USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 81 ASN : amide:sc= -0.216 K(o=-0.31,f=-2.2) USER MOD Set 1.2: B 84 THR OG1 : rot 180:sc= -0.0941 USER MOD Set 2.1: B 66 GLN : amide:sc= -4.58! C(o=-4.2!,f=-6.2!) USER MOD Set 2.2: B 76 ASN : amide:sc= 0.401 K(o=-4.2,f=-7.3!) USER MOD Set 3.1: A 52 GLN : amide:sc= -4.38! C(o=-5.4!,f=-8.1!) USER MOD Set 3.2: B 56 SER OG : rot 53:sc= 2.39 USER MOD Set 3.3: B 60 LYS NZ :NH3+ -179:sc= -0.829 (180deg=-2.03) USER MOD Set 3.4: B 64 GLN : amide:sc= -2.63! C(o=-5.4!,f=-21!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ 149:sc= 0.933 (180deg=0) USER MOD Set 4.2: B 52 CYS SG : rot -71:sc= -3.21! USER MOD Single : B 13 LYS NZ :NH3+ -145:sc= 2.35 (180deg=1.87) USER MOD Single : B 14 LYS NZ :NH3+ -142:sc= 0.896 (180deg=-0.095) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.24 F(o=-1.2,f=-0.24) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 158:sc= -0.173 (180deg=-0.819) USER MOD Single : B 20 GLN : amide:sc= 0.922 K(o=0.92,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 166:sc= 0 (180deg=-0.408) USER MOD Single : B 42 THR OG1 : rot 161:sc= -0.587 USER MOD Single : B 44 SER OG : rot 12:sc= 0.34 USER MOD Single : B 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 46 MET CE :methyl 160:sc= -0.0678 (180deg=-0.463) USER MOD Single : B 47 TYR OH : rot 146:sc= 1.08 USER MOD Single : B 53 GLN : amide:sc= -1.04! C(o=-1!,f=-10!) USER MOD Single : B 54 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.11) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -0.0683 F(o=-1.7,f=-0.068) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -1.03 F(o=-1.7,f=-1) USER MOD Single : B 80 SER OG : rot -3:sc= 0.808 USER MOD Single : B 83 SER OG : rot 180:sc= 0 USER MOD Single : B 87 LYS NZ :NH3+ 164:sc= 1.21 (180deg=1.14) USER MOD Single : B 93 LYS NZ :NH3+ -165:sc= 2.38 (180deg=2.13) USER MOD Single : B 97 GLN :FLIP amide:sc= -0.0536 F(o=-1.1!,f=-0.054) USER MOD Single : B 98 GLN : amide:sc= 0.212 X(o=0.21,f=0) USER MOD Single : B 102 LYS NZ :NH3+ -139:sc= -2.22! (180deg=-3.68!) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.357 8.295 14.163 1.00 0.00 N ATOM 135 CA ILE A 50 -1.081 7.561 13.179 1.00 0.00 C ATOM 136 C ILE A 50 -1.695 6.279 13.715 1.00 0.00 C ATOM 137 O ILE A 50 -1.003 5.304 13.997 1.00 0.00 O ATOM 138 CB ILE A 50 -0.171 7.239 11.982 1.00 0.00 C ATOM 139 CG1 ILE A 50 -0.094 8.411 11.037 1.00 0.00 C ATOM 140 CG2 ILE A 50 -0.685 6.059 11.221 1.00 0.00 C ATOM 141 CD1 ILE A 50 1.028 8.282 10.042 1.00 0.00 C ATOM 0 HA ILE A 50 -1.906 8.200 12.865 1.00 0.00 H new ATOM 0 HB ILE A 50 0.819 7.018 12.382 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.039 8.504 10.502 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.039 9.328 11.612 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.023 5.852 10.380 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.720 5.190 11.878 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.687 6.274 10.850 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.036 9.153 9.387 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.978 8.218 10.572 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.883 7.381 9.445 1.00 0.00 H new ATOM 153 N GLU A 51 -2.997 6.357 13.887 1.00 0.00 N ATOM 154 CA GLU A 51 -3.856 5.241 14.280 1.00 0.00 C ATOM 155 C GLU A 51 -5.298 5.722 14.286 1.00 0.00 C ATOM 156 O GLU A 51 -6.130 5.316 15.092 1.00 0.00 O ATOM 157 CB GLU A 51 -3.467 4.556 15.590 1.00 0.00 C ATOM 158 CG GLU A 51 -2.647 3.289 15.360 1.00 0.00 C ATOM 159 CD GLU A 51 -3.134 2.488 14.159 1.00 0.00 C ATOM 160 OE1 GLU A 51 -2.691 2.772 13.023 1.00 0.00 O ATOM 161 OE2 GLU A 51 -3.970 1.581 14.346 1.00 0.00 O ATOM 0 H GLU A 51 -3.513 7.227 13.754 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.723 4.452 13.540 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.894 5.250 16.204 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.369 4.306 16.149 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.601 3.559 15.213 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.692 2.664 16.252 1.00 0.00 H new ATOM 168 N GLN A 52 -5.544 6.625 13.350 1.00 0.00 N ATOM 169 CA GLN A 52 -6.846 7.204 13.096 1.00 0.00 C ATOM 170 C GLN A 52 -7.220 6.751 11.716 1.00 0.00 C ATOM 171 O GLN A 52 -7.106 7.462 10.715 1.00 0.00 O ATOM 172 CB GLN A 52 -6.820 8.737 13.233 1.00 0.00 C ATOM 173 CG GLN A 52 -5.936 9.470 12.221 1.00 0.00 C ATOM 174 CD GLN A 52 -4.470 9.072 12.276 1.00 0.00 C ATOM 175 OE1 GLN A 52 -3.725 9.533 13.128 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.043 8.218 11.349 1.00 0.00 N ATOM 0 H GLN A 52 -4.818 6.984 12.729 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.588 6.877 13.825 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.839 9.111 13.138 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.480 8.990 14.237 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.316 9.279 11.217 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.017 10.543 12.394 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.694 7.853 10.653 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.065 7.928 11.334 1.00 0.00 H new ATOM 185 N TRP A 53 -7.610 5.515 11.674 1.00 0.00 N ATOM 186 CA TRP A 53 -7.912 4.876 10.443 1.00 0.00 C ATOM 187 C TRP A 53 -9.300 4.308 10.418 1.00 0.00 C ATOM 188 O TRP A 53 -10.024 4.318 11.408 1.00 0.00 O ATOM 189 CB TRP A 53 -6.930 3.728 10.252 1.00 0.00 C ATOM 190 CG TRP A 53 -5.494 4.144 10.211 1.00 0.00 C ATOM 191 CD1 TRP A 53 -4.722 4.601 11.225 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.671 4.118 9.074 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.460 4.889 10.768 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.404 4.595 9.434 1.00 0.00 C ATOM 195 CE3 TRP A 53 -4.905 3.741 7.787 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.368 4.702 8.502 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -3.911 3.836 6.880 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.654 4.313 7.226 1.00 0.00 C ATOM 0 H TRP A 53 -7.726 4.924 12.497 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.838 5.621 9.651 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.065 3.012 11.062 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.172 3.209 9.324 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.052 4.722 12.246 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.693 5.260 11.329 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.876 3.370 7.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.392 5.073 8.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.098 3.534 5.860 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.886 4.378 6.469 1.00 0.00 H new ATOM 209 N PHE A 54 -9.663 3.884 9.238 1.00 0.00 N ATOM 210 CA PHE A 54 -10.900 3.205 9.007 1.00 0.00 C ATOM 211 C PHE A 54 -10.482 1.837 8.604 1.00 0.00 C ATOM 212 O PHE A 54 -10.151 1.610 7.439 1.00 0.00 O ATOM 213 CB PHE A 54 -11.709 3.851 7.899 1.00 0.00 C ATOM 214 CG PHE A 54 -11.786 5.329 8.023 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.029 5.918 9.247 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.624 6.128 6.915 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.116 7.275 9.363 1.00 0.00 C ATOM 218 CE2 PHE A 54 -11.703 7.487 7.019 1.00 0.00 C ATOM 219 CZ PHE A 54 -11.956 8.071 8.248 1.00 0.00 C ATOM 0 H PHE A 54 -9.095 4.005 8.399 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.542 3.226 9.887 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.266 3.595 6.937 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.718 3.438 7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.152 5.298 10.123 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.432 5.676 5.953 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.310 7.725 10.326 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.568 8.105 6.144 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.028 9.145 8.334 1.00 0.00 H new ATOM 246 N GLU A 56 -10.771 -0.862 7.139 1.00 0.00 N ATOM 247 CA GLU A 56 -11.562 -1.525 6.112 1.00 0.00 C ATOM 248 C GLU A 56 -11.668 -3.022 6.363 1.00 0.00 C ATOM 249 O GLU A 56 -12.727 -3.620 6.193 1.00 0.00 O ATOM 250 CB GLU A 56 -10.913 -1.290 4.759 1.00 0.00 C ATOM 251 CG GLU A 56 -11.067 0.133 4.252 1.00 0.00 C ATOM 252 CD GLU A 56 -10.781 0.234 2.773 1.00 0.00 C ATOM 253 OE1 GLU A 56 -9.630 -0.036 2.372 1.00 0.00 O ATOM 254 OE2 GLU A 56 -11.711 0.565 2.008 1.00 0.00 O ATOM 0 HA GLU A 56 -12.569 -1.107 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.852 -1.530 4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.349 -1.975 4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.080 0.482 4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.390 0.789 4.799 1.00 0.00 H new ATOM 261 N ASP A 57 -10.558 -3.615 6.766 1.00 0.00 N ATOM 262 CA ASP A 57 -10.518 -5.035 7.047 1.00 0.00 C ATOM 263 C ASP A 57 -10.151 -5.269 8.506 1.00 0.00 C ATOM 264 O ASP A 57 -9.135 -4.764 8.980 1.00 0.00 O ATOM 265 CB ASP A 57 -9.518 -5.724 6.122 1.00 0.00 C ATOM 266 CG ASP A 57 -9.642 -7.232 6.138 1.00 0.00 C ATOM 267 OD1 ASP A 57 -9.435 -7.848 7.209 1.00 0.00 O ATOM 268 OD2 ASP A 57 -9.918 -7.812 5.071 1.00 0.00 O ATOM 0 H ASP A 57 -9.671 -3.131 6.906 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.505 -5.462 6.867 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.665 -5.363 5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.506 -5.445 6.417 1.00 0.00 H new ATOM 415 N GLU B 7 3.677 -9.339 -12.357 1.00 0.00 N ATOM 416 CA GLU B 7 2.771 -8.408 -13.002 1.00 0.00 C ATOM 417 C GLU B 7 2.527 -7.194 -12.115 1.00 0.00 C ATOM 418 O GLU B 7 2.283 -7.328 -10.913 1.00 0.00 O ATOM 419 CB GLU B 7 1.451 -9.118 -13.316 1.00 0.00 C ATOM 420 CG GLU B 7 0.325 -8.186 -13.730 1.00 0.00 C ATOM 421 CD GLU B 7 -1.037 -8.805 -13.503 1.00 0.00 C ATOM 422 OE1 GLU B 7 -1.382 -9.061 -12.330 1.00 0.00 O ATOM 423 OE2 GLU B 7 -1.756 -9.040 -14.495 1.00 0.00 O ATOM 0 HA GLU B 7 3.221 -8.059 -13.932 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.621 -9.841 -14.114 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.137 -9.681 -12.437 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.399 -7.256 -13.166 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.436 -7.930 -14.784 1.00 0.00 H new ATOM 430 N VAL B 8 2.617 -6.011 -12.708 1.00 0.00 N ATOM 431 CA VAL B 8 2.385 -4.778 -11.985 1.00 0.00 C ATOM 432 C VAL B 8 0.923 -4.395 -12.126 1.00 0.00 C ATOM 433 O VAL B 8 0.439 -4.144 -13.227 1.00 0.00 O ATOM 434 CB VAL B 8 3.282 -3.629 -12.491 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.087 -2.384 -11.638 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.744 -4.050 -12.495 1.00 0.00 C ATOM 0 H VAL B 8 2.850 -5.884 -13.693 1.00 0.00 H new ATOM 0 HA VAL B 8 2.637 -4.944 -10.938 1.00 0.00 H new ATOM 0 HB VAL B 8 2.991 -3.394 -13.515 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.728 -1.584 -12.010 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.045 -2.068 -11.689 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.348 -2.607 -10.604 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.359 -3.225 -12.855 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.049 -4.315 -11.483 1.00 0.00 H new ATOM 0 HG23 VAL B 8 4.873 -4.912 -13.150 1.00 0.00 H new ATOM 446 N LEU B 9 0.237 -4.345 -11.005 1.00 0.00 N ATOM 447 CA LEU B 9 -1.176 -4.040 -10.980 1.00 0.00 C ATOM 448 C LEU B 9 -1.410 -2.553 -10.824 1.00 0.00 C ATOM 449 O LEU B 9 -2.324 -1.992 -11.426 1.00 0.00 O ATOM 450 CB LEU B 9 -1.840 -4.792 -9.826 1.00 0.00 C ATOM 451 CG LEU B 9 -2.082 -6.279 -10.073 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.508 -6.964 -8.789 1.00 0.00 C ATOM 453 CD2 LEU B 9 -3.137 -6.474 -11.147 1.00 0.00 C ATOM 0 H LEU B 9 0.644 -4.515 -10.085 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.614 -4.355 -11.927 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.218 -4.684 -8.937 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.796 -4.316 -9.606 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.150 -6.728 -10.416 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.677 -8.024 -8.981 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.725 -6.851 -8.039 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.429 -6.510 -8.423 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.297 -7.540 -11.311 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -4.071 -6.011 -10.828 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.801 -6.011 -12.075 1.00 0.00 H new ATOM 465 N LEU B 10 -0.587 -1.909 -10.016 1.00 0.00 N ATOM 466 CA LEU B 10 -0.744 -0.492 -9.792 1.00 0.00 C ATOM 467 C LEU B 10 0.579 0.198 -9.536 1.00 0.00 C ATOM 468 O LEU B 10 1.423 -0.303 -8.796 1.00 0.00 O ATOM 469 CB LEU B 10 -1.630 -0.256 -8.581 1.00 0.00 C ATOM 470 CG LEU B 10 -2.462 1.029 -8.627 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.520 0.952 -9.717 1.00 0.00 C ATOM 472 CD2 LEU B 10 -3.102 1.293 -7.278 1.00 0.00 C ATOM 0 H LEU B 10 0.186 -2.342 -9.512 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.189 -0.078 -10.697 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.306 -1.105 -8.473 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.003 -0.233 -7.690 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.796 1.859 -8.863 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.098 1.876 -9.729 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.037 0.813 -10.684 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -4.185 0.111 -9.520 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.690 2.210 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.752 0.459 -7.014 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.325 1.401 -6.521 1.00 0.00 H new ATOM 484 N ILE B 11 0.752 1.341 -10.165 1.00 0.00 N ATOM 485 CA ILE B 11 1.932 2.157 -9.956 1.00 0.00 C ATOM 486 C ILE B 11 1.509 3.473 -9.320 1.00 0.00 C ATOM 487 O ILE B 11 0.915 4.340 -9.973 1.00 0.00 O ATOM 488 CB ILE B 11 2.704 2.431 -11.266 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.195 1.111 -11.870 1.00 0.00 C ATOM 490 CG2 ILE B 11 3.874 3.375 -11.006 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.078 1.278 -13.088 1.00 0.00 C ATOM 0 H ILE B 11 0.085 1.730 -10.831 1.00 0.00 H new ATOM 0 HA ILE B 11 2.609 1.609 -9.300 1.00 0.00 H new ATOM 0 HB ILE B 11 2.033 2.911 -11.979 1.00 0.00 H new ATOM 0 HG12 ILE B 11 3.746 0.558 -11.109 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.331 0.505 -12.142 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.408 3.558 -11.938 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.499 4.319 -10.611 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.552 2.923 -10.282 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.382 0.297 -13.454 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.526 1.801 -13.869 1.00 0.00 H new ATOM 0 HD13 ILE B 11 4.963 1.856 -12.820 1.00 0.00 H new ATOM 503 N VAL B 12 1.812 3.606 -8.044 1.00 0.00 N ATOM 504 CA VAL B 12 1.469 4.793 -7.287 1.00 0.00 C ATOM 505 C VAL B 12 2.705 5.658 -7.132 1.00 0.00 C ATOM 506 O VAL B 12 3.801 5.144 -6.919 1.00 0.00 O ATOM 507 CB VAL B 12 0.904 4.430 -5.900 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.045 5.556 -5.362 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.109 3.134 -5.960 1.00 0.00 C ATOM 0 H VAL B 12 2.303 2.894 -7.503 1.00 0.00 H new ATOM 0 HA VAL B 12 0.696 5.339 -7.828 1.00 0.00 H new ATOM 0 HB VAL B 12 1.744 4.282 -5.221 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.344 5.280 -4.382 1.00 0.00 H new ATOM 0 HG12 VAL B 12 0.646 6.461 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.785 5.738 -6.044 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.279 2.899 -4.969 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.721 3.248 -6.657 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.757 2.325 -6.297 1.00 0.00 H new ATOM 519 N LYS B 13 2.536 6.962 -7.237 1.00 0.00 N ATOM 520 CA LYS B 13 3.666 7.875 -7.152 1.00 0.00 C ATOM 521 C LYS B 13 3.607 8.737 -5.907 1.00 0.00 C ATOM 522 O LYS B 13 2.578 8.818 -5.239 1.00 0.00 O ATOM 523 CB LYS B 13 3.728 8.776 -8.385 1.00 0.00 C ATOM 524 CG LYS B 13 4.199 8.070 -9.650 1.00 0.00 C ATOM 525 CD LYS B 13 3.158 7.098 -10.198 1.00 0.00 C ATOM 526 CE LYS B 13 1.888 7.806 -10.650 1.00 0.00 C ATOM 527 NZ LYS B 13 0.661 7.105 -10.177 1.00 0.00 N ATOM 0 H LYS B 13 1.633 7.414 -7.381 1.00 0.00 H new ATOM 0 HA LYS B 13 4.564 7.260 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.739 9.197 -8.564 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.397 9.611 -8.178 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.434 8.814 -10.412 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.121 7.529 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS B 13 3.584 6.549 -11.038 1.00 0.00 H new ATOM 0 HD3 LYS B 13 2.909 6.365 -9.431 1.00 0.00 H new ATOM 0 HE2 LYS B 13 1.889 8.829 -10.273 1.00 0.00 H new ATOM 0 HE3 LYS B 13 1.874 7.867 -11.738 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -0.085 7.188 -10.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 0.876 6.100 -10.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 0.335 7.537 -9.289 1.00 0.00 H new ATOM 541 N LYS B 14 4.731 9.391 -5.631 1.00 0.00 N ATOM 542 CA LYS B 14 4.886 10.266 -4.480 1.00 0.00 C ATOM 543 C LYS B 14 4.397 9.611 -3.190 1.00 0.00 C ATOM 544 O LYS B 14 3.831 10.273 -2.315 1.00 0.00 O ATOM 545 CB LYS B 14 4.154 11.575 -4.741 1.00 0.00 C ATOM 546 CG LYS B 14 5.012 12.620 -5.440 1.00 0.00 C ATOM 547 CD LYS B 14 4.372 13.998 -5.383 1.00 0.00 C ATOM 548 CE LYS B 14 5.050 14.884 -4.351 1.00 0.00 C ATOM 549 NZ LYS B 14 4.134 15.933 -3.834 1.00 0.00 N ATOM 0 H LYS B 14 5.569 9.326 -6.209 1.00 0.00 H new ATOM 0 HA LYS B 14 5.949 10.466 -4.342 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.272 11.374 -5.349 1.00 0.00 H new ATOM 0 HB3 LYS B 14 3.802 11.981 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.996 12.656 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.163 12.331 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.432 14.469 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.314 13.899 -5.141 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.404 14.271 -3.522 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.926 15.355 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.663 16.818 -3.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.367 16.092 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.730 15.625 -2.927 1.00 0.00 H new ATOM 563 N VAL B 15 4.619 8.312 -3.074 1.00 0.00 N ATOM 564 CA VAL B 15 4.215 7.583 -1.881 1.00 0.00 C ATOM 565 C VAL B 15 5.378 7.519 -0.911 1.00 0.00 C ATOM 566 O VAL B 15 6.423 6.960 -1.222 1.00 0.00 O ATOM 567 CB VAL B 15 3.726 6.153 -2.192 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.148 5.507 -0.941 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.695 6.186 -3.302 1.00 0.00 C ATOM 0 H VAL B 15 5.074 7.742 -3.787 1.00 0.00 H new ATOM 0 HA VAL B 15 3.376 8.122 -1.441 1.00 0.00 H new ATOM 0 HB VAL B 15 4.574 5.555 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.807 4.499 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.915 5.460 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.307 6.099 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.356 5.172 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.846 6.795 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.140 6.615 -4.200 1.00 0.00 H new ATOM 579 N ARG B 16 5.195 8.096 0.258 1.00 0.00 N ATOM 580 CA ARG B 16 6.237 8.121 1.259 1.00 0.00 C ATOM 581 C ARG B 16 5.995 7.064 2.324 1.00 0.00 C ATOM 582 O ARG B 16 4.898 6.948 2.866 1.00 0.00 O ATOM 583 CB ARG B 16 6.324 9.503 1.913 1.00 0.00 C ATOM 584 CG ARG B 16 6.290 10.652 0.921 1.00 0.00 C ATOM 585 CD ARG B 16 6.684 11.968 1.572 1.00 0.00 C ATOM 586 NE ARG B 16 8.136 12.144 1.623 1.00 0.00 N ATOM 587 CZ ARG B 16 8.798 12.641 2.667 1.00 0.00 C ATOM 588 NH1 ARG B 16 8.143 13.006 3.767 1.00 0.00 N ATOM 589 NH2 ARG B 16 10.117 12.772 2.608 1.00 0.00 N ATOM 0 H ARG B 16 4.329 8.556 0.538 1.00 0.00 H new ATOM 0 HA ARG B 16 7.181 7.903 0.760 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.497 9.616 2.614 1.00 0.00 H new ATOM 0 HB3 ARG B 16 7.245 9.563 2.493 1.00 0.00 H new ATOM 0 HG2 ARG B 16 6.966 10.438 0.093 1.00 0.00 H new ATOM 0 HG3 ARG B 16 5.289 10.740 0.500 1.00 0.00 H new ATOM 0 HD2 ARG B 16 6.238 12.794 1.018 1.00 0.00 H new ATOM 0 HD3 ARG B 16 6.279 12.007 2.583 1.00 0.00 H new ATOM 0 HE ARG B 16 8.678 11.868 0.804 1.00 0.00 H new ATOM 0 HH11 ARG B 16 7.129 12.906 3.814 1.00 0.00 H new ATOM 0 HH12 ARG B 16 8.655 13.386 4.563 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.620 12.493 1.766 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.628 13.152 3.405 1.00 0.00 H new ATOM 603 N GLN B 17 7.018 6.286 2.604 1.00 0.00 N ATOM 604 CA GLN B 17 6.931 5.268 3.627 1.00 0.00 C ATOM 605 C GLN B 17 7.753 5.727 4.816 1.00 0.00 C ATOM 606 O GLN B 17 8.980 5.679 4.782 1.00 0.00 O ATOM 607 CB GLN B 17 7.444 3.923 3.096 1.00 0.00 C ATOM 608 CG GLN B 17 6.794 2.712 3.752 1.00 0.00 C ATOM 609 CD GLN B 17 7.284 2.456 5.166 1.00 0.00 C ATOM 610 OE1 GLN B 17 8.561 2.711 5.417 1.00 0.00 O flip ATOM 611 NE2 GLN B 17 6.521 2.030 6.029 1.00 0.00 N flip ATOM 0 H GLN B 17 7.922 6.340 2.135 1.00 0.00 H new ATOM 0 HA GLN B 17 5.893 5.124 3.926 1.00 0.00 H new ATOM 0 HB2 GLN B 17 7.271 3.878 2.021 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.522 3.871 3.248 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.713 2.854 3.770 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.989 1.830 3.143 1.00 0.00 H new ATOM 0 HE21 GLN B 17 5.544 1.845 5.800 1.00 0.00 H new ATOM 0 HE22 GLN B 17 6.864 1.861 6.975 1.00 0.00 H new ATOM 620 N LYS B 18 7.063 6.186 5.853 1.00 0.00 N ATOM 621 CA LYS B 18 7.706 6.684 7.065 1.00 0.00 C ATOM 622 C LYS B 18 8.680 7.815 6.733 1.00 0.00 C ATOM 623 O LYS B 18 9.895 7.690 6.895 1.00 0.00 O ATOM 624 CB LYS B 18 8.396 5.552 7.833 1.00 0.00 C ATOM 625 CG LYS B 18 7.422 4.564 8.471 1.00 0.00 C ATOM 626 CD LYS B 18 6.379 5.267 9.336 1.00 0.00 C ATOM 627 CE LYS B 18 5.054 5.443 8.600 1.00 0.00 C ATOM 628 NZ LYS B 18 4.234 6.544 9.177 1.00 0.00 N ATOM 0 H LYS B 18 6.044 6.224 5.879 1.00 0.00 H new ATOM 0 HA LYS B 18 6.933 7.091 7.718 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.055 5.012 7.153 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.025 5.983 8.612 1.00 0.00 H new ATOM 0 HG2 LYS B 18 6.920 3.994 7.689 1.00 0.00 H new ATOM 0 HG3 LYS B 18 7.977 3.850 9.080 1.00 0.00 H new ATOM 0 HD2 LYS B 18 6.215 4.691 10.247 1.00 0.00 H new ATOM 0 HD3 LYS B 18 6.758 6.243 9.640 1.00 0.00 H new ATOM 0 HE2 LYS B 18 5.249 5.650 7.548 1.00 0.00 H new ATOM 0 HE3 LYS B 18 4.490 4.511 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 3.343 6.628 8.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 4.025 6.335 10.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 4.760 7.439 9.114 1.00 0.00 H new ATOM 642 N LYS B 19 8.105 8.912 6.247 1.00 0.00 N ATOM 643 CA LYS B 19 8.838 10.120 5.868 1.00 0.00 C ATOM 644 C LYS B 19 9.889 9.885 4.780 1.00 0.00 C ATOM 645 O LYS B 19 10.793 10.700 4.606 1.00 0.00 O ATOM 646 CB LYS B 19 9.472 10.767 7.101 1.00 0.00 C ATOM 647 CG LYS B 19 8.444 11.390 8.029 1.00 0.00 C ATOM 648 CD LYS B 19 9.090 12.019 9.249 1.00 0.00 C ATOM 649 CE LYS B 19 8.050 12.408 10.286 1.00 0.00 C ATOM 650 NZ LYS B 19 7.172 11.265 10.649 1.00 0.00 N ATOM 0 H LYS B 19 7.098 8.989 6.102 1.00 0.00 H new ATOM 0 HA LYS B 19 8.105 10.800 5.435 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.042 10.016 7.648 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.179 11.533 6.782 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.878 12.147 7.487 1.00 0.00 H new ATOM 0 HG3 LYS B 19 7.733 10.628 8.347 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.801 11.319 9.688 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.656 12.901 8.949 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.551 12.779 11.180 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.441 13.225 9.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.745 11.438 11.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 6.420 11.165 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.735 10.391 10.682 1.00 0.00 H new ATOM 664 N GLN B 20 9.762 8.792 4.037 1.00 0.00 N ATOM 665 CA GLN B 20 10.692 8.501 2.953 1.00 0.00 C ATOM 666 C GLN B 20 9.931 8.502 1.637 1.00 0.00 C ATOM 667 O GLN B 20 9.045 7.679 1.432 1.00 0.00 O ATOM 668 CB GLN B 20 11.375 7.152 3.172 1.00 0.00 C ATOM 669 CG GLN B 20 12.475 7.194 4.217 1.00 0.00 C ATOM 670 CD GLN B 20 12.599 5.896 4.988 1.00 0.00 C ATOM 671 OE1 GLN B 20 13.309 4.979 4.575 1.00 0.00 O ATOM 672 NE2 GLN B 20 11.905 5.807 6.109 1.00 0.00 N ATOM 0 H GLN B 20 9.028 8.096 4.164 1.00 0.00 H new ATOM 0 HA GLN B 20 11.468 9.267 2.929 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.626 6.419 3.473 1.00 0.00 H new ATOM 0 HB3 GLN B 20 11.795 6.809 2.227 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.425 7.415 3.730 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.277 8.008 4.914 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.329 6.591 6.416 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.946 4.955 6.668 1.00 0.00 H new ATOM 681 N ASP B 21 10.281 9.416 0.751 1.00 0.00 N ATOM 682 CA ASP B 21 9.602 9.544 -0.535 1.00 0.00 C ATOM 683 C ASP B 21 10.008 8.463 -1.521 1.00 0.00 C ATOM 684 O ASP B 21 11.186 8.148 -1.688 1.00 0.00 O ATOM 685 CB ASP B 21 9.836 10.933 -1.145 1.00 0.00 C ATOM 686 CG ASP B 21 11.163 11.539 -0.738 1.00 0.00 C ATOM 687 OD1 ASP B 21 11.286 11.939 0.443 1.00 0.00 O ATOM 688 OD2 ASP B 21 12.071 11.617 -1.581 1.00 0.00 O ATOM 0 H ASP B 21 11.036 10.087 0.895 1.00 0.00 H new ATOM 0 HA ASP B 21 8.538 9.417 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.794 10.859 -2.232 1.00 0.00 H new ATOM 0 HB3 ASP B 21 9.029 11.599 -0.840 1.00 0.00 H new ATOM 693 N GLY B 22 8.997 7.876 -2.143 1.00 0.00 N ATOM 694 CA GLY B 22 9.204 6.847 -3.123 1.00 0.00 C ATOM 695 C GLY B 22 7.968 6.600 -3.951 1.00 0.00 C ATOM 696 O GLY B 22 7.215 7.527 -4.254 1.00 0.00 O ATOM 0 H GLY B 22 8.017 8.106 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.028 7.130 -3.777 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.496 5.924 -2.623 1.00 0.00 H new ATOM 700 N ALA B 23 7.731 5.344 -4.269 1.00 0.00 N ATOM 701 CA ALA B 23 6.601 4.962 -5.080 1.00 0.00 C ATOM 702 C ALA B 23 6.056 3.623 -4.621 1.00 0.00 C ATOM 703 O ALA B 23 6.818 2.730 -4.243 1.00 0.00 O ATOM 704 CB ALA B 23 7.023 4.908 -6.532 1.00 0.00 C ATOM 0 H ALA B 23 8.317 4.563 -3.972 1.00 0.00 H new ATOM 0 HA ALA B 23 5.807 5.701 -4.973 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.171 4.620 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.380 5.889 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.822 4.176 -6.652 1.00 0.00 H new ATOM 710 N LEU B 24 4.745 3.483 -4.667 1.00 0.00 N ATOM 711 CA LEU B 24 4.095 2.262 -4.228 1.00 0.00 C ATOM 712 C LEU B 24 3.708 1.434 -5.452 1.00 0.00 C ATOM 713 O LEU B 24 3.045 1.927 -6.361 1.00 0.00 O ATOM 714 CB LEU B 24 2.855 2.621 -3.397 1.00 0.00 C ATOM 715 CG LEU B 24 2.474 1.652 -2.271 1.00 0.00 C ATOM 716 CD1 LEU B 24 1.076 1.960 -1.760 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.566 0.208 -2.718 1.00 0.00 C ATOM 0 H LEU B 24 4.106 4.203 -5.005 1.00 0.00 H new ATOM 0 HA LEU B 24 4.771 1.674 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU B 24 3.013 3.606 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.005 2.706 -4.074 1.00 0.00 H new ATOM 0 HG LEU B 24 3.189 1.791 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.819 1.264 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.045 2.980 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.360 1.857 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.288 -0.447 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.889 0.043 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.587 -0.012 -3.028 1.00 0.00 H new ATOM 729 N TYR B 25 4.137 0.187 -5.478 1.00 0.00 N ATOM 730 CA TYR B 25 3.841 -0.694 -6.599 1.00 0.00 C ATOM 731 C TYR B 25 3.024 -1.906 -6.160 1.00 0.00 C ATOM 732 O TYR B 25 3.400 -2.621 -5.230 1.00 0.00 O ATOM 733 CB TYR B 25 5.137 -1.171 -7.262 1.00 0.00 C ATOM 734 CG TYR B 25 5.753 -0.176 -8.224 1.00 0.00 C ATOM 735 CD1 TYR B 25 6.235 1.049 -7.781 1.00 0.00 C ATOM 736 CD2 TYR B 25 5.859 -0.471 -9.577 1.00 0.00 C ATOM 737 CE1 TYR B 25 6.803 1.951 -8.657 1.00 0.00 C ATOM 738 CE2 TYR B 25 6.428 0.427 -10.460 1.00 0.00 C ATOM 739 CZ TYR B 25 6.898 1.636 -9.995 1.00 0.00 C ATOM 740 OH TYR B 25 7.461 2.534 -10.871 1.00 0.00 O ATOM 0 H TYR B 25 4.692 -0.242 -4.737 1.00 0.00 H new ATOM 0 HA TYR B 25 3.252 -0.120 -7.315 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.864 -1.403 -6.484 1.00 0.00 H new ATOM 0 HB3 TYR B 25 4.936 -2.099 -7.798 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.164 1.300 -6.733 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.491 -1.417 -9.945 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.171 2.900 -8.296 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.504 0.182 -11.509 1.00 0.00 H new ATOM 0 HH TYR B 25 7.452 2.158 -11.776 1.00 0.00 H new ATOM 750 N LEU B 26 1.898 -2.121 -6.825 1.00 0.00 N ATOM 751 CA LEU B 26 1.041 -3.262 -6.535 1.00 0.00 C ATOM 752 C LEU B 26 1.363 -4.379 -7.510 1.00 0.00 C ATOM 753 O LEU B 26 1.481 -4.131 -8.708 1.00 0.00 O ATOM 754 CB LEU B 26 -0.444 -2.900 -6.661 1.00 0.00 C ATOM 755 CG LEU B 26 -0.973 -1.881 -5.653 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.490 -1.931 -5.585 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.387 -2.124 -4.287 1.00 0.00 C ATOM 0 H LEU B 26 1.555 -1.517 -7.572 1.00 0.00 H new ATOM 0 HA LEU B 26 1.227 -3.577 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.619 -2.513 -7.665 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.030 -3.814 -6.565 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.670 -0.889 -5.989 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.846 -1.198 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.906 -1.704 -6.567 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.808 -2.927 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.778 -1.386 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.656 -3.124 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.698 -2.037 -4.336 1.00 0.00 H new ATOM 769 N MET B 27 1.519 -5.592 -7.006 1.00 0.00 N ATOM 770 CA MET B 27 1.820 -6.735 -7.856 1.00 0.00 C ATOM 771 C MET B 27 0.755 -7.805 -7.691 1.00 0.00 C ATOM 772 O MET B 27 0.025 -7.814 -6.704 1.00 0.00 O ATOM 773 CB MET B 27 3.197 -7.320 -7.531 1.00 0.00 C ATOM 774 CG MET B 27 4.337 -6.329 -7.673 1.00 0.00 C ATOM 775 SD MET B 27 5.803 -6.827 -6.750 1.00 0.00 S ATOM 776 CE MET B 27 6.936 -5.518 -7.196 1.00 0.00 C ATOM 0 H MET B 27 1.442 -5.812 -6.013 1.00 0.00 H new ATOM 0 HA MET B 27 1.830 -6.390 -8.890 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.186 -7.702 -6.510 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.384 -8.170 -8.188 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.594 -6.224 -8.727 1.00 0.00 H new ATOM 0 HG3 MET B 27 4.008 -5.350 -7.326 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.795 -5.536 -6.525 1.00 0.00 H new ATOM 0 HE2 MET B 27 7.274 -5.663 -8.222 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.431 -4.556 -7.113 1.00 0.00 H new ATOM 786 N ALA B 28 0.702 -8.706 -8.657 1.00 0.00 N ATOM 787 CA ALA B 28 -0.276 -9.794 -8.695 1.00 0.00 C ATOM 788 C ALA B 28 -0.449 -10.529 -7.366 1.00 0.00 C ATOM 789 O ALA B 28 -1.573 -10.718 -6.897 1.00 0.00 O ATOM 790 CB ALA B 28 0.119 -10.786 -9.770 1.00 0.00 C ATOM 0 H ALA B 28 1.343 -8.708 -9.450 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.238 -9.331 -8.914 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.608 -11.598 -9.801 1.00 0.00 H new ATOM 0 HB2 ALA B 28 0.143 -10.284 -10.737 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.106 -11.191 -9.546 1.00 0.00 H new ATOM 796 N GLU B 29 0.652 -10.941 -6.759 1.00 0.00 N ATOM 797 CA GLU B 29 0.585 -11.697 -5.516 1.00 0.00 C ATOM 798 C GLU B 29 1.143 -10.933 -4.319 1.00 0.00 C ATOM 799 O GLU B 29 1.147 -11.460 -3.199 1.00 0.00 O ATOM 800 CB GLU B 29 1.334 -13.031 -5.666 1.00 0.00 C ATOM 801 CG GLU B 29 2.454 -13.017 -6.705 1.00 0.00 C ATOM 802 CD GLU B 29 3.490 -11.935 -6.455 1.00 0.00 C ATOM 803 OE1 GLU B 29 4.439 -12.178 -5.682 1.00 0.00 O ATOM 804 OE2 GLU B 29 3.350 -10.837 -7.033 1.00 0.00 O ATOM 0 H GLU B 29 1.597 -10.767 -7.102 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.472 -11.876 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.756 -13.307 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.617 -13.807 -5.934 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.948 -13.989 -6.711 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.021 -12.874 -7.695 1.00 0.00 H new ATOM 811 N ARG B 30 1.576 -9.694 -4.513 1.00 0.00 N ATOM 812 CA ARG B 30 2.145 -8.954 -3.390 1.00 0.00 C ATOM 813 C ARG B 30 2.237 -7.457 -3.637 1.00 0.00 C ATOM 814 O ARG B 30 1.989 -6.971 -4.731 1.00 0.00 O ATOM 815 CB ARG B 30 3.537 -9.502 -3.060 1.00 0.00 C ATOM 816 CG ARG B 30 4.594 -9.192 -4.105 1.00 0.00 C ATOM 817 CD ARG B 30 5.849 -10.012 -3.869 1.00 0.00 C ATOM 818 NE ARG B 30 6.995 -9.493 -4.607 1.00 0.00 N ATOM 819 CZ ARG B 30 7.397 -9.971 -5.785 1.00 0.00 C ATOM 820 NH1 ARG B 30 6.718 -10.943 -6.383 1.00 0.00 N ATOM 821 NH2 ARG B 30 8.475 -9.467 -6.373 1.00 0.00 N ATOM 0 H ARG B 30 1.548 -9.193 -5.401 1.00 0.00 H new ATOM 0 HA ARG B 30 1.465 -9.095 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.858 -9.092 -2.102 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.470 -10.583 -2.938 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.200 -9.402 -5.099 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.838 -8.130 -4.076 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.079 -10.021 -2.804 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.667 -11.045 -4.165 1.00 0.00 H new ATOM 0 HE ARG B 30 7.519 -8.719 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.883 -11.329 -5.941 1.00 0.00 H new ATOM 0 HH12 ARG B 30 7.031 -11.304 -7.284 1.00 0.00 H new ATOM 0 HH21 ARG B 30 8.996 -8.714 -5.924 1.00 0.00 H new ATOM 0 HH22 ARG B 30 8.782 -9.833 -7.274 1.00 0.00 H new ATOM 835 N ILE B 31 2.586 -6.740 -2.583 1.00 0.00 N ATOM 836 CA ILE B 31 2.749 -5.300 -2.638 1.00 0.00 C ATOM 837 C ILE B 31 4.223 -4.963 -2.422 1.00 0.00 C ATOM 838 O ILE B 31 4.939 -5.718 -1.758 1.00 0.00 O ATOM 839 CB ILE B 31 1.873 -4.600 -1.567 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.897 -3.083 -1.743 1.00 0.00 C ATOM 841 CG2 ILE B 31 2.324 -4.979 -0.163 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.913 -2.352 -0.853 1.00 0.00 C ATOM 0 H ILE B 31 2.765 -7.142 -1.663 1.00 0.00 H new ATOM 0 HA ILE B 31 2.426 -4.940 -3.615 1.00 0.00 H new ATOM 0 HB ILE B 31 0.847 -4.943 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.903 -2.718 -1.535 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.680 -2.843 -2.784 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.694 -4.475 0.570 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.240 -6.058 -0.033 1.00 0.00 H new ATOM 0 HG23 ILE B 31 3.361 -4.676 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.987 -1.280 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.099 -2.689 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE B 31 1.143 -2.561 0.192 1.00 0.00 H new ATOM 854 N ALA B 32 4.690 -3.866 -2.999 1.00 0.00 N ATOM 855 CA ALA B 32 6.081 -3.473 -2.844 1.00 0.00 C ATOM 856 C ALA B 32 6.244 -1.962 -2.898 1.00 0.00 C ATOM 857 O ALA B 32 5.420 -1.256 -3.477 1.00 0.00 O ATOM 858 CB ALA B 32 6.939 -4.134 -3.909 1.00 0.00 C ATOM 0 H ALA B 32 4.130 -3.237 -3.575 1.00 0.00 H new ATOM 0 HA ALA B 32 6.413 -3.809 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.978 -3.830 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.864 -5.217 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.592 -3.830 -4.896 1.00 0.00 H new ATOM 864 N TRP B 33 7.312 -1.474 -2.290 1.00 0.00 N ATOM 865 CA TRP B 33 7.595 -0.052 -2.266 1.00 0.00 C ATOM 866 C TRP B 33 9.080 0.197 -2.535 1.00 0.00 C ATOM 867 O TRP B 33 9.935 -0.607 -2.152 1.00 0.00 O ATOM 868 CB TRP B 33 7.175 0.554 -0.923 1.00 0.00 C ATOM 869 CG TRP B 33 7.294 2.044 -0.898 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.351 2.956 -1.278 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.435 2.794 -0.491 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.848 4.224 -1.142 1.00 0.00 N ATOM 873 CE2 TRP B 33 8.122 4.150 -0.660 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.693 2.450 -0.002 1.00 0.00 C ATOM 875 CZ2 TRP B 33 9.020 5.159 -0.364 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.584 3.454 0.296 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.247 4.799 0.112 1.00 0.00 C ATOM 0 H TRP B 33 8.001 -2.048 -1.804 1.00 0.00 H new ATOM 0 HA TRP B 33 7.018 0.434 -3.053 1.00 0.00 H new ATOM 0 HB2 TRP B 33 6.144 0.273 -0.709 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.792 0.131 -0.130 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.360 2.713 -1.633 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.347 5.084 -1.365 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.964 1.414 0.140 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.759 6.197 -0.505 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.561 3.200 0.679 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.970 5.565 0.351 1.00 0.00 H new ATOM 888 N ALA B 34 9.365 1.309 -3.197 1.00 0.00 N ATOM 889 CA ALA B 34 10.723 1.694 -3.556 1.00 0.00 C ATOM 890 C ALA B 34 10.855 3.208 -3.506 1.00 0.00 C ATOM 891 O ALA B 34 9.962 3.905 -3.975 1.00 0.00 O ATOM 892 CB ALA B 34 11.077 1.178 -4.944 1.00 0.00 C ATOM 0 H ALA B 34 8.655 1.975 -3.503 1.00 0.00 H new ATOM 0 HA ALA B 34 11.416 1.250 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.095 1.476 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA B 34 11.003 0.091 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.386 1.598 -5.675 1.00 0.00 H new ATOM 898 N PRO B 35 11.930 3.746 -2.902 1.00 0.00 N ATOM 899 CA PRO B 35 12.131 5.197 -2.820 1.00 0.00 C ATOM 900 C PRO B 35 12.183 5.846 -4.203 1.00 0.00 C ATOM 901 O PRO B 35 12.403 5.167 -5.209 1.00 0.00 O ATOM 902 CB PRO B 35 13.468 5.357 -2.100 1.00 0.00 C ATOM 903 CG PRO B 35 13.725 4.042 -1.441 1.00 0.00 C ATOM 904 CD PRO B 35 13.034 3.000 -2.278 1.00 0.00 C ATOM 0 HA PRO B 35 11.308 5.687 -2.299 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.264 5.607 -2.801 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.425 6.162 -1.366 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.795 3.842 -1.379 1.00 0.00 H new ATOM 0 HG3 PRO B 35 13.340 4.038 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.704 2.574 -3.024 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.668 2.173 -1.670 1.00 0.00 H new ATOM 992 N PHE B 41 13.118 -2.478 -5.379 1.00 0.00 N ATOM 993 CA PHE B 41 12.205 -2.254 -4.264 1.00 0.00 C ATOM 994 C PHE B 41 12.883 -2.545 -2.930 1.00 0.00 C ATOM 995 O PHE B 41 13.750 -3.419 -2.839 1.00 0.00 O ATOM 996 CB PHE B 41 10.957 -3.126 -4.425 1.00 0.00 C ATOM 997 CG PHE B 41 10.261 -2.930 -5.743 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.344 -1.907 -5.911 1.00 0.00 C ATOM 999 CD2 PHE B 41 10.531 -3.766 -6.817 1.00 0.00 C ATOM 1000 CE1 PHE B 41 8.710 -1.719 -7.123 1.00 0.00 C ATOM 1001 CE2 PHE B 41 9.899 -3.584 -8.031 1.00 0.00 C ATOM 1002 CZ PHE B 41 8.987 -2.558 -8.184 1.00 0.00 C ATOM 0 HA PHE B 41 11.911 -1.204 -4.270 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.239 -4.174 -4.323 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.260 -2.903 -3.617 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.122 -1.248 -5.085 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.244 -4.569 -6.702 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.998 -0.916 -7.241 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.117 -4.242 -8.859 1.00 0.00 H new ATOM 0 HZ PHE B 41 8.491 -2.412 -9.132 1.00 0.00 H new ATOM 1012 N THR B 42 12.489 -1.813 -1.904 1.00 0.00 N ATOM 1013 CA THR B 42 13.062 -1.977 -0.579 1.00 0.00 C ATOM 1014 C THR B 42 12.156 -2.800 0.325 1.00 0.00 C ATOM 1015 O THR B 42 12.627 -3.587 1.144 1.00 0.00 O ATOM 1016 CB THR B 42 13.297 -0.607 0.076 1.00 0.00 C ATOM 1017 OG1 THR B 42 12.291 0.318 -0.362 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.670 -0.068 -0.277 1.00 0.00 C ATOM 0 H THR B 42 11.769 -1.093 -1.963 1.00 0.00 H new ATOM 0 HA THR B 42 14.009 -2.502 -0.702 1.00 0.00 H new ATOM 0 HB THR B 42 13.239 -0.729 1.158 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.247 1.073 0.261 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.813 0.903 0.198 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.434 -0.761 0.075 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.751 0.042 -1.358 1.00 0.00 H new ATOM 1026 N ILE B 43 10.857 -2.614 0.165 1.00 0.00 N ATOM 1027 CA ILE B 43 9.878 -3.308 0.983 1.00 0.00 C ATOM 1028 C ILE B 43 8.870 -4.055 0.111 1.00 0.00 C ATOM 1029 O ILE B 43 8.428 -3.538 -0.911 1.00 0.00 O ATOM 1030 CB ILE B 43 9.145 -2.294 1.894 1.00 0.00 C ATOM 1031 CG1 ILE B 43 10.103 -1.739 2.951 1.00 0.00 C ATOM 1032 CG2 ILE B 43 7.926 -2.924 2.556 1.00 0.00 C ATOM 1033 CD1 ILE B 43 9.551 -0.548 3.707 1.00 0.00 C ATOM 0 H ILE B 43 10.454 -1.984 -0.529 1.00 0.00 H new ATOM 0 HA ILE B 43 10.399 -4.039 1.602 1.00 0.00 H new ATOM 0 HB ILE B 43 8.796 -1.472 1.269 1.00 0.00 H new ATOM 0 HG12 ILE B 43 10.344 -2.530 3.662 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.036 -1.450 2.467 1.00 0.00 H new ATOM 0 HG21 ILE B 43 7.434 -2.186 3.189 1.00 0.00 H new ATOM 0 HG22 ILE B 43 7.231 -3.265 1.789 1.00 0.00 H new ATOM 0 HG23 ILE B 43 8.240 -3.772 3.164 1.00 0.00 H new ATOM 0 HD11 ILE B 43 10.285 -0.209 4.438 1.00 0.00 H new ATOM 0 HD12 ILE B 43 9.337 0.260 3.007 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.634 -0.836 4.220 1.00 0.00 H new ATOM 1045 N SER B 44 8.536 -5.278 0.507 1.00 0.00 N ATOM 1046 CA SER B 44 7.577 -6.093 -0.219 1.00 0.00 C ATOM 1047 C SER B 44 6.803 -6.969 0.767 1.00 0.00 C ATOM 1048 O SER B 44 7.388 -7.515 1.703 1.00 0.00 O ATOM 1049 CB SER B 44 8.299 -6.959 -1.252 1.00 0.00 C ATOM 1050 OG SER B 44 7.396 -7.469 -2.221 1.00 0.00 O ATOM 0 H SER B 44 8.922 -5.728 1.337 1.00 0.00 H new ATOM 0 HA SER B 44 6.875 -5.445 -0.744 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.072 -6.370 -1.747 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.801 -7.786 -0.749 1.00 0.00 H new ATOM 0 HG SER B 44 6.534 -7.011 -2.138 1.00 0.00 H new ATOM 1056 N HIS B 45 5.496 -7.101 0.561 1.00 0.00 N ATOM 1057 CA HIS B 45 4.654 -7.900 1.440 1.00 0.00 C ATOM 1058 C HIS B 45 3.646 -8.672 0.612 1.00 0.00 C ATOM 1059 O HIS B 45 2.896 -8.087 -0.168 1.00 0.00 O ATOM 1060 CB HIS B 45 3.915 -7.015 2.459 1.00 0.00 C ATOM 1061 CG HIS B 45 4.809 -6.308 3.435 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.530 -6.945 4.422 1.00 0.00 N ATOM 1063 CD2 HIS B 45 5.091 -4.985 3.565 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.212 -6.013 5.101 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.980 -4.809 4.620 1.00 0.00 N ATOM 0 H HIS B 45 4.996 -6.661 -0.212 1.00 0.00 H new ATOM 0 HA HIS B 45 5.292 -8.592 1.989 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.330 -6.272 1.918 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.210 -7.634 3.014 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.689 -4.196 2.947 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.867 -6.222 5.934 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.372 -3.928 4.953 1.00 0.00 H new ATOM 1073 N MET B 46 3.643 -9.981 0.760 1.00 0.00 N ATOM 1074 CA MET B 46 2.718 -10.816 0.019 1.00 0.00 C ATOM 1075 C MET B 46 1.316 -10.665 0.584 1.00 0.00 C ATOM 1076 O MET B 46 1.139 -10.577 1.796 1.00 0.00 O ATOM 1077 CB MET B 46 3.157 -12.278 0.071 1.00 0.00 C ATOM 1078 CG MET B 46 4.102 -12.672 -1.055 1.00 0.00 C ATOM 1079 SD MET B 46 4.474 -14.436 -1.078 1.00 0.00 S ATOM 1080 CE MET B 46 2.882 -15.120 -1.535 1.00 0.00 C ATOM 0 H MET B 46 4.269 -10.489 1.385 1.00 0.00 H new ATOM 0 HA MET B 46 2.715 -10.496 -1.023 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.645 -12.468 1.027 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.274 -12.915 0.032 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.660 -12.387 -2.010 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.031 -12.112 -0.955 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.019 -16.126 -1.931 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.238 -15.160 -0.657 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.420 -14.490 -2.295 1.00 0.00 H new ATOM 1090 N TYR B 47 0.325 -10.615 -0.301 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.077 -10.481 0.106 1.00 0.00 C ATOM 1092 C TYR B 47 -1.506 -11.597 1.058 1.00 0.00 C ATOM 1093 O TYR B 47 -2.524 -11.490 1.733 1.00 0.00 O ATOM 1094 CB TYR B 47 -1.992 -10.484 -1.118 1.00 0.00 C ATOM 1095 CG TYR B 47 -1.746 -9.344 -2.076 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.396 -8.079 -1.617 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -1.862 -9.535 -3.443 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.170 -7.042 -2.496 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.636 -8.503 -4.327 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.290 -7.259 -3.851 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.061 -6.230 -4.734 1.00 0.00 O ATOM 0 H TYR B 47 0.464 -10.665 -1.310 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.166 -9.530 0.632 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.864 -11.426 -1.651 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.029 -10.445 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.300 -7.906 -0.555 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.134 -10.509 -3.822 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -0.900 -6.064 -2.125 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.730 -8.670 -5.390 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.657 -6.586 -5.553 1.00 0.00 H new ATOM 1111 N ALA B 48 -0.727 -12.666 1.105 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.030 -13.788 1.972 1.00 0.00 C ATOM 1113 C ALA B 48 -0.541 -13.534 3.391 1.00 0.00 C ATOM 1114 O ALA B 48 -1.017 -14.159 4.341 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.409 -15.060 1.426 1.00 0.00 C ATOM 0 H ALA B 48 0.122 -12.778 0.550 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.113 -13.906 2.002 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.645 -15.893 2.088 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.808 -15.262 0.432 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.673 -14.940 1.366 1.00 0.00 H new ATOM 1121 N ASP B 49 0.414 -12.621 3.529 1.00 0.00 N ATOM 1122 CA ASP B 49 0.974 -12.284 4.833 1.00 0.00 C ATOM 1123 C ASP B 49 0.295 -11.048 5.395 1.00 0.00 C ATOM 1124 O ASP B 49 0.551 -10.643 6.531 1.00 0.00 O ATOM 1125 CB ASP B 49 2.484 -12.057 4.741 1.00 0.00 C ATOM 1126 CG ASP B 49 3.241 -13.338 4.466 1.00 0.00 C ATOM 1127 OD1 ASP B 49 3.214 -14.244 5.332 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.847 -13.446 3.383 1.00 0.00 O ATOM 0 H ASP B 49 0.818 -12.099 2.751 1.00 0.00 H new ATOM 0 HA ASP B 49 0.795 -13.124 5.504 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.693 -11.337 3.950 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.841 -11.619 5.673 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.572 -10.453 4.592 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.315 -9.280 5.006 1.00 0.00 C ATOM 1135 C ILE B 50 -2.691 -9.712 5.500 1.00 0.00 C ATOM 1136 O ILE B 50 -3.476 -10.295 4.755 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.460 -8.265 3.863 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.081 -7.882 3.315 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.208 -7.029 4.342 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.134 -7.100 2.023 1.00 0.00 C ATOM 0 H ILE B 50 -0.778 -10.768 3.644 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.765 -8.789 5.809 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.036 -8.724 3.060 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.446 -7.292 4.065 1.00 0.00 H new ATOM 0 HG13 ILE B 50 0.501 -8.790 3.156 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.302 -6.319 3.520 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.201 -7.316 4.689 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.658 -6.565 5.160 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.880 -6.866 1.698 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -0.632 -7.695 1.258 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -0.688 -6.174 2.180 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.964 -9.424 6.758 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.212 -9.816 7.388 1.00 0.00 C ATOM 1154 C LYS B 51 -5.327 -8.799 7.144 1.00 0.00 C ATOM 1155 O LYS B 51 -6.453 -9.180 6.828 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.966 -10.010 8.893 1.00 0.00 C ATOM 1157 CG LYS B 51 -5.221 -10.060 9.748 1.00 0.00 C ATOM 1158 CD LYS B 51 -4.909 -9.723 11.199 1.00 0.00 C ATOM 1159 CE LYS B 51 -6.133 -9.876 12.092 1.00 0.00 C ATOM 1160 NZ LYS B 51 -7.046 -8.702 11.997 1.00 0.00 N ATOM 0 H LYS B 51 -2.329 -8.913 7.372 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.548 -10.752 6.942 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -3.409 -10.935 9.038 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.333 -9.197 9.250 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.958 -9.358 9.359 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -5.665 -11.054 9.690 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -4.112 -10.374 11.560 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -4.538 -8.700 11.263 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -6.675 -10.780 11.812 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.813 -10.003 13.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -8.027 -9.012 12.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -6.787 -8.002 12.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -6.962 -8.272 11.054 1.00 0.00 H new ATOM 1174 N CYS B 52 -5.022 -7.512 7.281 1.00 0.00 N ATOM 1175 CA CYS B 52 -6.043 -6.475 7.095 1.00 0.00 C ATOM 1176 C CYS B 52 -5.462 -5.196 6.502 1.00 0.00 C ATOM 1177 O CYS B 52 -4.258 -5.106 6.260 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.720 -6.159 8.429 1.00 0.00 C ATOM 1179 SG CYS B 52 -7.360 -7.604 9.287 1.00 0.00 S ATOM 0 H CYS B 52 -4.093 -7.162 7.516 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.776 -6.866 6.390 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.004 -5.652 9.077 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.539 -5.462 8.253 1.00 0.00 H new ATOM 0 HG CYS B 52 -8.399 -8.060 8.653 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.322 -4.197 6.290 1.00 0.00 N ATOM 1186 CA GLN B 53 -5.901 -2.927 5.730 1.00 0.00 C ATOM 1187 C GLN B 53 -6.727 -1.802 6.314 1.00 0.00 C ATOM 1188 O GLN B 53 -7.939 -1.936 6.493 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.046 -2.919 4.205 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.428 -3.312 3.707 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.533 -3.253 2.196 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -7.143 -4.188 1.506 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.077 -2.166 1.670 1.00 0.00 N ATOM 0 H GLN B 53 -7.318 -4.252 6.502 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.850 -2.784 5.982 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.809 -1.922 3.834 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.311 -3.601 3.778 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.660 -4.322 4.046 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.173 -2.649 4.147 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.390 -1.408 2.276 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.183 -2.087 0.659 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.067 -0.717 6.656 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.757 0.439 7.170 1.00 0.00 C ATOM 1204 C LYS B 54 -6.546 1.584 6.212 1.00 0.00 C ATOM 1205 O LYS B 54 -5.649 1.539 5.368 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.234 0.918 8.516 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.639 -0.100 9.459 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.333 0.612 10.769 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.580 -0.242 11.991 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.079 0.565 13.133 1.00 0.00 N ATOM 0 H LYS B 54 -5.055 -0.614 6.586 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.800 0.144 7.286 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.476 1.678 8.326 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.056 1.411 9.035 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.335 -0.923 9.623 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.731 -0.530 9.036 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.291 0.933 10.764 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.944 1.512 10.835 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.305 -1.020 11.751 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.656 -0.744 12.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.490 -0.066 13.851 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.291 1.099 13.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -6.807 1.228 12.798 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.335 2.628 6.372 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.184 3.815 5.525 1.00 0.00 C ATOM 1226 C ILE B 55 -7.321 5.110 6.334 1.00 0.00 C ATOM 1227 O ILE B 55 -8.335 5.341 6.992 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.160 3.829 4.324 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.616 3.816 4.767 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -7.896 2.643 3.413 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.571 3.716 3.601 1.00 0.00 C ATOM 0 H ILE B 55 -8.079 2.688 7.067 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.173 3.761 5.120 1.00 0.00 H new ATOM 0 HB ILE B 55 -7.983 4.757 3.781 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.780 2.975 5.441 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.830 4.724 5.331 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.591 2.667 2.573 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -6.873 2.692 3.039 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.034 1.717 3.972 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.597 3.710 3.970 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.428 4.570 2.939 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.378 2.795 3.051 1.00 0.00 H new ATOM 1243 N SER B 56 -6.257 5.922 6.343 1.00 0.00 N ATOM 1244 CA SER B 56 -6.275 7.192 7.060 1.00 0.00 C ATOM 1245 C SER B 56 -6.933 8.271 6.228 1.00 0.00 C ATOM 1246 O SER B 56 -6.459 8.586 5.124 1.00 0.00 O ATOM 1247 CB SER B 56 -4.877 7.645 7.444 1.00 0.00 C ATOM 1248 OG SER B 56 -4.519 7.166 8.723 1.00 0.00 O ATOM 0 H SER B 56 -5.380 5.719 5.863 1.00 0.00 H new ATOM 0 HA SER B 56 -6.850 7.029 7.971 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.160 7.287 6.705 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.829 8.734 7.434 1.00 0.00 H new ATOM 0 HG SER B 56 -4.644 6.194 8.755 1.00 0.00 H new ATOM 1254 N PRO B 57 -7.977 8.893 6.802 1.00 0.00 N ATOM 1255 CA PRO B 57 -8.776 9.932 6.146 1.00 0.00 C ATOM 1256 C PRO B 57 -7.984 11.176 5.772 1.00 0.00 C ATOM 1257 O PRO B 57 -6.958 11.498 6.392 1.00 0.00 O ATOM 1258 CB PRO B 57 -9.810 10.322 7.206 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.212 9.892 8.496 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.448 8.645 8.177 1.00 0.00 C ATOM 0 HA PRO B 57 -9.185 9.551 5.210 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.001 11.395 7.197 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.765 9.827 7.028 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.557 10.662 8.903 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -9.982 9.702 9.243 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.618 8.491 8.867 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.079 7.758 8.235 1.00 0.00 H new ATOM 1268 N GLU B 58 -8.476 11.863 4.760 1.00 0.00 N ATOM 1269 CA GLU B 58 -7.888 13.103 4.300 1.00 0.00 C ATOM 1270 C GLU B 58 -8.255 14.214 5.276 1.00 0.00 C ATOM 1271 O GLU B 58 -9.237 14.106 6.010 1.00 0.00 O ATOM 1272 CB GLU B 58 -8.372 13.445 2.883 1.00 0.00 C ATOM 1273 CG GLU B 58 -9.818 13.051 2.605 1.00 0.00 C ATOM 1274 CD GLU B 58 -9.949 11.634 2.076 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -9.832 10.683 2.879 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -10.157 11.466 0.862 1.00 0.00 O ATOM 0 H GLU B 58 -9.299 11.574 4.232 1.00 0.00 H new ATOM 0 HA GLU B 58 -6.804 12.996 4.260 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -8.262 14.518 2.723 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -7.726 12.947 2.160 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -10.399 13.147 3.522 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -10.247 13.745 1.882 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.456 15.260 5.303 1.00 0.00 N ATOM 1284 CA GLY B 59 -7.707 16.356 6.215 1.00 0.00 C ATOM 1285 C GLY B 59 -6.495 16.615 7.070 1.00 0.00 C ATOM 1286 O GLY B 59 -6.239 17.740 7.491 1.00 0.00 O ATOM 0 H GLY B 59 -6.634 15.375 4.710 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -7.962 17.254 5.653 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.563 16.122 6.848 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.748 15.550 7.329 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.524 15.652 8.101 1.00 0.00 C ATOM 1292 C LYS B 60 -3.426 16.154 7.180 1.00 0.00 C ATOM 1293 O LYS B 60 -3.654 16.347 5.988 1.00 0.00 O ATOM 1294 CB LYS B 60 -4.105 14.286 8.674 1.00 0.00 C ATOM 1295 CG LYS B 60 -5.221 13.510 9.356 1.00 0.00 C ATOM 1296 CD LYS B 60 -4.681 12.320 10.151 1.00 0.00 C ATOM 1297 CE LYS B 60 -4.077 11.232 9.258 1.00 0.00 C ATOM 1298 NZ LYS B 60 -4.652 11.228 7.880 1.00 0.00 N ATOM 0 H LYS B 60 -5.971 14.606 7.014 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.689 16.334 8.935 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -3.700 13.677 7.865 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.299 14.441 9.391 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.770 14.174 10.023 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -5.928 13.155 8.606 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.923 12.671 10.851 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -5.488 11.890 10.744 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -2.998 11.377 9.196 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -4.242 10.258 9.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.220 10.462 7.326 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -5.680 11.079 7.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -4.458 12.140 7.420 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.231 16.329 7.716 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.100 16.769 6.911 1.00 0.00 C ATOM 1314 C ALA B 61 -0.543 15.584 6.125 1.00 0.00 C ATOM 1315 O ALA B 61 0.590 15.610 5.650 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.026 17.383 7.799 1.00 0.00 C ATOM 0 H ALA B 61 -2.017 16.174 8.701 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.432 17.533 6.208 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.813 17.707 7.184 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.439 18.240 8.330 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.318 16.641 8.520 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.366 14.543 6.008 1.00 0.00 N ATOM 1323 CA LYS B 62 -0.993 13.323 5.319 1.00 0.00 C ATOM 1324 C LYS B 62 -2.219 12.435 5.086 1.00 0.00 C ATOM 1325 O LYS B 62 -3.173 12.457 5.873 1.00 0.00 O ATOM 1326 CB LYS B 62 0.039 12.554 6.156 1.00 0.00 C ATOM 1327 CG LYS B 62 -0.378 12.352 7.608 1.00 0.00 C ATOM 1328 CD LYS B 62 0.624 11.501 8.378 1.00 0.00 C ATOM 1329 CE LYS B 62 1.876 12.283 8.745 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.759 11.519 9.664 1.00 0.00 N ATOM 0 H LYS B 62 -2.311 14.529 6.392 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.564 13.589 4.353 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.212 11.580 5.698 1.00 0.00 H new ATOM 0 HB3 LYS B 62 0.987 13.091 6.131 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -0.478 13.322 8.094 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -1.358 11.876 7.641 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.155 11.122 9.286 1.00 0.00 H new ATOM 0 HD3 LYS B 62 0.901 10.635 7.777 1.00 0.00 H new ATOM 0 HE2 LYS B 62 2.426 12.533 7.838 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.591 13.224 9.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 3.600 12.087 9.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 2.243 11.302 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 3.052 10.632 9.206 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.191 11.690 3.989 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.244 10.737 3.643 1.00 0.00 C ATOM 1346 C ILE B 63 -2.578 9.369 3.624 1.00 0.00 C ATOM 1347 O ILE B 63 -1.546 9.212 2.969 1.00 0.00 O ATOM 1348 CB ILE B 63 -3.893 11.043 2.269 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.619 12.393 2.301 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.859 9.936 1.870 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -3.799 13.544 1.756 1.00 0.00 C ATOM 0 H ILE B 63 -1.433 11.728 3.308 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.055 10.791 4.369 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.098 11.094 1.525 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.541 12.312 1.725 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -4.903 12.617 3.329 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.303 10.172 0.903 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.321 8.991 1.802 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.646 9.852 2.620 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.381 14.464 1.812 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.889 13.654 2.346 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.536 13.344 0.717 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.120 8.370 4.321 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.401 7.094 4.374 1.00 0.00 C ATOM 1365 C GLN B 64 -3.255 5.848 4.156 1.00 0.00 C ATOM 1366 O GLN B 64 -4.480 5.865 4.264 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.678 6.944 5.722 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.979 8.195 6.222 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.838 8.975 7.192 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -2.615 9.841 6.805 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -1.720 8.660 8.465 1.00 0.00 N ATOM 0 H GLN B 64 -4.003 8.409 4.830 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.705 7.146 3.536 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.403 6.628 6.472 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -0.941 6.146 5.634 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -0.044 7.918 6.708 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.722 8.830 5.374 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -1.063 7.934 8.752 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.285 9.142 9.164 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.536 4.767 3.862 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.083 3.433 3.651 1.00 0.00 C ATOM 1382 C LEU B 65 -2.157 2.447 4.363 1.00 0.00 C ATOM 1383 O LEU B 65 -0.991 2.358 4.011 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.085 3.093 2.173 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.179 2.137 1.724 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.403 2.901 1.269 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.647 1.227 0.639 1.00 0.00 C ATOM 0 H LEU B 65 -1.522 4.799 3.761 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.104 3.385 4.030 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.179 4.018 1.605 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.119 2.659 1.916 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.485 1.517 2.567 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.174 2.198 0.952 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.781 3.507 2.093 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.138 3.549 0.434 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.433 0.543 0.320 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.320 1.826 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.804 0.655 1.025 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.635 1.703 5.345 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.740 0.799 6.063 1.00 0.00 C ATOM 1401 C GLN B 66 -2.218 -0.638 6.020 1.00 0.00 C ATOM 1402 O GLN B 66 -3.415 -0.912 5.946 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.540 1.246 7.514 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.657 0.832 8.445 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.146 0.276 9.756 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.785 -0.892 9.836 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.150 1.095 10.797 1.00 0.00 N ATOM 0 H GLN B 66 -3.605 1.701 5.660 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.780 0.844 5.548 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.601 0.834 7.884 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.444 2.331 7.539 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.297 1.692 8.644 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -3.276 0.082 7.953 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.459 2.061 10.685 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.844 0.760 11.711 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.260 -1.545 6.074 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.543 -2.964 6.035 1.00 0.00 C ATOM 1418 C LEU B 67 -1.211 -3.628 7.362 1.00 0.00 C ATOM 1419 O LEU B 67 -0.114 -3.467 7.892 1.00 0.00 O ATOM 1420 CB LEU B 67 -0.734 -3.615 4.919 1.00 0.00 C ATOM 1421 CG LEU B 67 -0.837 -2.912 3.570 1.00 0.00 C ATOM 1422 CD1 LEU B 67 0.278 -3.365 2.646 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.195 -3.171 2.941 1.00 0.00 C ATOM 0 H LEU B 67 -0.268 -1.318 6.146 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.608 -3.096 5.846 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.314 -3.647 5.218 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.064 -4.647 4.803 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.731 -1.839 3.730 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.188 -2.852 1.688 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.242 -3.127 3.095 1.00 0.00 H new ATOM 0 HD13 LEU B 67 0.206 -4.441 2.490 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.253 -2.663 1.979 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.329 -4.243 2.794 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.978 -2.794 3.598 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.175 -4.360 7.890 1.00 0.00 N ATOM 1436 CA VAL B 68 -2.001 -5.090 9.137 1.00 0.00 C ATOM 1437 C VAL B 68 -1.633 -6.517 8.793 1.00 0.00 C ATOM 1438 O VAL B 68 -2.480 -7.286 8.352 1.00 0.00 O ATOM 1439 CB VAL B 68 -3.281 -5.080 9.998 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -3.025 -5.725 11.352 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.802 -3.660 10.170 1.00 0.00 C ATOM 0 H VAL B 68 -3.098 -4.466 7.470 1.00 0.00 H new ATOM 0 HA VAL B 68 -1.217 -4.607 9.721 1.00 0.00 H new ATOM 0 HB VAL B 68 -4.043 -5.664 9.481 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.941 -5.707 11.943 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.706 -6.757 11.209 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -2.245 -5.173 11.876 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.705 -3.675 10.780 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -3.043 -3.051 10.661 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -4.032 -3.236 9.193 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.373 -6.867 8.971 1.00 0.00 N ATOM 1452 CA LEU B 69 0.086 -8.199 8.619 1.00 0.00 C ATOM 1453 C LEU B 69 -0.237 -9.223 9.700 1.00 0.00 C ATOM 1454 O LEU B 69 -0.554 -8.868 10.836 1.00 0.00 O ATOM 1455 CB LEU B 69 1.584 -8.197 8.333 1.00 0.00 C ATOM 1456 CG LEU B 69 2.131 -6.914 7.703 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.643 -6.990 7.575 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.500 -6.663 6.342 1.00 0.00 C ATOM 0 H LEU B 69 0.346 -6.254 9.354 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.451 -8.490 7.716 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.115 -8.378 9.267 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.811 -9.032 7.671 1.00 0.00 H new ATOM 0 HG LEU B 69 1.874 -6.081 8.357 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.017 -6.070 7.125 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.086 -7.117 8.563 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.913 -7.838 6.945 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.906 -5.745 5.916 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.721 -7.499 5.679 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.420 -6.564 6.454 1.00 0.00 H new ATOM 1470 N HIS B 70 -0.142 -10.498 9.330 1.00 0.00 N ATOM 1471 CA HIS B 70 -0.421 -11.604 10.250 1.00 0.00 C ATOM 1472 C HIS B 70 0.573 -11.629 11.409 1.00 0.00 C ATOM 1473 O HIS B 70 0.296 -12.195 12.461 1.00 0.00 O ATOM 1474 CB HIS B 70 -0.361 -12.954 9.517 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.416 -13.147 8.468 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -1.792 -12.338 7.452 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -2.193 -14.279 8.353 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -2.788 -12.959 6.712 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -2.992 -14.118 7.288 1.00 0.00 N flip ATOM 0 H HIS B 70 0.128 -10.795 8.392 1.00 0.00 H new ATOM 0 HA HIS B 70 -1.425 -11.445 10.644 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.619 -13.055 9.050 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.448 -13.755 10.252 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -2.164 -15.141 9.003 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.292 -12.568 5.840 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -3.671 -14.809 6.968 1.00 0.00 H new ATOM 1487 N ALA B 71 1.730 -11.011 11.204 1.00 0.00 N ATOM 1488 CA ALA B 71 2.771 -10.976 12.225 1.00 0.00 C ATOM 1489 C ALA B 71 2.539 -9.852 13.231 1.00 0.00 C ATOM 1490 O ALA B 71 3.297 -9.702 14.186 1.00 0.00 O ATOM 1491 CB ALA B 71 4.138 -10.827 11.573 1.00 0.00 C ATOM 0 H ALA B 71 1.971 -10.527 10.339 1.00 0.00 H new ATOM 0 HA ALA B 71 2.733 -11.919 12.771 1.00 0.00 H new ATOM 0 HB1 ALA B 71 4.908 -10.802 12.344 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.318 -11.672 10.908 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.169 -9.901 10.999 1.00 0.00 H new ATOM 1497 N GLY B 72 1.500 -9.059 13.007 1.00 0.00 N ATOM 1498 CA GLY B 72 1.199 -7.962 13.909 1.00 0.00 C ATOM 1499 C GLY B 72 1.809 -6.656 13.447 1.00 0.00 C ATOM 1500 O GLY B 72 1.428 -5.585 13.916 1.00 0.00 O ATOM 0 H GLY B 72 0.860 -9.154 12.218 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.118 -7.847 13.990 1.00 0.00 H new ATOM 0 HA3 GLY B 72 1.570 -8.201 14.906 1.00 0.00 H new ATOM 1504 N ASP B 73 2.763 -6.752 12.530 1.00 0.00 N ATOM 1505 CA ASP B 73 3.435 -5.577 11.986 1.00 0.00 C ATOM 1506 C ASP B 73 2.483 -4.795 11.088 1.00 0.00 C ATOM 1507 O ASP B 73 1.568 -5.374 10.490 1.00 0.00 O ATOM 1508 CB ASP B 73 4.685 -5.995 11.208 1.00 0.00 C ATOM 1509 CG ASP B 73 5.387 -4.819 10.561 1.00 0.00 C ATOM 1510 OD1 ASP B 73 5.730 -3.862 11.286 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.583 -4.849 9.329 1.00 0.00 O ATOM 0 H ASP B 73 3.091 -7.638 12.145 1.00 0.00 H new ATOM 0 HA ASP B 73 3.741 -4.933 12.811 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.376 -6.500 11.882 1.00 0.00 H new ATOM 0 HB3 ASP B 73 4.406 -6.715 10.439 1.00 0.00 H new ATOM 1516 N THR B 74 2.692 -3.489 10.991 1.00 0.00 N ATOM 1517 CA THR B 74 1.830 -2.641 10.187 1.00 0.00 C ATOM 1518 C THR B 74 2.640 -1.687 9.311 1.00 0.00 C ATOM 1519 O THR B 74 3.557 -1.017 9.787 1.00 0.00 O ATOM 1520 CB THR B 74 0.889 -1.814 11.087 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.659 -1.064 12.036 1.00 0.00 O ATOM 1522 CG2 THR B 74 -0.095 -2.709 11.830 1.00 0.00 C ATOM 0 H THR B 74 3.452 -2.996 11.460 1.00 0.00 H new ATOM 0 HA THR B 74 1.244 -3.298 9.544 1.00 0.00 H new ATOM 0 HB THR B 74 0.323 -1.136 10.448 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.057 -0.539 12.604 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.744 -2.096 12.455 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.700 -3.260 11.110 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.454 -3.412 12.456 1.00 0.00 H new ATOM 1530 N THR B 75 2.279 -1.617 8.040 1.00 0.00 N ATOM 1531 CA THR B 75 2.955 -0.743 7.092 1.00 0.00 C ATOM 1532 C THR B 75 2.024 0.393 6.662 1.00 0.00 C ATOM 1533 O THR B 75 1.129 0.182 5.846 1.00 0.00 O ATOM 1534 CB THR B 75 3.400 -1.537 5.849 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.382 -2.944 6.140 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.796 -1.123 5.408 1.00 0.00 C ATOM 0 H THR B 75 1.515 -2.160 7.637 1.00 0.00 H new ATOM 0 HA THR B 75 3.834 -0.324 7.582 1.00 0.00 H new ATOM 0 HB THR B 75 2.705 -1.321 5.038 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.664 -3.446 5.347 1.00 0.00 H new ATOM 0 HG21 THR B 75 5.086 -1.699 4.529 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.800 -0.061 5.164 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.504 -1.313 6.215 1.00 0.00 H new ATOM 1544 N ASN B 76 2.218 1.593 7.216 1.00 0.00 N ATOM 1545 CA ASN B 76 1.361 2.729 6.871 1.00 0.00 C ATOM 1546 C ASN B 76 1.961 3.516 5.704 1.00 0.00 C ATOM 1547 O ASN B 76 2.998 4.164 5.847 1.00 0.00 O ATOM 1548 CB ASN B 76 1.140 3.683 8.070 1.00 0.00 C ATOM 1549 CG ASN B 76 1.198 3.009 9.437 1.00 0.00 C ATOM 1550 OD1 ASN B 76 2.220 2.439 9.813 1.00 0.00 O ATOM 1551 ND2 ASN B 76 0.118 3.110 10.207 1.00 0.00 N ATOM 0 H ASN B 76 2.950 1.801 7.895 1.00 0.00 H new ATOM 0 HA ASN B 76 0.393 2.318 6.584 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.894 4.470 8.035 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.169 4.166 7.959 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.120 2.707 11.144 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.712 3.591 9.861 1.00 0.00 H new ATOM 1558 N PHE B 77 1.291 3.453 4.559 1.00 0.00 N ATOM 1559 CA PHE B 77 1.731 4.144 3.348 1.00 0.00 C ATOM 1560 C PHE B 77 1.178 5.563 3.306 1.00 0.00 C ATOM 1561 O PHE B 77 -0.032 5.762 3.302 1.00 0.00 O ATOM 1562 CB PHE B 77 1.301 3.367 2.104 1.00 0.00 C ATOM 1563 CG PHE B 77 2.232 2.238 1.771 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.529 2.500 1.365 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.816 0.920 1.868 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.396 1.471 1.062 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.681 -0.115 1.562 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.973 0.161 1.160 1.00 0.00 C ATOM 0 H PHE B 77 0.428 2.922 4.442 1.00 0.00 H new ATOM 0 HA PHE B 77 2.819 4.201 3.363 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.297 2.971 2.258 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.247 4.049 1.256 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.866 3.523 1.284 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.808 0.699 2.185 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.406 1.690 0.748 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.346 -1.139 1.637 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.650 -0.646 0.923 1.00 0.00 H new ATOM 1578 N HIS B 78 2.071 6.537 3.265 1.00 0.00 N ATOM 1579 CA HIS B 78 1.701 7.949 3.255 1.00 0.00 C ATOM 1580 C HIS B 78 1.783 8.535 1.839 1.00 0.00 C ATOM 1581 O HIS B 78 2.868 8.685 1.284 1.00 0.00 O ATOM 1582 CB HIS B 78 2.643 8.682 4.232 1.00 0.00 C ATOM 1583 CG HIS B 78 2.601 10.187 4.224 1.00 0.00 C ATOM 1584 ND1 HIS B 78 1.888 11.061 3.466 1.00 0.00 N flip ATOM 1585 CD2 HIS B 78 3.391 10.963 5.047 1.00 0.00 C flip ATOM 1586 CE1 HIS B 78 2.241 12.361 3.812 1.00 0.00 C flip ATOM 1587 NE2 HIS B 78 3.145 12.247 4.765 1.00 0.00 N flip ATOM 0 H HIS B 78 3.078 6.374 3.238 1.00 0.00 H new ATOM 0 HA HIS B 78 0.666 8.073 3.574 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.414 8.342 5.242 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.665 8.371 4.015 1.00 0.00 H new ATOM 0 HD2 HIS B 78 4.086 10.598 5.789 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.854 13.276 3.387 1.00 0.00 H new ATOM 0 HE2 HIS B 78 3.598 13.036 5.227 1.00 0.00 H new ATOM 1595 N PHE B 79 0.636 8.867 1.258 1.00 0.00 N ATOM 1596 CA PHE B 79 0.608 9.461 -0.075 1.00 0.00 C ATOM 1597 C PHE B 79 0.848 10.959 0.043 1.00 0.00 C ATOM 1598 O PHE B 79 0.103 11.655 0.732 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.736 9.230 -0.783 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.201 7.804 -0.832 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -0.744 6.941 -1.815 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -2.124 7.336 0.086 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.201 5.640 -1.880 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -2.580 6.034 0.029 1.00 0.00 C ATOM 1605 CZ PHE B 79 -2.120 5.185 -0.957 1.00 0.00 C ATOM 0 H PHE B 79 -0.281 8.737 1.685 1.00 0.00 H new ATOM 0 HA PHE B 79 1.388 8.983 -0.668 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.499 9.826 -0.282 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -0.659 9.604 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -0.022 7.290 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -2.492 7.997 0.857 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -0.839 4.978 -2.653 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -3.296 5.680 0.756 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.478 4.167 -1.006 1.00 0.00 H new ATOM 1615 N SER B 80 1.878 11.460 -0.620 1.00 0.00 N ATOM 1616 CA SER B 80 2.184 12.883 -0.549 1.00 0.00 C ATOM 1617 C SER B 80 1.897 13.582 -1.873 1.00 0.00 C ATOM 1618 O SER B 80 2.445 14.647 -2.154 1.00 0.00 O ATOM 1619 CB SER B 80 3.641 13.103 -0.131 1.00 0.00 C ATOM 1620 OG SER B 80 4.543 12.437 -1.002 1.00 0.00 O ATOM 0 H SER B 80 2.509 10.913 -1.206 1.00 0.00 H new ATOM 0 HA SER B 80 1.534 13.323 0.208 1.00 0.00 H new ATOM 0 HB2 SER B 80 3.861 14.171 -0.126 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.786 12.743 0.888 1.00 0.00 H new ATOM 0 HG SER B 80 4.037 11.923 -1.666 1.00 0.00 H new ATOM 1626 N ASN B 81 1.046 12.980 -2.692 1.00 0.00 N ATOM 1627 CA ASN B 81 0.688 13.574 -3.970 1.00 0.00 C ATOM 1628 C ASN B 81 -0.395 14.616 -3.728 1.00 0.00 C ATOM 1629 O ASN B 81 -1.466 14.296 -3.243 1.00 0.00 O ATOM 1630 CB ASN B 81 0.209 12.500 -4.943 1.00 0.00 C ATOM 1631 CG ASN B 81 0.516 12.855 -6.382 1.00 0.00 C ATOM 1632 OD1 ASN B 81 0.647 14.026 -6.733 1.00 0.00 O ATOM 1633 ND2 ASN B 81 0.602 11.848 -7.234 1.00 0.00 N ATOM 0 H ASN B 81 0.594 12.087 -2.495 1.00 0.00 H new ATOM 0 HA ASN B 81 1.559 14.052 -4.418 1.00 0.00 H new ATOM 0 HB2 ASN B 81 0.683 11.550 -4.696 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.866 12.360 -4.826 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.783 12.029 -8.221 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.487 10.890 -6.904 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.129 15.851 -4.082 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.064 16.939 -3.820 1.00 0.00 C ATOM 1642 C GLU B 82 -2.417 16.725 -4.485 1.00 0.00 C ATOM 1643 O GLU B 82 -3.437 16.575 -3.813 1.00 0.00 O ATOM 1644 CB GLU B 82 -0.466 18.273 -4.282 1.00 0.00 C ATOM 1645 CG GLU B 82 0.766 18.712 -3.497 1.00 0.00 C ATOM 1646 CD GLU B 82 2.048 18.035 -3.955 1.00 0.00 C ATOM 1647 OE1 GLU B 82 1.995 17.174 -4.866 1.00 0.00 O ATOM 1648 OE2 GLU B 82 3.118 18.344 -3.395 1.00 0.00 O ATOM 0 H GLU B 82 0.729 16.136 -4.555 1.00 0.00 H new ATOM 0 HA GLU B 82 -1.231 16.958 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.202 18.194 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -1.229 19.047 -4.202 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.881 19.792 -3.590 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.609 18.498 -2.440 1.00 0.00 H new ATOM 1655 N SER B 83 -2.427 16.691 -5.800 1.00 0.00 N ATOM 1656 CA SER B 83 -3.666 16.527 -6.537 1.00 0.00 C ATOM 1657 C SER B 83 -4.019 15.066 -6.776 1.00 0.00 C ATOM 1658 O SER B 83 -5.008 14.772 -7.455 1.00 0.00 O ATOM 1659 CB SER B 83 -3.552 17.250 -7.876 1.00 0.00 C ATOM 1660 OG SER B 83 -3.155 18.596 -7.689 1.00 0.00 O ATOM 0 H SER B 83 -1.594 16.774 -6.382 1.00 0.00 H new ATOM 0 HA SER B 83 -4.466 16.955 -5.933 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.829 16.738 -8.510 1.00 0.00 H new ATOM 0 HB3 SER B 83 -4.510 17.218 -8.395 1.00 0.00 H new ATOM 0 HG SER B 83 -3.086 19.041 -8.560 1.00 0.00 H new ATOM 1666 N THR B 84 -3.238 14.144 -6.232 1.00 0.00 N ATOM 1667 CA THR B 84 -3.506 12.742 -6.486 1.00 0.00 C ATOM 1668 C THR B 84 -3.510 11.838 -5.245 1.00 0.00 C ATOM 1669 O THR B 84 -3.902 10.684 -5.354 1.00 0.00 O ATOM 1670 CB THR B 84 -2.502 12.216 -7.515 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.861 13.323 -8.168 1.00 0.00 O ATOM 1672 CG2 THR B 84 -3.199 11.371 -8.552 1.00 0.00 C ATOM 0 H THR B 84 -2.437 14.335 -5.630 1.00 0.00 H new ATOM 0 HA THR B 84 -4.527 12.700 -6.865 1.00 0.00 H new ATOM 0 HB THR B 84 -1.762 11.606 -6.997 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.217 12.987 -8.826 1.00 0.00 H new ATOM 0 HG21 THR B 84 -2.469 11.006 -9.275 1.00 0.00 H new ATOM 0 HG22 THR B 84 -3.683 10.524 -8.066 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.950 11.971 -9.066 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.110 12.347 -4.079 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.069 11.526 -2.855 1.00 0.00 C ATOM 1682 C ALA B 85 -4.381 10.799 -2.621 1.00 0.00 C ATOM 1683 O ALA B 85 -4.409 9.583 -2.455 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.740 12.373 -1.634 1.00 0.00 C ATOM 0 H ALA B 85 -2.811 13.314 -3.950 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.282 10.787 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.717 11.740 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.766 12.843 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.501 13.143 -1.510 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.463 11.559 -2.612 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.794 11.004 -2.397 1.00 0.00 C ATOM 1692 C VAL B 86 -7.154 9.979 -3.478 1.00 0.00 C ATOM 1693 O VAL B 86 -7.628 8.884 -3.178 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.852 12.128 -2.372 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.260 11.556 -2.307 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.601 13.066 -1.201 1.00 0.00 C ATOM 0 H VAL B 86 -5.448 12.569 -2.752 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.786 10.497 -1.432 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.764 12.695 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -9.983 12.371 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.439 10.930 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.368 10.957 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.355 13.853 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.656 12.506 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.611 13.512 -1.298 1.00 0.00 H new ATOM 1706 N LYS B 87 -6.885 10.331 -4.730 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.195 9.461 -5.861 1.00 0.00 C ATOM 1708 C LYS B 87 -6.374 8.176 -5.825 1.00 0.00 C ATOM 1709 O LYS B 87 -6.909 7.081 -6.003 1.00 0.00 O ATOM 1710 CB LYS B 87 -6.929 10.191 -7.179 1.00 0.00 C ATOM 1711 CG LYS B 87 -7.663 11.516 -7.312 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.137 12.319 -8.490 1.00 0.00 C ATOM 1713 CE LYS B 87 -7.778 13.695 -8.560 1.00 0.00 C ATOM 1714 NZ LYS B 87 -6.970 14.643 -9.371 1.00 0.00 N ATOM 0 H LYS B 87 -6.451 11.217 -4.989 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.250 9.198 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -5.858 10.370 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.218 9.543 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.730 11.333 -7.441 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.547 12.093 -6.394 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.055 12.425 -8.405 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.333 11.778 -9.416 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.776 13.609 -8.990 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.898 14.091 -7.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.551 15.468 -9.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.145 14.955 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.647 14.170 -10.239 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.078 8.313 -5.584 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.189 7.167 -5.546 1.00 0.00 C ATOM 1730 C GLU B 88 -4.484 6.307 -4.318 1.00 0.00 C ATOM 1731 O GLU B 88 -4.326 5.091 -4.352 1.00 0.00 O ATOM 1732 CB GLU B 88 -2.727 7.633 -5.581 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.317 8.186 -6.945 1.00 0.00 C ATOM 1734 CD GLU B 88 -0.831 8.483 -7.069 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.370 9.484 -6.489 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.122 7.730 -7.784 1.00 0.00 O ATOM 0 H GLU B 88 -4.621 9.208 -5.412 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.360 6.548 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.576 8.401 -4.822 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.077 6.797 -5.322 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.600 7.470 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.878 9.101 -7.139 1.00 0.00 H new ATOM 1743 N ARG B 89 -4.956 6.948 -3.254 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.304 6.251 -2.018 1.00 0.00 C ATOM 1745 C ARG B 89 -6.384 5.215 -2.281 1.00 0.00 C ATOM 1746 O ARG B 89 -6.254 4.051 -1.900 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.797 7.262 -0.968 1.00 0.00 C ATOM 1748 CG ARG B 89 -6.069 6.676 0.416 1.00 0.00 C ATOM 1749 CD ARG B 89 -7.520 6.226 0.593 1.00 0.00 C ATOM 1750 NE ARG B 89 -8.486 7.144 -0.019 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.970 8.240 0.566 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -8.591 8.585 1.791 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -9.855 8.981 -0.078 1.00 0.00 N ATOM 0 H ARG B 89 -5.108 7.956 -3.222 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.416 5.744 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -5.054 8.053 -0.871 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.712 7.727 -1.335 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -5.407 5.826 0.583 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -5.829 7.421 1.175 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.643 5.235 0.156 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.739 6.135 1.657 1.00 0.00 H new ATOM 0 HE ARG B 89 -8.812 6.928 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -7.920 8.008 2.299 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -8.971 9.427 2.224 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -10.161 8.712 -1.013 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.232 9.821 0.360 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.441 5.647 -2.952 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.565 4.775 -3.257 1.00 0.00 C ATOM 1769 C ASP B 90 -8.191 3.698 -4.263 1.00 0.00 C ATOM 1770 O ASP B 90 -8.665 2.572 -4.168 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.745 5.592 -3.777 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.628 6.084 -2.651 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -10.337 7.164 -2.099 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -11.597 5.377 -2.299 1.00 0.00 O ATOM 0 H ASP B 90 -7.544 6.601 -3.297 1.00 0.00 H new ATOM 0 HA ASP B 90 -8.852 4.277 -2.331 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.374 6.444 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.335 4.983 -4.462 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.306 4.029 -5.192 1.00 0.00 N ATOM 1780 CA ALA B 91 -6.895 3.079 -6.225 1.00 0.00 C ATOM 1781 C ALA B 91 -6.177 1.883 -5.609 1.00 0.00 C ATOM 1782 O ALA B 91 -6.313 0.746 -6.066 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.006 3.764 -7.251 1.00 0.00 C ATOM 0 H ALA B 91 -6.858 4.943 -5.255 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.790 2.714 -6.729 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.708 3.044 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -6.554 4.582 -7.719 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.118 4.158 -6.757 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.438 2.150 -4.547 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.689 1.115 -3.852 1.00 0.00 C ATOM 1791 C VAL B 92 -5.626 0.365 -2.924 1.00 0.00 C ATOM 1792 O VAL B 92 -5.623 -0.861 -2.877 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.508 1.692 -3.039 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.621 0.574 -2.520 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.690 2.656 -3.876 1.00 0.00 C ATOM 0 H VAL B 92 -5.339 3.082 -4.144 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.270 0.444 -4.602 1.00 0.00 H new ATOM 0 HB VAL B 92 -3.922 2.238 -2.191 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.795 1.000 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.205 -0.084 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.226 0.003 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.866 3.047 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.292 2.135 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.323 3.480 -4.204 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.434 1.135 -2.203 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.428 0.600 -1.282 1.00 0.00 C ATOM 1807 C LYS B 93 -8.292 -0.437 -1.990 1.00 0.00 C ATOM 1808 O LYS B 93 -8.412 -1.582 -1.551 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.288 1.768 -0.775 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.724 1.409 -0.437 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.550 2.653 -0.152 1.00 0.00 C ATOM 1812 CE LYS B 93 -12.013 2.453 -0.517 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.301 2.874 -1.916 1.00 0.00 N ATOM 0 H LYS B 93 -6.417 2.154 -2.242 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.940 0.109 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.816 2.188 0.113 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.294 2.551 -1.533 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.168 0.857 -1.265 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.742 0.751 0.431 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.470 2.909 0.905 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -10.146 3.495 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.277 1.403 -0.393 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -12.639 3.023 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.329 2.964 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.846 3.790 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -11.929 2.162 -2.576 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.847 -0.007 -3.109 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.707 -0.816 -3.954 1.00 0.00 C ATOM 1829 C ASP B 94 -9.032 -2.091 -4.427 1.00 0.00 C ATOM 1830 O ASP B 94 -9.557 -3.187 -4.233 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.129 0.022 -5.158 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.429 0.763 -4.927 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.518 1.512 -3.930 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.359 0.600 -5.739 1.00 0.00 O ATOM 0 H ASP B 94 -8.708 0.939 -3.464 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.572 -1.119 -3.364 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.342 0.740 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.235 -0.626 -6.028 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.873 -1.952 -5.052 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.151 -3.111 -5.561 1.00 0.00 C ATOM 1841 C LEU B 95 -6.764 -4.060 -4.436 1.00 0.00 C ATOM 1842 O LEU B 95 -6.939 -5.270 -4.555 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.907 -2.675 -6.341 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.853 -3.138 -7.804 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.106 -2.706 -8.552 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.615 -2.585 -8.488 1.00 0.00 C ATOM 0 H LEU B 95 -7.414 -1.057 -5.219 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.818 -3.644 -6.238 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.848 -1.587 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.024 -3.053 -5.825 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.803 -4.227 -7.817 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.047 -3.044 -9.587 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.983 -3.145 -8.076 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.187 -1.619 -8.530 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.591 -2.922 -9.524 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.640 -1.496 -8.461 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.724 -2.940 -7.970 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.288 -3.510 -3.331 1.00 0.00 N ATOM 1859 CA LEU B 96 -5.858 -4.324 -2.207 1.00 0.00 C ATOM 1860 C LEU B 96 -7.003 -5.101 -1.574 1.00 0.00 C ATOM 1861 O LEU B 96 -6.887 -6.308 -1.360 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.157 -3.474 -1.163 1.00 0.00 C ATOM 1863 CG LEU B 96 -3.767 -3.028 -1.583 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.089 -2.258 -0.467 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -2.928 -4.222 -2.002 1.00 0.00 C ATOM 0 H LEU B 96 -6.190 -2.505 -3.189 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.154 -5.056 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -5.765 -2.594 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.084 -4.039 -0.234 1.00 0.00 H new ATOM 0 HG LEU B 96 -3.866 -2.362 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.095 -1.949 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -3.681 -1.377 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.002 -2.894 0.414 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -1.936 -3.883 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.839 -4.916 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.406 -4.726 -2.842 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.119 -4.425 -1.303 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.266 -5.081 -0.678 1.00 0.00 C ATOM 1879 C GLN B 97 -9.854 -6.143 -1.598 1.00 0.00 C ATOM 1880 O GLN B 97 -10.515 -7.075 -1.148 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.333 -4.058 -0.271 1.00 0.00 C ATOM 1882 CG GLN B 97 -10.968 -3.311 -1.430 1.00 0.00 C ATOM 1883 CD GLN B 97 -11.829 -2.150 -0.966 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -11.432 -1.519 0.130 1.00 0.00 O flip ATOM 1885 NE2 GLN B 97 -12.836 -1.822 -1.589 1.00 0.00 N flip ATOM 0 H GLN B 97 -8.253 -3.434 -1.504 1.00 0.00 H new ATOM 0 HA GLN B 97 -8.915 -5.576 0.227 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.117 -4.572 0.286 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -9.883 -3.334 0.408 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.186 -2.938 -2.091 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.577 -4.001 -2.014 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -13.106 -2.335 -2.428 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.402 -1.037 -1.267 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.611 -5.995 -2.890 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.091 -6.964 -3.866 1.00 0.00 C ATOM 1896 C GLN B 98 -9.110 -8.131 -4.002 1.00 0.00 C ATOM 1897 O GLN B 98 -9.486 -9.246 -4.376 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.280 -6.291 -5.221 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.664 -5.694 -5.415 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.754 -4.817 -6.649 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -12.053 -5.293 -7.742 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.494 -3.531 -6.480 1.00 0.00 N ATOM 0 H GLN B 98 -9.086 -5.216 -3.288 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.048 -7.353 -3.518 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.535 -5.504 -5.334 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.094 -7.021 -6.009 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.395 -6.499 -5.492 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.928 -5.106 -4.536 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.250 -3.177 -5.555 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.538 -2.893 -7.275 1.00 0.00 H new ATOM 1911 N LEU B 99 -7.846 -7.862 -3.710 1.00 0.00 N ATOM 1912 CA LEU B 99 -6.794 -8.870 -3.811 1.00 0.00 C ATOM 1913 C LEU B 99 -6.632 -9.699 -2.538 1.00 0.00 C ATOM 1914 O LEU B 99 -6.738 -10.924 -2.585 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.461 -8.201 -4.158 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.371 -7.668 -5.588 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.288 -6.607 -5.696 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.107 -8.803 -6.568 1.00 0.00 C ATOM 0 H LEU B 99 -7.520 -6.947 -3.399 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.094 -9.555 -4.604 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.292 -7.377 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.657 -8.920 -4.001 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.327 -7.210 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.239 -6.240 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.521 -5.780 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.326 -7.039 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.046 -8.403 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.166 -9.292 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.919 -9.528 -6.512 1.00 0.00 H new ATOM 1930 N LEU B 100 -6.410 -9.011 -1.420 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.152 -9.634 -0.113 1.00 0.00 C ATOM 1932 C LEU B 100 -6.993 -10.881 0.213 1.00 0.00 C ATOM 1933 O LEU B 100 -6.419 -11.945 0.438 1.00 0.00 O ATOM 1934 CB LEU B 100 -6.282 -8.599 1.005 1.00 0.00 C ATOM 1935 CG LEU B 100 -5.080 -7.675 1.149 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -5.320 -6.646 2.241 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -3.828 -8.479 1.442 1.00 0.00 C ATOM 0 H LEU B 100 -6.403 -7.991 -1.391 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.128 -10.002 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.170 -7.994 0.822 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -6.440 -9.120 1.949 1.00 0.00 H new ATOM 0 HG LEU B 100 -4.940 -7.145 0.207 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.449 -5.997 2.327 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -6.196 -6.047 1.991 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -5.488 -7.155 3.190 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.978 -7.805 1.542 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.961 -9.035 2.370 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.644 -9.176 0.625 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.343 -10.801 0.242 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.195 -11.957 0.585 1.00 0.00 C ATOM 1951 C PRO B 101 -8.896 -13.220 -0.225 1.00 0.00 C ATOM 1952 O PRO B 101 -9.110 -14.330 0.250 1.00 0.00 O ATOM 1953 CB PRO B 101 -10.609 -11.460 0.282 1.00 0.00 C ATOM 1954 CG PRO B 101 -10.526 -9.984 0.435 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.157 -9.602 -0.049 1.00 0.00 C ATOM 0 HA PRO B 101 -9.031 -12.261 1.619 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.920 -11.738 -0.725 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.337 -11.890 0.970 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.301 -9.486 -0.148 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -10.670 -9.689 1.474 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.159 -9.366 -1.113 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.778 -8.723 0.472 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.389 -13.050 -1.438 1.00 0.00 N ATOM 1964 CA LYS B 102 -8.095 -14.191 -2.301 1.00 0.00 C ATOM 1965 C LYS B 102 -6.691 -14.755 -2.073 1.00 0.00 C ATOM 1966 O LYS B 102 -6.314 -15.736 -2.711 1.00 0.00 O ATOM 1967 CB LYS B 102 -8.252 -13.799 -3.772 1.00 0.00 C ATOM 1968 CG LYS B 102 -9.519 -13.011 -4.067 1.00 0.00 C ATOM 1969 CD LYS B 102 -9.775 -12.882 -5.564 1.00 0.00 C ATOM 1970 CE LYS B 102 -8.564 -12.334 -6.307 1.00 0.00 C ATOM 1971 NZ LYS B 102 -8.013 -11.114 -5.660 1.00 0.00 N ATOM 0 H LYS B 102 -8.173 -12.141 -1.847 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.811 -14.971 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.388 -13.206 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -8.248 -14.703 -4.381 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.370 -13.502 -3.595 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.439 -12.017 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -10.039 -13.858 -5.972 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.629 -12.226 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.790 -13.100 -6.352 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.844 -12.103 -7.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -7.748 -10.423 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.732 -10.698 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.173 -11.367 -5.101 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.908 -14.139 -1.193 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.552 -14.626 -0.947 1.00 0.00 C ATOM 1987 C PHE B 103 -4.266 -14.869 0.531 1.00 0.00 C ATOM 1988 O PHE B 103 -3.319 -15.579 0.847 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.506 -13.656 -1.504 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.580 -13.465 -2.992 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -3.035 -14.405 -3.852 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -4.191 -12.346 -3.533 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -3.100 -14.232 -5.220 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -4.259 -12.168 -4.901 1.00 0.00 C ATOM 1995 CZ PHE B 103 -3.713 -13.113 -5.746 1.00 0.00 C ATOM 0 H PHE B 103 -6.179 -13.320 -0.649 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.484 -15.583 -1.465 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.628 -12.688 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.512 -14.021 -1.244 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.554 -15.283 -3.447 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.620 -11.603 -2.877 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.671 -14.973 -5.879 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.739 -11.291 -5.309 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.765 -12.977 -6.816 1.00 0.00 H new