USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 518 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 17 SER OG : rot -160:sc= -1.71! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.402 K(o=-0.4,f=-2.7!) USER MOD Single : A 45 SER OG : rot -35:sc= 0.358 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -148:sc= -0.388 (180deg=-0.685) USER MOD Single : A 54 GLN : amide:sc= -3.62! C(o=-3.6!,f=-2.4!) USER MOD Single : A 56 HIS : no HD1:sc= -0.483 K(o=-0.48,f=-1.6) USER MOD Single : A 59 TYR OH : rot 180:sc=-0.00497 USER MOD Single : A 60 GLN : amide:sc= -0.125 K(o=-0.12,f=-3.1!) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.109) USER MOD Single : A 71 GLN : amide:sc= -0.527 K(o=-0.53,f=-2) USER MOD Single : A 73 THR OG1 : rot 71:sc= -7.89! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -5.53! C(o=-5.5!,f=-5.2!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N ALA A 14 1.692 -10.946 8.940 1.00 0.00 N ATOM 91 CA ALA A 14 1.616 -10.089 7.736 1.00 0.00 C ATOM 92 C ALA A 14 0.432 -9.136 7.858 1.00 0.00 C ATOM 93 O ALA A 14 0.462 -8.029 7.360 1.00 0.00 O ATOM 94 CB ALA A 14 1.467 -10.932 6.482 1.00 0.00 C ATOM 0 HA ALA A 14 2.541 -9.517 7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.413 -10.280 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.326 -11.596 6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.555 -11.525 6.549 1.00 0.00 H new ATOM 100 N VAL A 15 -0.610 -9.535 8.533 1.00 0.00 N ATOM 101 CA VAL A 15 -1.757 -8.606 8.680 1.00 0.00 C ATOM 102 C VAL A 15 -1.208 -7.301 9.238 1.00 0.00 C ATOM 103 O VAL A 15 -1.398 -6.229 8.680 1.00 0.00 O ATOM 104 CB VAL A 15 -2.795 -9.191 9.623 1.00 0.00 C ATOM 105 CG1 VAL A 15 -4.109 -8.429 9.438 1.00 0.00 C ATOM 106 CG2 VAL A 15 -3.005 -10.667 9.285 1.00 0.00 C ATOM 0 H VAL A 15 -0.714 -10.446 8.980 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.245 -8.440 7.719 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.459 -9.102 10.656 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.864 -8.838 10.109 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.953 -7.375 9.666 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.447 -8.531 8.407 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.749 -11.092 9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.353 -10.759 8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.063 -11.204 9.399 1.00 0.00 H new ATOM 116 N GLU A 16 -0.472 -7.386 10.313 1.00 0.00 N ATOM 117 CA GLU A 16 0.134 -6.163 10.864 1.00 0.00 C ATOM 118 C GLU A 16 1.197 -5.719 9.866 1.00 0.00 C ATOM 119 O GLU A 16 1.416 -4.550 9.668 1.00 0.00 O ATOM 120 CB GLU A 16 0.749 -6.450 12.243 1.00 0.00 C ATOM 121 CG GLU A 16 1.866 -5.444 12.541 1.00 0.00 C ATOM 122 CD GLU A 16 3.199 -5.998 12.036 1.00 0.00 C ATOM 123 OE1 GLU A 16 3.524 -5.744 10.888 1.00 0.00 O ATOM 124 OE2 GLU A 16 3.871 -6.666 12.805 1.00 0.00 O ATOM 0 H GLU A 16 -0.271 -8.246 10.823 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.608 -5.377 11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.020 -6.389 13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.146 -7.465 12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.650 -4.491 12.058 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.922 -5.253 13.613 1.00 0.00 H new ATOM 131 N SER A 17 1.851 -6.650 9.211 1.00 0.00 N ATOM 132 CA SER A 17 2.875 -6.242 8.208 1.00 0.00 C ATOM 133 C SER A 17 2.253 -5.201 7.280 1.00 0.00 C ATOM 134 O SER A 17 2.790 -4.124 7.080 1.00 0.00 O ATOM 135 CB SER A 17 3.343 -7.430 7.380 1.00 0.00 C ATOM 136 OG SER A 17 4.061 -8.329 8.218 1.00 0.00 O ATOM 0 H SER A 17 1.721 -7.655 9.327 1.00 0.00 H new ATOM 0 HA SER A 17 3.738 -5.833 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.488 -7.936 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.978 -7.091 6.561 1.00 0.00 H new ATOM 0 HG SER A 17 4.624 -8.911 7.666 1.00 0.00 H new ATOM 142 N LYS A 18 1.113 -5.507 6.716 1.00 0.00 N ATOM 143 CA LYS A 18 0.456 -4.528 5.812 1.00 0.00 C ATOM 144 C LYS A 18 0.186 -3.246 6.592 1.00 0.00 C ATOM 145 O LYS A 18 0.507 -2.159 6.150 1.00 0.00 O ATOM 146 CB LYS A 18 -0.870 -5.093 5.292 1.00 0.00 C ATOM 147 CG LYS A 18 -1.518 -4.076 4.344 1.00 0.00 C ATOM 148 CD LYS A 18 -0.472 -3.588 3.341 1.00 0.00 C ATOM 149 CE LYS A 18 -1.154 -3.235 2.019 1.00 0.00 C ATOM 150 NZ LYS A 18 -0.128 -2.768 1.043 1.00 0.00 N ATOM 0 H LYS A 18 0.615 -6.388 6.844 1.00 0.00 H new ATOM 0 HA LYS A 18 1.109 -4.325 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.698 -6.035 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.539 -5.308 6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.357 -4.533 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.916 -3.235 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.048 -2.716 3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.280 -4.361 3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.679 -4.105 1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.901 -2.457 2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.590 -2.527 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.353 -1.927 1.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.569 -3.523 0.884 1.00 0.00 H new ATOM 164 N LEU A 19 -0.403 -3.360 7.751 1.00 0.00 N ATOM 165 CA LEU A 19 -0.689 -2.135 8.548 1.00 0.00 C ATOM 166 C LEU A 19 0.620 -1.432 8.903 1.00 0.00 C ATOM 167 O LEU A 19 0.718 -0.230 8.832 1.00 0.00 O ATOM 168 CB LEU A 19 -1.440 -2.514 9.825 1.00 0.00 C ATOM 169 CG LEU A 19 -2.722 -3.256 9.454 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.122 -4.184 10.598 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.842 -2.243 9.202 1.00 0.00 C ATOM 0 H LEU A 19 -0.696 -4.239 8.177 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.307 -1.459 7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.812 -3.142 10.457 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.677 -1.619 10.400 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.554 -3.844 8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.037 -4.714 10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.324 -4.905 10.778 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.291 -3.597 11.501 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.758 -2.771 8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.010 -1.655 10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.556 -1.580 8.385 1.00 0.00 H new ATOM 183 N ALA A 20 1.631 -2.162 9.275 1.00 0.00 N ATOM 184 CA ALA A 20 2.922 -1.508 9.612 1.00 0.00 C ATOM 185 C ALA A 20 3.316 -0.610 8.443 1.00 0.00 C ATOM 186 O ALA A 20 3.705 0.527 8.622 1.00 0.00 O ATOM 187 CB ALA A 20 3.998 -2.576 9.827 1.00 0.00 C ATOM 0 H ALA A 20 1.620 -3.178 9.360 1.00 0.00 H new ATOM 0 HA ALA A 20 2.823 -0.920 10.525 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.944 -2.095 10.074 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.701 -3.233 10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.116 -3.162 8.916 1.00 0.00 H new ATOM 193 N GLU A 21 3.203 -1.109 7.238 1.00 0.00 N ATOM 194 CA GLU A 21 3.557 -0.276 6.054 1.00 0.00 C ATOM 195 C GLU A 21 2.590 0.906 5.973 1.00 0.00 C ATOM 196 O GLU A 21 2.979 2.045 6.148 1.00 0.00 O ATOM 197 CB GLU A 21 3.455 -1.118 4.779 1.00 0.00 C ATOM 198 CG GLU A 21 4.850 -1.294 4.176 1.00 0.00 C ATOM 199 CD GLU A 21 4.847 -0.797 2.729 1.00 0.00 C ATOM 200 OE1 GLU A 21 3.791 -0.817 2.119 1.00 0.00 O ATOM 201 OE2 GLU A 21 5.901 -0.404 2.256 1.00 0.00 O ATOM 0 H GLU A 21 2.882 -2.054 7.026 1.00 0.00 H new ATOM 0 HA GLU A 21 4.579 0.090 6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.019 -2.091 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.794 -0.632 4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.583 -0.739 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.143 -2.343 4.211 1.00 0.00 H new ATOM 208 N ILE A 22 1.332 0.653 5.723 1.00 0.00 N ATOM 209 CA ILE A 22 0.351 1.779 5.653 1.00 0.00 C ATOM 210 C ILE A 22 0.610 2.714 6.834 1.00 0.00 C ATOM 211 O ILE A 22 0.710 3.916 6.690 1.00 0.00 O ATOM 212 CB ILE A 22 -1.085 1.229 5.683 1.00 0.00 C ATOM 213 CG1 ILE A 22 -2.035 2.186 6.403 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.122 -0.108 6.374 1.00 0.00 C ATOM 215 CD1 ILE A 22 -2.224 3.444 5.559 1.00 0.00 C ATOM 0 H ILE A 22 0.942 -0.276 5.565 1.00 0.00 H new ATOM 0 HA ILE A 22 0.471 2.333 4.722 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.412 1.120 4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.996 1.702 6.574 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.632 2.448 7.381 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.145 -0.483 6.387 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.484 -0.812 5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.763 0.001 7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.901 4.127 6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.260 3.931 5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.646 3.173 4.591 1.00 0.00 H new ATOM 227 N TRP A 23 0.730 2.153 7.993 1.00 0.00 N ATOM 228 CA TRP A 23 0.996 2.963 9.210 1.00 0.00 C ATOM 229 C TRP A 23 2.115 3.969 8.949 1.00 0.00 C ATOM 230 O TRP A 23 1.907 5.165 8.963 1.00 0.00 O ATOM 231 CB TRP A 23 1.447 2.029 10.327 1.00 0.00 C ATOM 232 CG TRP A 23 0.296 1.727 11.216 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.769 0.965 10.889 1.00 0.00 C ATOM 234 CD2 TRP A 23 0.082 2.178 12.572 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.627 0.920 11.971 1.00 0.00 N ATOM 236 CE2 TRP A 23 -1.143 1.658 13.035 1.00 0.00 C ATOM 237 CE3 TRP A 23 0.834 2.984 13.434 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.611 1.932 14.321 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.372 3.267 14.726 1.00 0.00 C ATOM 240 CH2 TRP A 23 -0.852 2.742 15.170 1.00 0.00 C ATOM 0 H TRP A 23 0.654 1.149 8.156 1.00 0.00 H new ATOM 0 HA TRP A 23 0.087 3.497 9.485 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.846 1.107 9.905 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.251 2.491 10.900 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.924 0.473 9.940 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.508 0.406 11.983 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.777 3.391 13.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.552 1.522 14.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 0.960 3.891 15.383 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.206 2.964 16.166 1.00 0.00 H new ATOM 251 N GLU A 24 3.308 3.486 8.743 1.00 0.00 N ATOM 252 CA GLU A 24 4.457 4.418 8.518 1.00 0.00 C ATOM 253 C GLU A 24 4.246 5.222 7.233 1.00 0.00 C ATOM 254 O GLU A 24 4.706 6.340 7.108 1.00 0.00 O ATOM 255 CB GLU A 24 5.787 3.650 8.421 1.00 0.00 C ATOM 256 CG GLU A 24 5.559 2.206 7.969 1.00 0.00 C ATOM 257 CD GLU A 24 6.717 1.767 7.073 1.00 0.00 C ATOM 258 OE1 GLU A 24 7.099 2.541 6.211 1.00 0.00 O ATOM 259 OE2 GLU A 24 7.204 0.664 7.265 1.00 0.00 O ATOM 0 H GLU A 24 3.540 2.493 8.720 1.00 0.00 H new ATOM 0 HA GLU A 24 4.504 5.095 9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.451 4.154 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.285 3.656 9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.486 1.549 8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.616 2.127 7.428 1.00 0.00 H new ATOM 266 N ARG A 25 3.567 4.664 6.272 1.00 0.00 N ATOM 267 CA ARG A 25 3.343 5.398 4.994 1.00 0.00 C ATOM 268 C ARG A 25 2.356 6.551 5.211 1.00 0.00 C ATOM 269 O ARG A 25 2.688 7.707 5.041 1.00 0.00 O ATOM 270 CB ARG A 25 2.773 4.431 3.950 1.00 0.00 C ATOM 271 CG ARG A 25 2.145 5.220 2.795 1.00 0.00 C ATOM 272 CD ARG A 25 2.068 4.337 1.550 1.00 0.00 C ATOM 273 NE ARG A 25 3.353 4.421 0.797 1.00 0.00 N ATOM 274 CZ ARG A 25 3.354 4.332 -0.506 1.00 0.00 C ATOM 275 NH1 ARG A 25 2.450 4.962 -1.205 1.00 0.00 N ATOM 276 NH2 ARG A 25 4.259 3.611 -1.110 1.00 0.00 N ATOM 0 H ARG A 25 3.157 3.731 6.315 1.00 0.00 H new ATOM 0 HA ARG A 25 4.292 5.805 4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.564 3.783 3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.025 3.785 4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.148 5.560 3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.738 6.110 2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.869 3.304 1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.241 4.657 0.916 1.00 0.00 H new ATOM 0 HE ARG A 25 4.231 4.548 1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.742 5.525 -0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.452 4.892 -2.223 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.965 3.117 -0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.260 3.541 -2.128 1.00 0.00 H new ATOM 290 N VAL A 26 1.139 6.240 5.556 1.00 0.00 N ATOM 291 CA VAL A 26 0.122 7.311 5.750 1.00 0.00 C ATOM 292 C VAL A 26 0.405 8.116 7.023 1.00 0.00 C ATOM 293 O VAL A 26 0.159 9.302 7.076 1.00 0.00 O ATOM 294 CB VAL A 26 -1.264 6.670 5.838 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.314 7.746 6.124 1.00 0.00 C ATOM 296 CG2 VAL A 26 -1.586 5.991 4.504 1.00 0.00 C ATOM 0 H VAL A 26 0.803 5.290 5.712 1.00 0.00 H new ATOM 0 HA VAL A 26 0.165 7.996 4.903 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.275 5.934 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.300 7.285 6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.083 8.237 7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.308 8.483 5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.573 5.531 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.575 6.733 3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.840 5.224 4.297 1.00 0.00 H new ATOM 306 N LEU A 27 0.912 7.495 8.052 1.00 0.00 N ATOM 307 CA LEU A 27 1.185 8.257 9.304 1.00 0.00 C ATOM 308 C LEU A 27 2.493 9.043 9.166 1.00 0.00 C ATOM 309 O LEU A 27 2.945 9.678 10.099 1.00 0.00 O ATOM 310 CB LEU A 27 1.282 7.288 10.482 1.00 0.00 C ATOM 311 CG LEU A 27 0.047 6.384 10.499 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.196 5.338 11.604 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.207 7.225 10.763 1.00 0.00 C ATOM 0 H LEU A 27 1.147 6.503 8.081 1.00 0.00 H new ATOM 0 HA LEU A 27 0.370 8.959 9.481 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.186 6.685 10.398 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.354 7.842 11.418 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.047 5.887 9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.683 4.694 11.616 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.085 4.735 11.417 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.293 5.838 12.568 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.084 6.577 10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.113 7.725 11.727 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.317 7.971 9.976 1.00 0.00 H new ATOM 325 N GLY A 28 3.095 9.018 8.010 1.00 0.00 N ATOM 326 CA GLY A 28 4.364 9.777 7.808 1.00 0.00 C ATOM 327 C GLY A 28 5.395 9.380 8.868 1.00 0.00 C ATOM 328 O GLY A 28 6.006 10.221 9.495 1.00 0.00 O ATOM 0 H GLY A 28 2.764 8.504 7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.761 9.577 6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.168 10.848 7.864 1.00 0.00 H new ATOM 332 N VAL A 29 5.603 8.108 9.068 1.00 0.00 N ATOM 333 CA VAL A 29 6.607 7.673 10.083 1.00 0.00 C ATOM 334 C VAL A 29 7.480 6.574 9.485 1.00 0.00 C ATOM 335 O VAL A 29 7.307 6.178 8.349 1.00 0.00 O ATOM 336 CB VAL A 29 5.911 7.131 11.341 1.00 0.00 C ATOM 337 CG1 VAL A 29 6.465 7.850 12.572 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.400 7.365 11.256 1.00 0.00 C ATOM 0 H VAL A 29 5.125 7.353 8.576 1.00 0.00 H new ATOM 0 HA VAL A 29 7.216 8.533 10.362 1.00 0.00 H new ATOM 0 HB VAL A 29 6.099 6.060 11.417 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.974 7.469 13.468 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.538 7.674 12.644 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.278 8.920 12.483 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.920 6.976 12.154 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.201 8.434 11.173 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.001 6.852 10.381 1.00 0.00 H new ATOM 348 N SER A 30 8.417 6.074 10.241 1.00 0.00 N ATOM 349 CA SER A 30 9.296 4.998 9.710 1.00 0.00 C ATOM 350 C SER A 30 9.542 3.958 10.804 1.00 0.00 C ATOM 351 O SER A 30 10.139 4.241 11.823 1.00 0.00 O ATOM 352 CB SER A 30 10.629 5.598 9.266 1.00 0.00 C ATOM 353 OG SER A 30 11.664 4.646 9.471 1.00 0.00 O ATOM 0 H SER A 30 8.611 6.363 11.200 1.00 0.00 H new ATOM 0 HA SER A 30 8.813 4.522 8.857 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.582 5.880 8.214 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.838 6.507 9.831 1.00 0.00 H new ATOM 0 HG SER A 30 12.520 5.027 9.186 1.00 0.00 H new ATOM 359 N GLY A 31 9.079 2.757 10.601 1.00 0.00 N ATOM 360 CA GLY A 31 9.274 1.698 11.629 1.00 0.00 C ATOM 361 C GLY A 31 7.905 1.209 12.094 1.00 0.00 C ATOM 362 O GLY A 31 7.499 0.102 11.803 1.00 0.00 O ATOM 0 H GLY A 31 8.573 2.462 9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.850 0.871 11.215 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.842 2.090 12.473 1.00 0.00 H new ATOM 366 N ILE A 32 7.183 2.033 12.805 1.00 0.00 N ATOM 367 CA ILE A 32 5.831 1.624 13.281 1.00 0.00 C ATOM 368 C ILE A 32 5.943 0.342 14.110 1.00 0.00 C ATOM 369 O ILE A 32 6.290 -0.709 13.609 1.00 0.00 O ATOM 370 CB ILE A 32 4.927 1.390 12.070 1.00 0.00 C ATOM 371 CG1 ILE A 32 4.950 2.636 11.176 1.00 0.00 C ATOM 372 CG2 ILE A 32 3.497 1.104 12.535 1.00 0.00 C ATOM 373 CD1 ILE A 32 4.085 3.744 11.781 1.00 0.00 C ATOM 0 H ILE A 32 7.472 2.973 13.077 1.00 0.00 H new ATOM 0 HA ILE A 32 5.405 2.409 13.906 1.00 0.00 H new ATOM 0 HB ILE A 32 5.289 0.531 11.504 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.975 2.989 11.060 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.585 2.384 10.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.859 0.938 11.667 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.490 0.215 13.165 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.122 1.955 13.104 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.112 4.621 11.134 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.057 3.393 11.874 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.469 4.008 12.767 1.00 0.00 H new ATOM 385 N GLY A 33 5.663 0.425 15.381 1.00 0.00 N ATOM 386 CA GLY A 33 5.764 -0.779 16.254 1.00 0.00 C ATOM 387 C GLY A 33 4.561 -1.703 16.026 1.00 0.00 C ATOM 388 O GLY A 33 4.063 -1.826 14.924 1.00 0.00 O ATOM 0 H GLY A 33 5.367 1.278 15.855 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.689 -1.315 16.041 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.805 -0.476 17.300 1.00 0.00 H new ATOM 392 N ILE A 34 4.097 -2.366 17.057 1.00 0.00 N ATOM 393 CA ILE A 34 2.939 -3.291 16.892 1.00 0.00 C ATOM 394 C ILE A 34 1.693 -2.701 17.555 1.00 0.00 C ATOM 395 O ILE A 34 0.663 -2.615 16.943 1.00 0.00 O ATOM 396 CB ILE A 34 3.271 -4.652 17.514 1.00 0.00 C ATOM 397 CG1 ILE A 34 4.259 -4.470 18.671 1.00 0.00 C ATOM 398 CG2 ILE A 34 3.899 -5.555 16.452 1.00 0.00 C ATOM 399 CD1 ILE A 34 4.640 -5.839 19.239 1.00 0.00 C ATOM 0 H ILE A 34 4.471 -2.305 18.004 1.00 0.00 H new ATOM 0 HA ILE A 34 2.739 -3.423 15.829 1.00 0.00 H new ATOM 0 HB ILE A 34 2.355 -5.106 17.891 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.150 -3.948 18.323 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.812 -3.853 19.451 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.136 -6.524 16.892 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.197 -5.692 15.630 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.812 -5.094 16.076 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.343 -5.709 20.062 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.745 -6.344 19.603 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.104 -6.441 18.458 1.00 0.00 H new ATOM 411 N LEU A 35 1.752 -2.277 18.781 1.00 0.00 N ATOM 412 CA LEU A 35 0.520 -1.695 19.379 1.00 0.00 C ATOM 413 C LEU A 35 0.711 -0.190 19.556 1.00 0.00 C ATOM 414 O LEU A 35 0.374 0.386 20.570 1.00 0.00 O ATOM 415 CB LEU A 35 0.190 -2.354 20.715 1.00 0.00 C ATOM 416 CG LEU A 35 -1.253 -2.023 21.085 1.00 0.00 C ATOM 417 CD1 LEU A 35 -2.054 -3.316 21.251 1.00 0.00 C ATOM 418 CD2 LEU A 35 -1.270 -1.237 22.394 1.00 0.00 C ATOM 0 H LEU A 35 2.574 -2.305 19.384 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.319 -1.880 18.708 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.324 -3.434 20.646 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.869 -1.997 21.489 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.703 -1.424 20.293 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.084 -3.075 21.515 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.041 -3.875 20.315 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.609 -3.921 22.041 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.299 -0.999 22.662 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.819 -1.837 23.184 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.704 -0.314 22.271 1.00 0.00 H new ATOM 430 N ASP A 36 1.233 0.442 18.543 1.00 0.00 N ATOM 431 CA ASP A 36 1.444 1.916 18.584 1.00 0.00 C ATOM 432 C ASP A 36 0.097 2.629 18.757 1.00 0.00 C ATOM 433 O ASP A 36 -0.897 2.025 19.105 1.00 0.00 O ATOM 434 CB ASP A 36 2.065 2.356 17.257 1.00 0.00 C ATOM 435 CG ASP A 36 3.573 2.547 17.432 1.00 0.00 C ATOM 436 OD1 ASP A 36 4.117 1.985 18.367 1.00 0.00 O ATOM 437 OD2 ASP A 36 4.158 3.252 16.626 1.00 0.00 O ATOM 0 H ASP A 36 1.527 -0.007 17.675 1.00 0.00 H new ATOM 0 HA ASP A 36 2.099 2.169 19.418 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.870 1.609 16.488 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.607 3.286 16.921 1.00 0.00 H new ATOM 442 N ASN A 37 0.062 3.909 18.499 1.00 0.00 N ATOM 443 CA ASN A 37 -1.213 4.673 18.624 1.00 0.00 C ATOM 444 C ASN A 37 -1.359 5.582 17.399 1.00 0.00 C ATOM 445 O ASN A 37 -0.534 6.439 17.152 1.00 0.00 O ATOM 446 CB ASN A 37 -1.177 5.525 19.897 1.00 0.00 C ATOM 447 CG ASN A 37 -2.195 4.984 20.903 1.00 0.00 C ATOM 448 OD1 ASN A 37 -2.712 3.897 20.739 1.00 0.00 O ATOM 449 ND2 ASN A 37 -2.506 5.703 21.947 1.00 0.00 N ATOM 0 H ASN A 37 0.867 4.462 18.205 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.057 3.986 18.680 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.177 5.508 20.331 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.403 6.564 19.658 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.183 5.352 22.625 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.072 6.616 22.085 1.00 0.00 H new ATOM 456 N PHE A 38 -2.391 5.398 16.618 1.00 0.00 N ATOM 457 CA PHE A 38 -2.557 6.262 15.398 1.00 0.00 C ATOM 458 C PHE A 38 -2.378 7.728 15.789 1.00 0.00 C ATOM 459 O PHE A 38 -2.056 8.561 14.965 1.00 0.00 O ATOM 460 CB PHE A 38 -3.957 6.082 14.767 1.00 0.00 C ATOM 461 CG PHE A 38 -4.125 4.684 14.208 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.399 4.262 13.085 1.00 0.00 C ATOM 463 CD2 PHE A 38 -4.995 3.799 14.838 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.554 2.957 12.604 1.00 0.00 C ATOM 465 CE2 PHE A 38 -5.143 2.493 14.366 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.423 2.069 13.251 1.00 0.00 C ATOM 0 H PHE A 38 -3.120 4.699 16.763 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.805 5.964 14.667 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.725 6.272 15.517 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.099 6.815 13.972 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.721 4.943 12.592 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.560 4.125 15.699 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.003 2.634 11.733 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.816 1.811 14.865 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.535 1.058 12.887 1.00 0.00 H new ATOM 563 N SER A 45 -7.592 12.283 13.201 1.00 0.00 N ATOM 564 CA SER A 45 -7.932 10.839 13.088 1.00 0.00 C ATOM 565 C SER A 45 -8.091 10.468 11.613 1.00 0.00 C ATOM 566 O SER A 45 -8.273 9.317 11.269 1.00 0.00 O ATOM 567 CB SER A 45 -9.244 10.565 13.823 1.00 0.00 C ATOM 568 OG SER A 45 -9.543 9.177 13.747 1.00 0.00 O ATOM 0 HA SER A 45 -7.135 10.243 13.531 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.162 10.875 14.865 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.051 11.148 13.380 1.00 0.00 H new ATOM 0 HG SER A 45 -9.252 8.827 12.879 1.00 0.00 H new ATOM 574 N LEU A 46 -8.027 11.433 10.734 1.00 0.00 N ATOM 575 CA LEU A 46 -8.182 11.119 9.288 1.00 0.00 C ATOM 576 C LEU A 46 -7.025 10.232 8.830 1.00 0.00 C ATOM 577 O LEU A 46 -7.232 9.156 8.304 1.00 0.00 O ATOM 578 CB LEU A 46 -8.193 12.403 8.466 1.00 0.00 C ATOM 579 CG LEU A 46 -8.623 12.063 7.040 1.00 0.00 C ATOM 580 CD1 LEU A 46 -10.132 11.809 7.010 1.00 0.00 C ATOM 581 CD2 LEU A 46 -8.278 13.224 6.108 1.00 0.00 C ATOM 0 H LEU A 46 -7.875 12.417 10.955 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.127 10.596 9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.878 13.128 8.905 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.203 12.860 8.464 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.098 11.168 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.440 11.566 5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.374 10.977 7.671 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.658 12.703 7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.586 12.979 5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.799 14.123 6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.203 13.400 6.129 1.00 0.00 H new ATOM 593 N LYS A 47 -5.809 10.672 9.027 1.00 0.00 N ATOM 594 CA LYS A 47 -4.642 9.844 8.606 1.00 0.00 C ATOM 595 C LYS A 47 -4.906 8.394 9.008 1.00 0.00 C ATOM 596 O LYS A 47 -4.946 7.500 8.179 1.00 0.00 O ATOM 597 CB LYS A 47 -3.375 10.350 9.299 1.00 0.00 C ATOM 598 CG LYS A 47 -2.896 11.636 8.619 1.00 0.00 C ATOM 599 CD LYS A 47 -1.926 11.287 7.490 1.00 0.00 C ATOM 600 CE LYS A 47 -0.703 12.204 7.563 1.00 0.00 C ATOM 601 NZ LYS A 47 -0.592 12.984 6.299 1.00 0.00 N ATOM 0 H LYS A 47 -5.575 11.566 9.460 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.504 9.912 7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.576 10.537 10.354 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.595 9.590 9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.748 12.189 8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.406 12.283 9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.617 10.245 7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.420 11.399 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.792 12.880 8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.199 11.613 7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.239 13.608 6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.488 12.331 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.449 13.559 6.169 1.00 0.00 H new ATOM 615 N ALA A 48 -5.116 8.149 10.272 1.00 0.00 N ATOM 616 CA ALA A 48 -5.408 6.760 10.698 1.00 0.00 C ATOM 617 C ALA A 48 -6.545 6.238 9.827 1.00 0.00 C ATOM 618 O ALA A 48 -6.500 5.129 9.332 1.00 0.00 O ATOM 619 CB ALA A 48 -5.822 6.738 12.168 1.00 0.00 C ATOM 0 H ALA A 48 -5.098 8.845 11.018 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.523 6.133 10.586 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.034 5.713 12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.013 7.137 12.780 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.715 7.349 12.304 1.00 0.00 H new ATOM 625 N MET A 49 -7.557 7.040 9.597 1.00 0.00 N ATOM 626 CA MET A 49 -8.661 6.574 8.716 1.00 0.00 C ATOM 627 C MET A 49 -8.012 6.047 7.445 1.00 0.00 C ATOM 628 O MET A 49 -8.263 4.941 7.020 1.00 0.00 O ATOM 629 CB MET A 49 -9.608 7.736 8.360 1.00 0.00 C ATOM 630 CG MET A 49 -10.986 7.230 7.865 1.00 0.00 C ATOM 631 SD MET A 49 -10.921 5.480 7.358 1.00 0.00 S ATOM 632 CE MET A 49 -12.302 5.507 6.188 1.00 0.00 C ATOM 0 H MET A 49 -7.662 7.981 9.976 1.00 0.00 H new ATOM 0 HA MET A 49 -9.250 5.808 9.220 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.748 8.371 9.235 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.150 8.354 7.588 1.00 0.00 H new ATOM 0 HG2 MET A 49 -11.724 7.352 8.658 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.317 7.840 7.025 1.00 0.00 H new ATOM 0 HE1 MET A 49 -12.799 4.537 6.189 1.00 0.00 H new ATOM 0 HE2 MET A 49 -13.013 6.279 6.482 1.00 0.00 H new ATOM 0 HE3 MET A 49 -11.927 5.721 5.187 1.00 0.00 H new ATOM 642 N ALA A 50 -7.143 6.824 6.849 1.00 0.00 N ATOM 643 CA ALA A 50 -6.449 6.343 5.629 1.00 0.00 C ATOM 644 C ALA A 50 -5.947 4.935 5.921 1.00 0.00 C ATOM 645 O ALA A 50 -6.081 4.031 5.120 1.00 0.00 O ATOM 646 CB ALA A 50 -5.268 7.262 5.305 1.00 0.00 C ATOM 0 H ALA A 50 -6.889 7.763 7.156 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.124 6.343 4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.763 6.903 4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.631 8.276 5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.568 7.263 6.140 1.00 0.00 H new ATOM 652 N VAL A 51 -5.396 4.738 7.091 1.00 0.00 N ATOM 653 CA VAL A 51 -4.916 3.381 7.465 1.00 0.00 C ATOM 654 C VAL A 51 -6.110 2.429 7.458 1.00 0.00 C ATOM 655 O VAL A 51 -6.155 1.474 6.704 1.00 0.00 O ATOM 656 CB VAL A 51 -4.303 3.423 8.864 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.546 2.122 9.132 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.335 4.602 8.961 1.00 0.00 C ATOM 0 H VAL A 51 -5.259 5.459 7.800 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.160 3.041 6.757 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.096 3.540 9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.110 2.154 10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.235 1.280 9.064 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.753 2.003 8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.897 4.632 9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.543 4.485 8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.873 5.531 8.772 1.00 0.00 H new ATOM 668 N ALA A 52 -7.095 2.685 8.278 1.00 0.00 N ATOM 669 CA ALA A 52 -8.286 1.795 8.282 1.00 0.00 C ATOM 670 C ALA A 52 -8.712 1.590 6.830 1.00 0.00 C ATOM 671 O ALA A 52 -9.000 0.489 6.403 1.00 0.00 O ATOM 672 CB ALA A 52 -9.420 2.442 9.080 1.00 0.00 C ATOM 0 H ALA A 52 -7.125 3.463 8.937 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.050 0.838 8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.288 1.783 9.078 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.094 2.608 10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.687 3.396 8.625 1.00 0.00 H new ATOM 678 N ALA A 53 -8.712 2.643 6.054 1.00 0.00 N ATOM 679 CA ALA A 53 -9.069 2.504 4.620 1.00 0.00 C ATOM 680 C ALA A 53 -8.092 1.505 4.012 1.00 0.00 C ATOM 681 O ALA A 53 -8.463 0.636 3.251 1.00 0.00 O ATOM 682 CB ALA A 53 -8.937 3.857 3.917 1.00 0.00 C ATOM 0 H ALA A 53 -8.480 3.589 6.355 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.097 2.162 4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.200 3.748 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.607 4.578 4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.909 4.211 3.999 1.00 0.00 H new ATOM 688 N GLN A 54 -6.842 1.604 4.383 1.00 0.00 N ATOM 689 CA GLN A 54 -5.839 0.636 3.873 1.00 0.00 C ATOM 690 C GLN A 54 -6.345 -0.761 4.219 1.00 0.00 C ATOM 691 O GLN A 54 -6.099 -1.722 3.519 1.00 0.00 O ATOM 692 CB GLN A 54 -4.487 0.890 4.550 1.00 0.00 C ATOM 693 CG GLN A 54 -3.437 -0.046 3.957 1.00 0.00 C ATOM 694 CD GLN A 54 -2.739 0.635 2.776 1.00 0.00 C ATOM 695 OE1 GLN A 54 -1.663 0.233 2.380 1.00 0.00 O ATOM 696 NE2 GLN A 54 -3.306 1.656 2.193 1.00 0.00 N ATOM 0 H GLN A 54 -6.477 2.315 5.017 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.705 0.740 2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.186 1.928 4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.570 0.727 5.625 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.704 -0.314 4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.908 -0.972 3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.209 1.995 2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.846 2.115 1.407 1.00 0.00 H new ATOM 705 N VAL A 55 -7.076 -0.863 5.299 1.00 0.00 N ATOM 706 CA VAL A 55 -7.637 -2.181 5.710 1.00 0.00 C ATOM 707 C VAL A 55 -8.818 -2.527 4.798 1.00 0.00 C ATOM 708 O VAL A 55 -8.816 -3.532 4.118 1.00 0.00 O ATOM 709 CB VAL A 55 -8.125 -2.101 7.159 1.00 0.00 C ATOM 710 CG1 VAL A 55 -8.382 -3.511 7.690 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.062 -1.422 8.024 1.00 0.00 C ATOM 0 H VAL A 55 -7.309 -0.085 5.916 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.867 -2.948 5.629 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.048 -1.522 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.729 -3.454 8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.141 -3.997 7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.459 -4.089 7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.413 -1.367 9.055 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.138 -1.999 7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.877 -0.415 7.649 1.00 0.00 H new ATOM 721 N HIS A 56 -9.826 -1.700 4.778 1.00 0.00 N ATOM 722 CA HIS A 56 -11.005 -1.979 3.907 1.00 0.00 C ATOM 723 C HIS A 56 -10.540 -2.112 2.457 1.00 0.00 C ATOM 724 O HIS A 56 -11.105 -2.853 1.678 1.00 0.00 O ATOM 725 CB HIS A 56 -12.001 -0.819 4.021 1.00 0.00 C ATOM 726 CG HIS A 56 -13.302 -1.195 3.367 1.00 0.00 C ATOM 727 ND1 HIS A 56 -13.442 -1.280 1.991 1.00 0.00 N ATOM 728 CD2 HIS A 56 -14.536 -1.497 3.889 1.00 0.00 C ATOM 729 CE1 HIS A 56 -14.720 -1.617 1.734 1.00 0.00 C ATOM 730 NE2 HIS A 56 -15.429 -1.762 2.857 1.00 0.00 N ATOM 0 H HIS A 56 -9.886 -0.842 5.327 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.486 -2.905 4.221 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.169 -0.574 5.070 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.590 0.072 3.547 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -14.776 -1.524 4.942 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -15.123 -1.753 0.741 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -16.414 -2.013 2.940 1.00 0.00 H new ATOM 738 N ARG A 57 -9.511 -1.404 2.087 1.00 0.00 N ATOM 739 CA ARG A 57 -9.010 -1.501 0.689 1.00 0.00 C ATOM 740 C ARG A 57 -8.182 -2.777 0.552 1.00 0.00 C ATOM 741 O ARG A 57 -8.242 -3.465 -0.445 1.00 0.00 O ATOM 742 CB ARG A 57 -8.145 -0.281 0.365 1.00 0.00 C ATOM 743 CG ARG A 57 -8.947 0.687 -0.507 1.00 0.00 C ATOM 744 CD ARG A 57 -8.422 0.634 -1.942 1.00 0.00 C ATOM 745 NE ARG A 57 -7.861 1.963 -2.313 1.00 0.00 N ATOM 746 CZ ARG A 57 -8.528 2.758 -3.102 1.00 0.00 C ATOM 747 NH1 ARG A 57 -9.822 2.623 -3.225 1.00 0.00 N ATOM 748 NH2 ARG A 57 -7.902 3.685 -3.772 1.00 0.00 N ATOM 0 H ARG A 57 -8.996 -0.763 2.691 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.849 -1.530 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.833 0.213 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.238 -0.591 -0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.004 0.423 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.864 1.701 -0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.655 -0.135 -2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.227 0.363 -2.626 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.953 2.252 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.311 1.895 -2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.343 3.245 -3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.891 3.788 -3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.423 4.308 -4.390 1.00 0.00 H new ATOM 762 N GLU A 58 -7.419 -3.103 1.560 1.00 0.00 N ATOM 763 CA GLU A 58 -6.599 -4.343 1.501 1.00 0.00 C ATOM 764 C GLU A 58 -7.532 -5.548 1.627 1.00 0.00 C ATOM 765 O GLU A 58 -7.476 -6.477 0.846 1.00 0.00 O ATOM 766 CB GLU A 58 -5.590 -4.338 2.656 1.00 0.00 C ATOM 767 CG GLU A 58 -4.287 -3.644 2.224 1.00 0.00 C ATOM 768 CD GLU A 58 -4.591 -2.493 1.256 1.00 0.00 C ATOM 769 OE1 GLU A 58 -4.765 -2.765 0.080 1.00 0.00 O ATOM 770 OE2 GLU A 58 -4.646 -1.362 1.710 1.00 0.00 O ATOM 0 H GLU A 58 -7.329 -2.563 2.421 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.056 -4.396 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.016 -3.823 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.379 -5.361 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.763 -3.262 3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.625 -4.365 1.745 1.00 0.00 H new ATOM 777 N TYR A 59 -8.405 -5.524 2.595 1.00 0.00 N ATOM 778 CA TYR A 59 -9.365 -6.648 2.770 1.00 0.00 C ATOM 779 C TYR A 59 -10.785 -6.089 2.837 1.00 0.00 C ATOM 780 O TYR A 59 -11.001 -4.898 2.761 1.00 0.00 O ATOM 781 CB TYR A 59 -9.091 -7.404 4.073 1.00 0.00 C ATOM 782 CG TYR A 59 -7.688 -7.142 4.559 1.00 0.00 C ATOM 783 CD1 TYR A 59 -7.372 -5.916 5.152 1.00 0.00 C ATOM 784 CD2 TYR A 59 -6.708 -8.132 4.434 1.00 0.00 C ATOM 785 CE1 TYR A 59 -6.077 -5.678 5.620 1.00 0.00 C ATOM 786 CE2 TYR A 59 -5.411 -7.895 4.899 1.00 0.00 C ATOM 787 CZ TYR A 59 -5.095 -6.667 5.495 1.00 0.00 C ATOM 788 OH TYR A 59 -3.816 -6.433 5.958 1.00 0.00 O ATOM 0 H TYR A 59 -8.495 -4.770 3.276 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.250 -7.329 1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.808 -7.097 4.835 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.232 -8.473 3.915 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.129 -5.152 5.248 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.953 -9.080 3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.834 -4.731 6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.653 -8.658 4.799 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.259 -7.223 5.794 1.00 0.00 H new ATOM 798 N GLN A 60 -11.747 -6.945 3.013 1.00 0.00 N ATOM 799 CA GLN A 60 -13.155 -6.482 3.128 1.00 0.00 C ATOM 800 C GLN A 60 -13.597 -6.715 4.570 1.00 0.00 C ATOM 801 O GLN A 60 -14.669 -7.224 4.835 1.00 0.00 O ATOM 802 CB GLN A 60 -14.048 -7.277 2.170 1.00 0.00 C ATOM 803 CG GLN A 60 -13.699 -8.763 2.253 1.00 0.00 C ATOM 804 CD GLN A 60 -12.905 -9.172 1.010 1.00 0.00 C ATOM 805 OE1 GLN A 60 -11.917 -8.551 0.676 1.00 0.00 O ATOM 806 NE2 GLN A 60 -13.300 -10.199 0.307 1.00 0.00 N ATOM 0 H GLN A 60 -11.618 -7.954 3.083 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.235 -5.427 2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.097 -7.125 2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.913 -6.918 1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.115 -8.960 3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.610 -9.358 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.130 -10.721 0.588 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.778 -10.480 -0.523 1.00 0.00 H new ATOM 815 N VAL A 61 -12.755 -6.358 5.503 1.00 0.00 N ATOM 816 CA VAL A 61 -13.080 -6.565 6.941 1.00 0.00 C ATOM 817 C VAL A 61 -13.731 -5.303 7.510 1.00 0.00 C ATOM 818 O VAL A 61 -13.516 -4.209 7.026 1.00 0.00 O ATOM 819 CB VAL A 61 -11.790 -6.856 7.700 1.00 0.00 C ATOM 820 CG1 VAL A 61 -12.116 -7.337 9.114 1.00 0.00 C ATOM 821 CG2 VAL A 61 -10.991 -7.936 6.965 1.00 0.00 C ATOM 0 H VAL A 61 -11.847 -5.928 5.326 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.771 -7.401 7.045 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.198 -5.943 7.758 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -11.190 -7.543 9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -12.677 -6.565 9.641 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.714 -8.247 9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.070 -8.141 7.510 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.585 -8.847 6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.748 -7.589 5.961 1.00 0.00 H new ATOM 831 N GLU A 62 -14.529 -5.446 8.533 1.00 0.00 N ATOM 832 CA GLU A 62 -15.197 -4.256 9.128 1.00 0.00 C ATOM 833 C GLU A 62 -14.165 -3.396 9.859 1.00 0.00 C ATOM 834 O GLU A 62 -13.856 -3.623 11.012 1.00 0.00 O ATOM 835 CB GLU A 62 -16.275 -4.709 10.115 1.00 0.00 C ATOM 836 CG GLU A 62 -17.199 -3.532 10.427 1.00 0.00 C ATOM 837 CD GLU A 62 -18.596 -4.055 10.764 1.00 0.00 C ATOM 838 OE1 GLU A 62 -18.679 -5.096 11.394 1.00 0.00 O ATOM 839 OE2 GLU A 62 -19.559 -3.408 10.386 1.00 0.00 O ATOM 0 H GLU A 62 -14.747 -6.336 8.982 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.658 -3.670 8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.848 -5.534 9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.814 -5.077 11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.803 -2.957 11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.248 -2.858 9.572 1.00 0.00 H new ATOM 846 N LEU A 63 -13.641 -2.404 9.197 1.00 0.00 N ATOM 847 CA LEU A 63 -12.636 -1.513 9.843 1.00 0.00 C ATOM 848 C LEU A 63 -13.116 -0.063 9.722 1.00 0.00 C ATOM 849 O LEU A 63 -12.600 0.695 8.925 1.00 0.00 O ATOM 850 CB LEU A 63 -11.282 -1.663 9.138 1.00 0.00 C ATOM 851 CG LEU A 63 -10.144 -1.680 10.169 1.00 0.00 C ATOM 852 CD1 LEU A 63 -10.427 -0.670 11.285 1.00 0.00 C ATOM 853 CD2 LEU A 63 -10.019 -3.082 10.772 1.00 0.00 C ATOM 0 H LEU A 63 -13.866 -2.170 8.230 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.523 -1.784 10.893 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.268 -2.584 8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.136 -0.840 8.438 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.213 -1.410 9.671 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.613 -0.691 12.010 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.507 0.330 10.859 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.362 -0.929 11.782 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.211 -3.093 11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.955 -3.353 11.261 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.802 -3.800 9.981 1.00 0.00 H new ATOM 865 N PRO A 64 -14.105 0.271 10.511 1.00 0.00 N ATOM 866 CA PRO A 64 -14.703 1.620 10.515 1.00 0.00 C ATOM 867 C PRO A 64 -13.808 2.612 11.265 1.00 0.00 C ATOM 868 O PRO A 64 -12.733 2.274 11.718 1.00 0.00 O ATOM 869 CB PRO A 64 -16.033 1.419 11.247 1.00 0.00 C ATOM 870 CG PRO A 64 -15.872 0.138 12.102 1.00 0.00 C ATOM 871 CD PRO A 64 -14.718 -0.666 11.476 1.00 0.00 C ATOM 0 HA PRO A 64 -14.828 2.033 9.514 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.264 2.279 11.876 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -16.854 1.312 10.538 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.651 0.390 13.139 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.793 -0.444 12.105 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.000 -0.986 12.231 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.082 -1.566 10.981 1.00 0.00 H new ATOM 879 N LEU A 65 -14.248 3.835 11.399 1.00 0.00 N ATOM 880 CA LEU A 65 -13.427 4.852 12.118 1.00 0.00 C ATOM 881 C LEU A 65 -13.625 4.682 13.624 1.00 0.00 C ATOM 882 O LEU A 65 -12.689 4.757 14.394 1.00 0.00 O ATOM 883 CB LEU A 65 -13.873 6.258 11.708 1.00 0.00 C ATOM 884 CG LEU A 65 -13.046 6.732 10.509 1.00 0.00 C ATOM 885 CD1 LEU A 65 -11.614 7.029 10.955 1.00 0.00 C ATOM 886 CD2 LEU A 65 -13.025 5.638 9.443 1.00 0.00 C ATOM 0 H LEU A 65 -15.141 4.174 11.041 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.376 4.716 11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.933 6.254 11.453 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.749 6.947 12.543 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.493 7.638 10.099 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.029 7.366 10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.624 7.808 11.717 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.166 6.125 11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.437 5.974 8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.579 4.734 9.858 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.044 5.425 9.120 1.00 0.00 H new ATOM 898 N LYS A 66 -14.839 4.454 14.052 1.00 0.00 N ATOM 899 CA LYS A 66 -15.086 4.281 15.509 1.00 0.00 C ATOM 900 C LYS A 66 -14.266 3.086 16.008 1.00 0.00 C ATOM 901 O LYS A 66 -13.715 3.110 17.091 1.00 0.00 O ATOM 902 CB LYS A 66 -16.598 4.086 15.754 1.00 0.00 C ATOM 903 CG LYS A 66 -16.933 2.631 16.111 1.00 0.00 C ATOM 904 CD LYS A 66 -18.454 2.460 16.147 1.00 0.00 C ATOM 905 CE LYS A 66 -18.820 1.270 17.036 1.00 0.00 C ATOM 906 NZ LYS A 66 -18.218 0.027 16.476 1.00 0.00 N ATOM 0 H LYS A 66 -15.664 4.381 13.457 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.774 5.166 16.064 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.923 4.743 16.561 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.152 4.378 14.862 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.496 1.954 15.377 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.503 2.373 17.079 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.922 3.368 16.527 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.836 2.303 15.138 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.459 1.436 18.051 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.903 1.167 17.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.663 -0.803 16.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.374 -0.002 15.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.197 0.017 16.672 1.00 0.00 H new ATOM 920 N VAL A 67 -14.156 2.052 15.217 1.00 0.00 N ATOM 921 CA VAL A 67 -13.340 0.884 15.649 1.00 0.00 C ATOM 922 C VAL A 67 -11.888 1.346 15.752 1.00 0.00 C ATOM 923 O VAL A 67 -11.218 1.105 16.736 1.00 0.00 O ATOM 924 CB VAL A 67 -13.471 -0.248 14.623 1.00 0.00 C ATOM 925 CG1 VAL A 67 -12.300 -1.223 14.768 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.780 -1.001 14.873 1.00 0.00 C ATOM 0 H VAL A 67 -14.592 1.967 14.299 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.683 0.507 16.613 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.466 0.175 13.619 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.401 -2.024 14.036 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.362 -0.693 14.600 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.302 -1.647 15.772 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.880 -1.808 14.147 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.773 -1.418 15.880 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.620 -0.314 14.770 1.00 0.00 H new ATOM 936 N LEU A 68 -11.406 2.041 14.757 1.00 0.00 N ATOM 937 CA LEU A 68 -10.010 2.546 14.827 1.00 0.00 C ATOM 938 C LEU A 68 -9.866 3.308 16.144 1.00 0.00 C ATOM 939 O LEU A 68 -8.796 3.414 16.701 1.00 0.00 O ATOM 940 CB LEU A 68 -9.740 3.484 13.641 1.00 0.00 C ATOM 941 CG LEU A 68 -8.251 3.446 13.270 1.00 0.00 C ATOM 942 CD1 LEU A 68 -8.058 2.659 11.971 1.00 0.00 C ATOM 943 CD2 LEU A 68 -7.745 4.873 13.060 1.00 0.00 C ATOM 0 H LEU A 68 -11.916 2.278 13.906 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.295 1.724 14.782 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.344 3.184 12.785 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.033 4.502 13.898 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.696 2.965 14.075 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.999 2.636 11.713 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.421 1.640 12.106 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.616 3.140 11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.688 4.849 12.796 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.309 5.344 12.255 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.877 5.445 13.979 1.00 0.00 H new ATOM 955 N PHE A 69 -10.959 3.822 16.652 1.00 0.00 N ATOM 956 CA PHE A 69 -10.918 4.565 17.945 1.00 0.00 C ATOM 957 C PHE A 69 -10.879 3.558 19.095 1.00 0.00 C ATOM 958 O PHE A 69 -10.148 3.716 20.052 1.00 0.00 O ATOM 959 CB PHE A 69 -12.173 5.430 18.079 1.00 0.00 C ATOM 960 CG PHE A 69 -11.876 6.835 17.617 1.00 0.00 C ATOM 961 CD1 PHE A 69 -10.926 7.609 18.292 1.00 0.00 C ATOM 962 CD2 PHE A 69 -12.554 7.364 16.512 1.00 0.00 C ATOM 963 CE1 PHE A 69 -10.652 8.913 17.862 1.00 0.00 C ATOM 964 CE2 PHE A 69 -12.280 8.667 16.081 1.00 0.00 C ATOM 965 CZ PHE A 69 -11.329 9.441 16.756 1.00 0.00 C ATOM 0 H PHE A 69 -11.882 3.757 16.222 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.033 5.201 17.974 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.983 5.006 17.486 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.509 5.442 19.116 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.404 7.201 19.145 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -13.288 6.767 15.992 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.919 9.511 18.383 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.802 9.075 15.228 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.117 10.446 16.423 1.00 0.00 H new ATOM 975 N ALA A 70 -11.663 2.516 19.000 1.00 0.00 N ATOM 976 CA ALA A 70 -11.676 1.486 20.075 1.00 0.00 C ATOM 977 C ALA A 70 -10.362 0.718 20.034 1.00 0.00 C ATOM 978 O ALA A 70 -9.922 0.147 21.013 1.00 0.00 O ATOM 979 CB ALA A 70 -12.822 0.499 19.820 1.00 0.00 C ATOM 0 H ALA A 70 -12.296 2.335 18.221 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.808 1.969 21.043 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.833 -0.256 20.606 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.771 1.036 19.818 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.677 0.015 18.854 1.00 0.00 H new ATOM 985 N GLN A 71 -9.753 0.672 18.885 1.00 0.00 N ATOM 986 CA GLN A 71 -8.482 -0.087 18.729 1.00 0.00 C ATOM 987 C GLN A 71 -7.614 0.635 17.694 1.00 0.00 C ATOM 988 O GLN A 71 -7.372 0.122 16.619 1.00 0.00 O ATOM 989 CB GLN A 71 -8.806 -1.516 18.246 1.00 0.00 C ATOM 990 CG GLN A 71 -10.326 -1.675 18.068 1.00 0.00 C ATOM 991 CD GLN A 71 -10.712 -3.149 17.994 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.902 -3.993 17.663 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.936 -3.487 18.293 1.00 0.00 N ATOM 0 H GLN A 71 -10.084 1.133 18.037 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.949 -0.146 19.678 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.298 -1.715 17.303 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.437 -2.246 18.967 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.846 -1.200 18.900 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.646 -1.165 17.159 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.609 -2.772 18.570 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.220 -4.466 18.250 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.196 1.825 18.050 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.378 2.685 17.176 1.00 0.00 C ATOM 1004 C PRO A 72 -4.902 2.275 17.156 1.00 0.00 C ATOM 1005 O PRO A 72 -4.037 3.084 17.426 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.514 4.075 17.807 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.919 3.848 19.283 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.505 2.426 19.365 1.00 0.00 C ATOM 0 HA PRO A 72 -6.712 2.627 16.140 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.575 4.624 17.742 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.266 4.667 17.285 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.056 3.950 19.942 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.653 4.588 19.602 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.054 1.857 20.178 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.579 2.449 19.549 1.00 0.00 H new ATOM 1016 N THR A 73 -4.581 1.053 16.832 1.00 0.00 N ATOM 1017 CA THR A 73 -3.138 0.693 16.807 1.00 0.00 C ATOM 1018 C THR A 73 -2.849 -0.460 15.832 1.00 0.00 C ATOM 1019 O THR A 73 -3.745 -1.059 15.279 1.00 0.00 O ATOM 1020 CB THR A 73 -2.705 0.315 18.212 1.00 0.00 C ATOM 1021 OG1 THR A 73 -1.367 -0.132 18.170 1.00 0.00 O ATOM 1022 CG2 THR A 73 -3.613 -0.786 18.742 1.00 0.00 C ATOM 0 H THR A 73 -5.234 0.308 16.590 1.00 0.00 H new ATOM 0 HA THR A 73 -2.572 1.556 16.456 1.00 0.00 H new ATOM 0 HB THR A 73 -2.777 1.178 18.874 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.773 0.628 17.997 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.303 -1.059 19.751 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.643 -0.430 18.762 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.544 -1.659 18.093 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.584 -0.760 15.620 1.00 0.00 N ATOM 1031 CA ILE A 74 -1.192 -1.858 14.673 1.00 0.00 C ATOM 1032 C ILE A 74 -1.690 -3.223 15.183 1.00 0.00 C ATOM 1033 O ILE A 74 -2.361 -3.947 14.474 1.00 0.00 O ATOM 1034 CB ILE A 74 0.350 -1.868 14.513 1.00 0.00 C ATOM 1035 CG1 ILE A 74 0.746 -1.068 13.271 1.00 0.00 C ATOM 1036 CG2 ILE A 74 0.881 -3.299 14.354 1.00 0.00 C ATOM 1037 CD1 ILE A 74 0.255 -1.782 12.011 1.00 0.00 C ATOM 0 H ILE A 74 -0.800 -0.285 16.068 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.655 -1.675 13.703 1.00 0.00 H new ATOM 0 HB ILE A 74 0.780 -1.423 15.410 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.318 -0.067 13.322 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.829 -0.951 13.234 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.965 -3.275 14.244 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.619 -3.884 15.235 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.437 -3.756 13.470 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.541 -1.206 11.131 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.704 -2.774 11.957 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.830 -1.876 12.046 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.349 -3.590 16.387 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.780 -4.915 16.916 1.00 0.00 C ATOM 1051 C LYS A 75 -3.296 -5.030 16.825 1.00 0.00 C ATOM 1052 O LYS A 75 -3.833 -5.851 16.107 1.00 0.00 O ATOM 1053 CB LYS A 75 -1.357 -5.039 18.384 1.00 0.00 C ATOM 1054 CG LYS A 75 -0.295 -6.130 18.526 1.00 0.00 C ATOM 1055 CD LYS A 75 -0.361 -6.728 19.931 1.00 0.00 C ATOM 1056 CE LYS A 75 -0.007 -8.214 19.866 1.00 0.00 C ATOM 1057 NZ LYS A 75 1.452 -8.385 20.118 1.00 0.00 N ATOM 0 H LYS A 75 -0.789 -3.029 17.029 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.315 -5.707 16.329 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.964 -4.087 18.740 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.222 -5.278 19.002 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.457 -6.908 17.780 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.696 -5.714 18.343 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.330 -6.207 20.593 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.360 -6.598 20.347 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.583 -8.769 20.606 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.269 -8.619 18.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.696 -9.395 20.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.992 -7.867 19.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.688 -8.012 21.060 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.987 -4.215 17.560 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.469 -4.259 17.547 1.00 0.00 C ATOM 1073 C ALA A 76 -5.986 -4.284 16.102 1.00 0.00 C ATOM 1074 O ALA A 76 -6.745 -5.158 15.728 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.992 -3.025 18.280 1.00 0.00 C ATOM 0 H ALA A 76 -3.583 -3.511 18.178 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.821 -5.162 18.045 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.082 -3.038 18.282 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.627 -3.030 19.307 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.641 -2.125 17.775 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.587 -3.348 15.279 1.00 0.00 N ATOM 1082 CA LEU A 77 -6.070 -3.355 13.863 1.00 0.00 C ATOM 1083 C LEU A 77 -5.692 -4.681 13.212 1.00 0.00 C ATOM 1084 O LEU A 77 -6.545 -5.469 12.853 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.410 -2.211 13.076 1.00 0.00 C ATOM 1086 CG LEU A 77 -6.367 -1.021 12.905 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -7.118 -1.156 11.585 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -7.371 -0.947 14.059 1.00 0.00 C ATOM 0 H LEU A 77 -4.954 -2.586 15.522 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.152 -3.224 13.855 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.509 -1.883 13.595 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.100 -2.574 12.096 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.776 -0.105 12.906 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.797 -0.312 11.464 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.405 -1.169 10.761 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.690 -2.084 11.585 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.034 -0.095 13.910 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.959 -1.864 14.089 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.835 -0.829 15.001 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.419 -4.936 13.057 1.00 0.00 N ATOM 1101 CA ALA A 78 -3.992 -6.216 12.432 1.00 0.00 C ATOM 1102 C ALA A 78 -4.824 -7.344 13.026 1.00 0.00 C ATOM 1103 O ALA A 78 -5.174 -8.287 12.360 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.511 -6.465 12.720 1.00 0.00 C ATOM 0 H ALA A 78 -3.661 -4.313 13.336 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.138 -6.169 11.353 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.204 -7.404 12.260 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.918 -5.648 12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.354 -6.521 13.797 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.158 -7.243 14.277 1.00 0.00 N ATOM 1111 CA GLN A 79 -5.981 -8.303 14.910 1.00 0.00 C ATOM 1112 C GLN A 79 -7.412 -8.206 14.363 1.00 0.00 C ATOM 1113 O GLN A 79 -8.023 -9.197 14.021 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.941 -8.109 16.439 1.00 0.00 C ATOM 1115 CG GLN A 79 -7.354 -8.028 17.031 1.00 0.00 C ATOM 1116 CD GLN A 79 -8.023 -9.401 16.961 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -7.522 -10.363 17.510 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -9.144 -9.533 16.308 1.00 0.00 N ATOM 0 H GLN A 79 -4.896 -6.471 14.890 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.595 -9.296 14.681 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.400 -8.936 16.898 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.392 -7.198 16.677 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.306 -7.689 18.066 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.947 -7.296 16.483 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.564 -8.726 15.848 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.601 -10.444 16.258 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.949 -7.018 14.275 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.333 -6.871 13.745 1.00 0.00 C ATOM 1129 C TYR A 80 -9.395 -7.472 12.340 1.00 0.00 C ATOM 1130 O TYR A 80 -10.382 -8.059 11.944 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.720 -5.394 13.688 1.00 0.00 C ATOM 1132 CG TYR A 80 -11.192 -5.259 14.002 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -11.618 -5.137 15.330 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -12.134 -5.265 12.963 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -12.982 -5.020 15.621 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -13.499 -5.149 13.255 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.923 -5.026 14.583 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.270 -4.914 14.870 1.00 0.00 O ATOM 0 H TYR A 80 -7.491 -6.148 14.546 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.029 -7.391 14.403 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.128 -4.822 14.403 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.507 -4.987 12.700 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.893 -5.133 16.131 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -11.807 -5.359 11.938 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -13.309 -4.925 16.646 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -14.225 -5.154 12.455 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.785 -4.934 14.036 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.335 -7.344 11.592 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.313 -7.924 10.213 1.00 0.00 C ATOM 1150 C VAL A 81 -7.839 -9.365 10.311 1.00 0.00 C ATOM 1151 O VAL A 81 -8.546 -10.303 10.002 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.314 -7.168 9.303 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.069 -6.500 8.158 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -6.547 -6.109 10.102 1.00 0.00 C ATOM 0 H VAL A 81 -7.481 -6.863 11.873 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.314 -7.847 9.790 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.598 -7.885 8.902 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.364 -5.968 7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.588 -7.259 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.795 -5.795 8.563 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.851 -5.590 9.443 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.251 -5.392 10.524 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.993 -6.591 10.908 1.00 0.00 H new ATOM 1164 N ALA A 82 -6.629 -9.522 10.746 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.026 -10.865 10.891 1.00 0.00 C ATOM 1166 C ALA A 82 -6.955 -11.772 11.703 1.00 0.00 C ATOM 1167 O ALA A 82 -7.393 -12.803 11.235 1.00 0.00 O ATOM 1168 CB ALA A 82 -4.694 -10.695 11.611 1.00 0.00 C ATOM 0 H ALA A 82 -6.016 -8.753 11.015 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.875 -11.326 9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.221 -11.669 11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.043 -10.047 11.024 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.864 -10.247 12.590 1.00 0.00 H new ATOM 1174 N THR A 83 -7.256 -11.398 12.916 1.00 0.00 N ATOM 1175 CA THR A 83 -8.154 -12.244 13.752 1.00 0.00 C ATOM 1176 C THR A 83 -9.531 -11.581 13.856 1.00 0.00 C ATOM 1177 O THR A 83 -9.887 -10.854 12.944 1.00 0.00 O ATOM 1178 CB THR A 83 -7.553 -12.396 15.150 1.00 0.00 C ATOM 1179 OG1 THR A 83 -6.139 -12.275 15.071 1.00 0.00 O ATOM 1180 CG2 THR A 83 -7.918 -13.769 15.716 1.00 0.00 C ATOM 0 H THR A 83 -6.920 -10.545 13.364 1.00 0.00 H new ATOM 0 HA THR A 83 -8.259 -13.227 13.293 1.00 0.00 H new ATOM 0 HB THR A 83 -7.949 -11.619 15.804 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.752 -12.370 15.966 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.490 -13.877 16.712 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.002 -13.862 15.775 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.522 -14.548 15.064 1.00 0.00 H new