.910 -5.473 -3.099 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.905 -5.281 -1.659 1.00 0.00 C ATOM 1003 C LEU A 72 -8.869 -4.149 -1.296 1.00 0.00 C ATOM 1004 O LEU A 72 -8.965 -3.760 -0.134 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.479 -5.060 -1.152 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.430 -6.059 -1.643 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -4.022 -5.469 -1.545 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.547 -7.389 -0.895 1.00 0.00 C ATOM 0 H LEU A 72 -7.672 -4.642 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.262 -6.179 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.162 -4.058 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.494 -5.085 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.621 -6.264 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.296 -6.200 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.961 -4.569 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.805 -5.217 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.790 -8.081 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.397 -7.221 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.537 -7.813 -1.060 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.559 -3.654 -2.313 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.512 -2.575 -2.117 1.00 0.00 C ATOM 1022 C ARG A 73 -11.255 -2.758 -0.792 1.00 0.00 C ATOM 1023 O ARG A 73 -11.469 -1.795 -0.058 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.527 -2.521 -3.260 1.00 0.00 C ATOM 1025 CG ARG A 73 -11.185 -1.400 -4.244 1.00 0.00 C ATOM 1026 CD ARG A 73 -12.280 -1.247 -5.302 1.00 0.00 C ATOM 1027 NE ARG A 73 -13.239 -0.198 -4.889 1.00 0.00 N ATOM 1028 CZ ARG A 73 -14.356 0.107 -5.565 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -14.660 -0.556 -6.689 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -15.168 1.073 -5.116 1.00 0.00 N ATOM 0 H ARG A 73 -9.477 -3.981 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.954 -1.639 -2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.542 -3.477 -3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.527 -2.363 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.063 -0.461 -3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.233 -1.615 -4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.835 -0.987 -6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.801 -2.195 -5.438 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.038 0.325 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.042 -1.292 -7.030 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.510 -0.324 -7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.937 1.577 -4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.018 1.305 -5.630 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.628 -4.001 -0.527 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.343 -4.324 0.696 1.00 0.00 C ATOM 1046 C ASN A 74 -11.707 -5.554 1.345 1.00 0.00 C ATOM 1047 O ASN A 74 -12.405 -6.502 1.705 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.811 -4.647 0.408 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.618 -3.368 0.176 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -14.116 -2.364 -0.301 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -15.895 -3.461 0.539 1.00 0.00 N ATOM 0 H ASN A 74 -11.448 -4.797 -1.139 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.287 -3.459 1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.880 -5.289 -0.470 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.236 -5.203 1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.517 -2.661 0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.251 -4.332 0.932 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.390 -5.501 1.474 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.651 -6.600 2.073 1.00 0.00 C ATOM 1060 C ALA A 75 -9.183 -6.191 3.472 1.00 0.00 C ATOM 1061 O ALA A 75 -9.037 -5.004 3.759 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.488 -6.992 1.160 1.00 0.00 C ATOM 0 H ALA A 75 -9.815 -4.714 1.174 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.289 -7.477 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.934 -7.816 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.876 -7.302 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.824 -6.137 1.029 1.00 0.00 H new ATOM 1068 N THR A 76 -8.960 -7.198 4.304 1.00 0.00 N ATOM 1069 CA THR A 76 -8.510 -6.959 5.664 1.00 0.00 C ATOM 1070 C THR A 76 -7.013 -6.648 5.685 1.00 0.00 C ATOM 1071 O THR A 76 -6.282 -7.036 4.775 1.00 0.00 O ATOM 1072 CB THR A 76 -8.890 -8.177 6.509 1.00 0.00 C ATOM 1073 OG1 THR A 76 -8.613 -9.288 5.660 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.396 -8.268 6.762 1.00 0.00 C ATOM 0 H THR A 76 -9.083 -8.181 4.062 1.00 0.00 H new ATOM 0 HA THR A 76 -8.997 -6.083 6.093 1.00 0.00 H new ATOM 0 HB THR A 76 -8.364 -8.135 7.463 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.829 -10.121 6.130 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.611 -9.150 7.366 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.731 -7.376 7.291 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.921 -8.344 5.810 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.600 -5.950 6.733 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.202 -5.583 6.884 1.00 0.00 C ATOM 1084 C HIS A 77 -4.315 -6.754 6.459 1.00 0.00 C ATOM 1085 O HIS A 77 -3.463 -6.607 5.583 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.916 -5.109 8.310 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.591 -4.401 8.468 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.075 -4.043 9.701 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.683 -3.991 7.537 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -1.909 -3.443 9.508 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.668 -3.412 8.166 1.00 0.00 N ATOM 0 H HIS A 77 -7.209 -5.629 7.486 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.970 -4.742 6.231 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.715 -4.438 8.626 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.939 -5.969 8.979 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.774 -4.116 6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.263 -3.048 10.278 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.844 -3.010 7.719 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.544 -7.891 7.099 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.776 -9.087 6.799 1.00 0.00 C ATOM 1101 C GLU A 78 -3.777 -9.354 5.292 1.00 0.00 C ATOM 1102 O GLU A 78 -2.719 -9.414 4.668 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.315 -10.293 7.570 1.00 0.00 C ATOM 1104 CG GLU A 78 -3.935 -11.603 6.875 1.00 0.00 C ATOM 1105 CD GLU A 78 -4.472 -12.809 7.648 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -3.734 -13.287 8.537 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -5.607 -13.226 7.333 1.00 0.00 O ATOM 0 H GLU A 78 -5.251 -8.009 7.825 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.747 -8.924 7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.918 -10.287 8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.400 -10.222 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.334 -11.610 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.850 -11.673 6.792 1.00 0.00 H new ATOM 1114 N GLN A 79 -4.977 -9.508 4.752 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.130 -9.767 3.330 1.00 0.00 C ATOM 1116 C GLN A 79 -4.254 -8.810 2.519 1.00 0.00 C ATOM 1117 O GLN A 79 -3.561 -9.231 1.594 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.596 -9.659 2.908 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.364 -10.935 3.261 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.834 -10.821 2.853 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -9.232 -9.937 2.112 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.615 -11.762 3.376 1.00 0.00 N ATOM 0 H GLN A 79 -5.852 -9.458 5.273 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.802 -10.787 3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.058 -8.804 3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.657 -9.479 1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.909 -11.788 2.759 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.294 -11.121 4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.216 -12.473 3.989 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.613 -11.773 3.164 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.313 -7.541 2.895 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.534 -6.521 2.214 1.00 0.00 C ATOM 1133 C ALA A 80 -2.045 -6.833 2.372 1.00 0.00 C ATOM 1134 O ALA A 80 -1.248 -6.547 1.479 1.00 0.00 O ATOM 1135 CB ALA A 80 -3.903 -5.143 2.767 1.00 0.00 C ATOM 0 H ALA A 80 -4.889 -7.196 3.663 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.758 -6.515 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.319 -4.378 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.965 -4.958 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.689 -5.110 3.835 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.713 -7.417 3.514 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.333 -7.771 3.801 1.00 0.00 C ATOM 1143 C ALA A 81 0.030 -9.047 3.039 1.00 0.00 C ATOM 1144 O ALA A 81 1.086 -9.121 2.412 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.147 -7.921 5.312 1.00 0.00 C ATOM 0 H ALA A 81 -2.376 -7.654 4.252 1.00 0.00 H new ATOM 0 HA ALA A 81 0.343 -6.984 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.888 -8.187 5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.389 -6.979 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.807 -8.705 5.684 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.865 -10.021 3.119 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.652 -11.290 2.445 1.00 0.00 C ATOM 1153 C ALA A 82 -0.323 -11.033 0.974 1.00 0.00 C ATOM 1154 O ALA A 82 0.362 -11.833 0.338 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.888 -12.175 2.620 1.00 0.00 C ATOM 0 H ALA A 82 -1.739 -9.957 3.640 1.00 0.00 H new ATOM 0 HA ALA A 82 0.193 -11.820 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.728 -13.127 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.061 -12.352 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.756 -11.677 2.189 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.826 -9.913 0.475 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.594 -9.540 -0.910 1.00 0.00 C ATOM 1163 C ALA A 83 0.877 -9.161 -1.092 1.00 0.00 C ATOM 1164 O ALA A 83 1.442 -9.350 -2.168 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.542 -8.403 -1.298 1.00 0.00 C ATOM 0 H ALA A 83 -1.393 -9.252 1.005 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.802 -10.379 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.368 -8.123 -2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.574 -8.733 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.360 -7.542 -0.655 1.00 0.00 H new ATOM 1171 N LEU A 84 1.455 -8.632 -0.024 1.00 0.00 N ATOM 1172 CA LEU A 84 2.849 -8.224 -0.052 1.00 0.00 C ATOM 1173 C LEU A 84 3.736 -9.433 0.254 1.00 0.00 C ATOM 1174 O LEU A 84 4.919 -9.441 -0.083 1.00 0.00 O ATOM 1175 CB LEU A 84 3.080 -7.039 0.888 1.00 0.00 C ATOM 1176 CG LEU A 84 2.774 -5.656 0.310 1.00 0.00 C ATOM 1177 CD1 LEU A 84 3.308 -5.527 -1.118 1.00 0.00 C ATOM 1178 CD2 LEU A 84 1.278 -5.347 0.392 1.00 0.00 C ATOM 0 H LEU A 84 0.983 -8.476 0.867 1.00 0.00 H new ATOM 0 HA LEU A 84 3.122 -7.870 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.468 -7.182 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.121 -7.054 1.211 1.00 0.00 H new ATOM 0 HG LEU A 84 3.291 -4.911 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.077 -4.534 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.388 -5.674 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.840 -6.281 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.087 -4.358 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.721 -6.093 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.959 -5.369 1.434 1.00 0.00 H new ATOM 1190 N LYS A 85 3.130 -10.426 0.889 1.00 0.00 N ATOM 1191 CA LYS A 85 3.850 -11.637 1.244 1.00 0.00 C ATOM 1192 C LYS A 85 3.953 -12.542 0.015 1.00 0.00 C ATOM 1193 O LYS A 85 4.906 -13.309 -0.117 1.00 0.00 O ATOM 1194 CB LYS A 85 3.198 -12.313 2.452 1.00 0.00 C ATOM 1195 CG LYS A 85 3.886 -11.894 3.753 1.00 0.00 C ATOM 1196 CD LYS A 85 3.328 -10.564 4.264 1.00 0.00 C ATOM 1197 CE LYS A 85 4.370 -9.818 5.100 1.00 0.00 C ATOM 1198 NZ LYS A 85 4.103 -10.001 6.544 1.00 0.00 N ATOM 0 H LYS A 85 2.149 -10.416 1.167 1.00 0.00 H new ATOM 0 HA LYS A 85 4.868 -11.399 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.141 -12.049 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.252 -13.396 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.744 -12.666 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.960 -11.803 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.023 -9.945 3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.437 -10.746 4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.368 -10.184 4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.352 -8.757 4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.819 -9.488 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.159 -9.630 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.143 -11.013 6.779 1.00 0.00 H new ATOM 1212 N ARG A 86 2.960 -12.423 -0.854 1.00 0.00 N ATOM 1213 CA ARG A 86 2.928 -13.221 -2.068 1.00 0.00 C ATOM 1214 C ARG A 86 3.644 -12.488 -3.204 1.00 0.00 C ATOM 1215 O ARG A 86 3.881 -13.063 -4.265 1.00 0.00 O ATOM 1216 CB ARG A 86 1.489 -13.521 -2.491 1.00 0.00 C ATOM 1217 CG ARG A 86 0.841 -12.297 -3.141 1.00 0.00 C ATOM 1218 CD ARG A 86 -0.362 -12.701 -3.996 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.407 -11.880 -5.226 1.00 0.00 N ATOM 1220 CZ ARG A 86 -1.123 -12.196 -6.314 1.00 0.00 C ATOM 1221 NH1 ARG A 86 -1.858 -13.317 -6.330 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -1.103 -11.392 -7.386 1.00 0.00 N ATOM 0 H ARG A 86 2.171 -11.786 -0.742 1.00 0.00 H new ATOM 0 HA ARG A 86 3.438 -14.162 -1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.479 -14.357 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.907 -13.826 -1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.524 -11.596 -2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.574 -11.779 -3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.295 -13.757 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.283 -12.570 -3.428 1.00 0.00 H new ATOM 0 HE ARG A 86 0.141 -11.020 -5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.872 -13.929 -5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.403 -13.558 -7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.543 -10.540 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.648 -11.632 -8.214 1.00 0.00 H new ATOM 1236 N ALA A 87 3.969 -11.231 -2.942 1.00 0.00 N ATOM 1237 CA ALA A 87 4.654 -10.414 -3.929 1.00 0.00 C ATOM 1238 C ALA A 87 6.080 -10.935 -4.116 1.00 0.00 C ATOM 1239 O ALA A 87 6.308 -12.143 -4.116 1.00 0.00 O ATOM 1240 CB ALA A 87 4.621 -8.948 -3.490 1.00 0.00 C ATOM 0 H ALA A 87 3.771 -10.758 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 87 4.152 -10.477 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.135 -8.335 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.586 -8.618 -3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.119 -8.846 -2.526 1.00 0.00 H new ATOM 1246 N GLY A 88 7.003 -9.997 -4.270 1.00 0.00 N ATOM 1247 CA GLY A 88 8.401 -10.346 -4.457 1.00 0.00 C ATOM 1248 C GLY A 88 9.274 -9.092 -4.538 1.00 0.00 C ATOM 1249 O GLY A 88 9.100 -8.159 -3.756 1.00 0.00 O ATOM 0 H GLY A 88 6.810 -8.995 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.736 -10.974 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.514 -10.932 -5.369 1.00 0.00 H new ATOM 1253 N GLN A 89 10.193 -9.111 -5.492 1.00 0.00 N ATOM 1254 CA GLN A 89 11.093 -7.987 -5.686 1.00 0.00 C ATOM 1255 C GLN A 89 10.352 -6.820 -6.344 1.00 0.00 C ATOM 1256 O GLN A 89 10.403 -5.693 -5.854 1.00 0.00 O ATOM 1257 CB GLN A 89 12.312 -8.397 -6.514 1.00 0.00 C ATOM 1258 CG GLN A 89 13.382 -9.043 -5.631 1.00 0.00 C ATOM 1259 CD GLN A 89 14.780 -8.822 -6.213 1.00 0.00 C ATOM 1260 OE1 GLN A 89 15.116 -9.297 -7.285 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.572 -8.076 -5.448 1.00 0.00 N ATOM 0 H GLN A 89 10.334 -9.887 -6.139 1.00 0.00 H new ATOM 0 HA GLN A 89 11.450 -7.661 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.008 -9.096 -7.294 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.728 -7.522 -7.014 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.332 -8.623 -4.626 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.187 -10.112 -5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.227 -7.710 -4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.525 -7.870 -5.748 1.00 0.00 H new ATOM 1270 N SER A 90 9.680 -7.132 -7.442 1.00 0.00 N ATOM 1271 CA SER A 90 8.929 -6.124 -8.171 1.00 0.00 C ATOM 1272 C SER A 90 7.442 -6.227 -7.826 1.00 0.00 C ATOM 1273 O SER A 90 6.723 -7.043 -8.401 1.00 0.00 O ATOM 1274 CB SER A 90 9.135 -6.269 -9.681 1.00 0.00 C ATOM 1275 OG SER A 90 9.987 -7.365 -10.001 1.00 0.00 O ATOM 0 H SER A 90 9.640 -8.068 -7.845 1.00 0.00 H new ATOM 0 HA SER A 90 9.297 -5.142 -7.874 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.169 -6.407 -10.167 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.563 -5.349 -10.078 1.00 0.00 H new ATOM 0 HG SER A 90 10.092 -7.425 -10.974 1.00 0.00 H new ATOM 1281 N VAL A 91 7.025 -5.389 -6.889 1.00 0.00 N ATOM 1282 CA VAL A 91 5.637 -5.376 -6.460 1.00 0.00 C ATOM 1283 C VAL A 91 4.945 -4.133 -7.024 1.00 0.00 C ATOM 1284 O VAL A 91 5.458 -3.022 -6.898 1.00 0.00 O ATOM 1285 CB VAL A 91 5.559 -5.463 -4.935 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.120 -5.698 -4.471 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.492 -6.551 -4.400 1.00 0.00 C ATOM 0 H VAL A 91 7.624 -4.714 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 91 5.109 -6.247 -6.849 1.00 0.00 H new ATOM 0 HB VAL A 91 5.890 -4.507 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.093 -5.756 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.490 -4.874 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.750 -6.632 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.418 -6.592 -3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.205 -7.515 -4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.519 -6.322 -4.685 1.00 0.00 H new ATOM 1297 N THR A 92 3.791 -4.362 -7.634 1.00 0.00 N ATOM 1298 CA THR A 92 3.025 -3.275 -8.217 1.00 0.00 C ATOM 1299 C THR A 92 1.929 -2.817 -7.252 1.00 0.00 C ATOM 1300 O THR A 92 0.883 -3.455 -7.147 1.00 0.00 O ATOM 1301 CB THR A 92 2.485 -3.748 -9.568 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.620 -4.313 -10.217 1.00 0.00 O ATOM 1303 CG2 THR A 92 2.077 -2.586 -10.476 1.00 0.00 C ATOM 0 H THR A 92 3.369 -5.285 -7.737 1.00 0.00 H new ATOM 0 HA THR A 92 3.650 -2.399 -8.389 1.00 0.00 H new ATOM 0 HB THR A 92 1.627 -4.401 -9.407 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.359 -4.647 -11.101 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.701 -2.978 -11.421 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.297 -2.001 -9.990 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.942 -1.951 -10.665 1.00 0.00 H new ATOM 1311 N ILE A 93 2.208 -1.715 -6.571 1.00 0.00 N ATOM 1312 CA ILE A 93 1.259 -1.164 -5.618 1.00 0.00 C ATOM 1313 C ILE A 93 0.502 -0.006 -6.270 1.00 0.00 C ATOM 1314 O ILE A 93 1.096 1.018 -6.607 1.00 0.00 O ATOM 1315 CB ILE A 93 1.968 -0.780 -4.317 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.738 -1.970 -3.741 1.00 0.00 C ATOM 1317 CG2 ILE A 93 0.980 -0.193 -3.307 1.00 0.00 C ATOM 1318 CD1 ILE A 93 4.176 -1.997 -4.263 1.00 0.00 C ATOM 0 H ILE A 93 3.077 -1.189 -6.660 1.00 0.00 H new ATOM 0 HA ILE A 93 0.518 -1.914 -5.341 1.00 0.00 H new ATOM 0 HB ILE A 93 2.698 -0.003 -4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.743 -1.912 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.233 -2.898 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.509 0.071 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.516 0.699 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.210 -0.930 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.701 -2.852 -3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.167 -2.080 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.686 -1.078 -3.973 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.798 -0.206 -6.429 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.643 0.809 -7.035 1.00 0.00 C ATOM 1332 C VAL A 94 -2.429 1.533 -5.940 1.00 0.00 C ATOM 1333 O VAL A 94 -3.428 1.016 -5.443 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.544 0.175 -8.097 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.431 1.228 -8.763 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.715 -0.581 -9.137 1.00 0.00 C ATOM 0 H VAL A 94 -1.287 -1.056 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.035 1.555 -7.547 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.195 -0.544 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.061 0.751 -9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.060 1.703 -8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.805 1.982 -9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.379 -1.022 -9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.029 0.110 -9.627 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.146 -1.370 -8.645 1.00 0.00 H new ATOM 1346 N ALA A 95 -1.947 2.718 -5.595 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.592 3.518 -4.568 1.00 0.00 C ATOM 1348 C ALA A 95 -2.816 4.936 -5.097 1.00 0.00 C ATOM 1349 O ALA A 95 -2.247 5.318 -6.119 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.741 3.498 -3.296 1.00 0.00 C ATOM 0 H ALA A 95 -1.117 3.143 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.568 3.103 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.225 4.098 -2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.636 2.472 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.755 3.910 -3.511 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.645 5.678 -4.378 1.00 0.00 N ATOM 1357 CA GLN A 96 -3.951 7.045 -4.763 1.00 0.00 C ATOM 1358 C GLN A 96 -3.675 7.999 -3.598 1.00 0.00 C ATOM 1359 O GLN A 96 -4.170 7.792 -2.491 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.400 7.169 -5.241 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.354 7.350 -4.058 1.00 0.00 C ATOM 1362 CD GLN A 96 -7.799 7.496 -4.538 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.514 8.413 -4.168 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.189 6.543 -5.380 1.00 0.00 N ATOM 0 H GLN A 96 -4.114 5.358 -3.531 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.303 7.321 -5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.492 8.017 -5.920 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.678 6.278 -5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.274 6.494 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.066 8.232 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.540 5.804 -5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.137 6.552 -5.756 1.00 0.00 H new ATOM 1373 N TYR A 97 -2.885 9.022 -3.888 1.00 0.00 N ATOM 1374 CA TYR A 97 -2.537 10.008 -2.879 1.00 0.00 C ATOM 1375 C TYR A 97 -3.792 10.640 -2.274 1.00 0.00 C ATOM 1376 O TYR A 97 -4.357 11.573 -2.842 1.00 0.00 O ATOM 1377 CB TYR A 97 -1.735 11.090 -3.606 1.00 0.00 C ATOM 1378 CG TYR A 97 -0.683 11.777 -2.732 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -0.887 11.897 -1.373 1.00 0.00 C ATOM 1380 CD2 TYR A 97 0.470 12.276 -3.304 1.00 0.00 C ATOM 1381 CE1 TYR A 97 0.103 12.544 -0.551 1.00 0.00 C ATOM 1382 CE2 TYR A 97 1.459 12.922 -2.482 1.00 0.00 C ATOM 1383 CZ TYR A 97 1.227 13.024 -1.146 1.00 0.00 C ATOM 1384 OH TYR A 97 2.162 13.635 -0.370 1.00 0.00 O ATOM 0 H TYR A 97 -2.476 9.190 -4.807 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.975 9.545 -2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.241 10.644 -4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.424 11.844 -3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.789 11.506 -0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.630 12.182 -4.368 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.044 12.646 0.514 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.365 13.317 -2.917 1.00 0.00 H new ATOM 0 HH TYR A 97 2.912 13.927 -0.930 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.190 10.107 -1.128 1.00 0.00 N ATOM 1395 CA ARG A 98 -5.368 10.607 -0.440 1.00 0.00 C ATOM 1396 C ARG A 98 -5.077 10.781 1.052 1.00 0.00 C ATOM 1397 O ARG A 98 -5.398 9.908 1.857 1.00 0.00 O ATOM 1398 CB ARG A 98 -6.553 9.655 -0.614 1.00 0.00 C ATOM 1399 CG ARG A 98 -7.880 10.391 -0.418 1.00 0.00 C ATOM 1400 CD ARG A 98 -8.881 10.017 -1.513 1.00 0.00 C ATOM 1401 NE ARG A 98 -9.552 8.742 -1.172 1.00 0.00 N ATOM 1402 CZ ARG A 98 -10.751 8.375 -1.643 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -11.420 9.184 -2.476 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -11.283 7.200 -1.279 1.00 0.00 N ATOM 0 H ARG A 98 -3.718 9.334 -0.659 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.624 11.571 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.523 9.210 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.476 8.838 0.104 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.296 10.145 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.708 11.467 -0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.622 10.809 -1.626 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.367 9.923 -2.470 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.071 8.103 -0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.016 10.079 -2.751 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.333 8.904 -2.835 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.775 6.585 -0.643 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.196 6.921 -1.638 1.00 0.00 H new ATOM 1418 N PRO A 99 -4.456 11.944 1.385 1.00 0.00 N ATOM 1419 CA PRO A 99 -4.118 12.244 2.766 1.00 0.00 C ATOM 1420 C PRO A 99 -5.363 12.640 3.562 1.00 0.00 C ATOM 1421 O PRO A 99 -5.412 12.457 4.777 1.00 0.00 O ATOM 1422 CB PRO A 99 -3.085 13.356 2.686 1.00 0.00 C ATOM 1423 CG PRO A 99 -3.225 13.956 1.296 1.00 0.00 C ATOM 1424 CD PRO A 99 -4.061 13.001 0.459 1.00 0.00 C ATOM 0 HA PRO A 99 -3.715 11.382 3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.260 14.108 3.455 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.079 12.967 2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -3.702 14.935 1.349 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.245 14.103 0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -4.932 13.503 0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -3.487 12.601 -0.377 1.00 0.00 H new ATOM 1432 N GLU A 100 -6.339 13.177 2.844 1.00 0.00 N ATOM 1433 CA GLU A 100 -7.581 13.601 3.467 1.00 0.00 C ATOM 1434 C GLU A 100 -8.222 12.433 4.221 1.00 0.00 C ATOM 1435 O GLU A 100 -8.468 12.526 5.422 1.00 0.00 O ATOM 1436 CB GLU A 100 -8.545 14.180 2.431 1.00 0.00 C ATOM 1437 CG GLU A 100 -9.553 15.125 3.088 1.00 0.00 C ATOM 1438 CD GLU A 100 -10.005 14.586 4.447 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -10.785 13.609 4.439 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -9.560 15.163 5.462 1.00 0.00 O ATOM 0 H GLU A 100 -6.294 13.328 1.836 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.354 14.390 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.983 14.716 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.074 13.370 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.104 16.110 3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.418 15.250 2.436 1.00 0.00 H new ATOM 1447 N GLU A 101 -8.474 11.362 3.483 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.082 10.178 4.067 1.00 0.00 C ATOM 1449 C GLU A 101 -8.222 9.652 5.217 1.00 0.00 C ATOM 1450 O GLU A 101 -8.688 9.555 6.352 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.302 9.096 3.007 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.594 9.348 2.227 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.672 8.332 2.610 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -12.341 8.574 3.637 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -11.803 7.336 1.866 1.00 0.00 O ATOM 0 H GLU A 101 -8.269 11.289 2.487 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.058 10.454 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.456 9.077 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.346 8.117 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.953 10.358 2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.395 9.287 1.157 1.00 0.00 H new ATOM 1462 N TYR A 102 -6.981 9.326 4.885 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.052 8.812 5.877 1.00 0.00 C ATOM 1464 C TYR A 102 -5.937 9.767 7.068 1.00 0.00 C ATOM 1465 O TYR A 102 -5.520 9.364 8.152 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.694 8.725 5.177 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.546 8.302 6.096 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.432 6.986 6.496 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.626 9.236 6.525 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.351 6.587 7.360 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.545 8.837 7.389 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.461 7.533 7.765 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.441 7.157 8.581 1.00 0.00 O ATOM 0 H TYR A 102 -6.598 9.408 3.943 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.390 7.848 6.256 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.766 8.015 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.458 9.696 4.742 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.153 6.255 6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.716 10.266 6.213 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.249 5.560 7.679 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.817 9.558 7.731 1.00 0.00 H new ATOM 0 HH TYR A 102 0.116 7.936 8.788 1.00 0.00 H new ATOM 1483 N SER A 103 -6.316 11.013 6.825 1.00 0.00 N ATOM 1484 CA SER A 103 -6.261 12.027 7.863 1.00 0.00 C ATOM 1485 C SER A 103 -6.912 11.501 9.144 1.00 0.00 C ATOM 1486 O SER A 103 -6.505 11.864 10.246 1.00 0.00 O ATOM 1487 CB SER A 103 -6.948 13.317 7.410 1.00 0.00 C ATOM 1488 OG SER A 103 -6.553 14.438 8.197 1.00 0.00 O ATOM 0 H SER A 103 -6.662 11.343 5.924 1.00 0.00 H new ATOM 0 HA SER A 103 -5.214 12.255 8.062 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.709 13.507 6.364 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.029 13.193 7.473 1.00 0.00 H new ATOM 0 HG SER A 103 -7.012 15.242 7.875 1.00 0.00 H new ATOM 1494 N ARG A 104 -7.913 10.654 8.956 1.00 0.00 N ATOM 1495 CA ARG A 104 -8.625 10.074 10.082 1.00 0.00 C ATOM 1496 C ARG A 104 -7.675 9.223 10.929 1.00 0.00 C ATOM 1497 O ARG A 104 -7.811 9.165 12.150 1.00 0.00 O ATOM 1498 CB ARG A 104 -9.791 9.205 9.609 1.00 0.00 C ATOM 1499 CG ARG A 104 -9.305 8.096 8.673 1.00 0.00 C ATOM 1500 CD ARG A 104 -10.290 7.876 7.524 1.00 0.00 C ATOM 1501 NE ARG A 104 -9.643 7.099 6.444 1.00 0.00 N ATOM 1502 CZ ARG A 104 -9.480 5.769 6.469 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -9.917 5.060 7.519 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -8.881 5.147 5.444 1.00 0.00 N ATOM 0 H ARG A 104 -8.248 10.355 8.040 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.019 10.894 10.683 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.293 8.765 10.470 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.525 9.824 9.094 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.326 8.357 8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.183 7.170 9.234 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.171 7.347 7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.631 8.836 7.138 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.299 7.607 5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.374 5.533 8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.793 4.048 7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.549 5.686 4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.757 4.135 5.464 1.00 0.00 H new ATOM 1518 N PHE A 105 -6.736 8.586 10.246 1.00 0.00 N ATOM 1519 CA PHE A 105 -5.764 7.741 10.920 1.00 0.00 C ATOM 1520 C PHE A 105 -4.646 8.580 11.541 1.00 0.00 C ATOM 1521 O PHE A 105 -4.050 8.184 12.542 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.163 6.817 9.860 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.082 5.665 9.446 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.738 4.944 10.393 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -6.242 5.363 8.129 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.590 3.875 10.009 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.094 4.295 7.745 1.00 0.00 C ATOM 1528 CZ PHE A 105 -7.751 3.573 8.693 1.00 0.00 C ATOM 0 H PHE A 105 -6.627 8.638 9.233 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.249 7.181 11.720 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.916 7.406 8.977 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.228 6.404 10.240 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.611 5.184 11.438 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.721 5.936 7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.110 3.302 10.762 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.221 4.055 6.700 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.400 2.761 8.400 1.00 0.00 H new