USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 ASN : amide:sc= -3.33! C(o=-3.3!,f=-4.2!) USER MOD Set 2.1: A 46 THR OG1 : rot 94:sc= 0.273 USER MOD Set 2.2: A 115 GLN : amide:sc= -2.11! K(o=-1.8!,f=-3) USER MOD Single : A 13 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.8!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.489 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.016) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= -0.108 X(o=-0.11,f=-0.53) USER MOD Single : A 67 ASN : amide:sc= -1.11 K(o=-1.1,f=-3!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= -0.0101 USER MOD Single : A 79 SER OG : rot 81:sc= 0.648 USER MOD Single : A 81 GLN : amide:sc= -0.464 K(o=-0.46,f=-1) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 86 GLN : amide:sc= -3.57! C(o=-3.6!,f=-7.7!) USER MOD Single : A 87 CYS SG : rot -45:sc= -0.433 USER MOD Single : A 89 THR OG1 : rot 70:sc= 0.296 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.3) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -55:sc= 0.0409 USER MOD Single : A 106 MET CE :methyl -116:sc= -3.34 (180deg=-6.12!) USER MOD Single : A 108 HIS : no HE2:sc= -2.6! C(o=-2.6!,f=-4!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 117 ASN : amide:sc= 1.12 K(o=1.1,f=-0.019) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -2.906 15.785 -1.696 1.00 0.00 N ATOM 123 CA VAL A 12 -3.517 14.880 -0.730 1.00 0.00 C ATOM 124 C VAL A 12 -4.979 14.617 -1.071 1.00 0.00 C ATOM 125 O VAL A 12 -5.481 13.509 -0.883 1.00 0.00 O ATOM 126 CB VAL A 12 -3.427 15.443 0.701 1.00 0.00 C ATOM 127 CG1 VAL A 12 -4.144 14.526 1.681 1.00 0.00 C ATOM 128 CG2 VAL A 12 -1.974 15.639 1.106 1.00 0.00 C ATOM 0 HA VAL A 12 -2.962 13.943 -0.779 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.920 16.415 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.070 14.939 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.194 14.442 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.683 13.539 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.929 16.037 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.454 14.682 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.496 16.338 0.420 1.00 0.00 H new ATOM 138 N GLN A 13 -5.658 15.644 -1.573 1.00 0.00 N ATOM 139 CA GLN A 13 -7.064 15.524 -1.939 1.00 0.00 C ATOM 140 C GLN A 13 -7.221 14.754 -3.247 1.00 0.00 C ATOM 141 O GLN A 13 -7.967 13.778 -3.316 1.00 0.00 O ATOM 142 CB GLN A 13 -7.699 16.909 -2.069 1.00 0.00 C ATOM 143 CG GLN A 13 -9.175 16.870 -2.431 1.00 0.00 C ATOM 144 CD GLN A 13 -10.053 16.474 -1.260 1.00 0.00 C ATOM 145 OE1 GLN A 13 -9.864 15.416 -0.658 1.00 0.00 O ATOM 146 NE2 GLN A 13 -11.019 17.322 -0.930 1.00 0.00 N ATOM 0 H GLN A 13 -5.257 16.568 -1.735 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.574 14.972 -1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.578 17.445 -1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.162 17.476 -2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.482 17.851 -2.795 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.326 16.165 -3.248 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.140 18.187 -1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.641 17.108 -0.150 1.00 0.00 H new ATOM 155 N GLU A 14 -6.515 15.202 -4.280 1.00 0.00 N ATOM 156 CA GLU A 14 -6.579 14.556 -5.586 1.00 0.00 C ATOM 157 C GLU A 14 -6.444 13.042 -5.450 1.00 0.00 C ATOM 158 O GLU A 14 -7.201 12.285 -6.057 1.00 0.00 O ATOM 159 CB GLU A 14 -5.479 15.097 -6.501 1.00 0.00 C ATOM 160 CG GLU A 14 -4.110 14.497 -6.228 1.00 0.00 C ATOM 161 CD GLU A 14 -3.043 15.024 -7.169 1.00 0.00 C ATOM 162 OE1 GLU A 14 -2.798 16.248 -7.160 1.00 0.00 O ATOM 163 OE2 GLU A 14 -2.455 14.212 -7.913 1.00 0.00 O ATOM 0 H GLU A 14 -5.893 16.009 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.551 14.779 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.752 14.901 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.422 16.179 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.821 14.714 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.168 13.413 -6.321 1.00 0.00 H new ATOM 170 N GLU A 15 -5.475 12.609 -4.649 1.00 0.00 N ATOM 171 CA GLU A 15 -5.241 11.186 -4.435 1.00 0.00 C ATOM 172 C GLU A 15 -6.498 10.501 -3.906 1.00 0.00 C ATOM 173 O GLU A 15 -7.107 9.679 -4.593 1.00 0.00 O ATOM 174 CB GLU A 15 -4.083 10.979 -3.456 1.00 0.00 C ATOM 175 CG GLU A 15 -3.312 9.690 -3.689 1.00 0.00 C ATOM 176 CD GLU A 15 -2.938 9.490 -5.145 1.00 0.00 C ATOM 177 OE1 GLU A 15 -2.850 10.496 -5.879 1.00 0.00 O ATOM 178 OE2 GLU A 15 -2.733 8.326 -5.549 1.00 0.00 O ATOM 0 H GLU A 15 -4.840 13.223 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.981 10.738 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.397 11.822 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.474 10.980 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.406 9.698 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.913 8.845 -3.353 1.00 0.00 H new ATOM 185 N LEU A 16 -6.880 10.844 -2.681 1.00 0.00 N ATOM 186 CA LEU A 16 -8.064 10.263 -2.058 1.00 0.00 C ATOM 187 C LEU A 16 -9.231 10.219 -3.040 1.00 0.00 C ATOM 188 O LEU A 16 -9.989 9.250 -3.076 1.00 0.00 O ATOM 189 CB LEU A 16 -8.458 11.065 -0.817 1.00 0.00 C ATOM 190 CG LEU A 16 -7.381 11.207 0.260 1.00 0.00 C ATOM 191 CD1 LEU A 16 -7.716 12.352 1.202 1.00 0.00 C ATOM 192 CD2 LEU A 16 -7.226 9.905 1.034 1.00 0.00 C ATOM 0 H LEU A 16 -6.387 11.522 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.823 9.242 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.760 12.063 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.333 10.595 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.433 11.431 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.939 12.438 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.776 13.282 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.674 12.158 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.456 10.024 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.172 9.651 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.939 9.107 0.350 1.00 0.00 H new ATOM 204 N SER A 17 -9.366 11.275 -3.837 1.00 0.00 N ATOM 205 CA SER A 17 -10.441 11.358 -4.819 1.00 0.00 C ATOM 206 C SER A 17 -10.313 10.249 -5.859 1.00 0.00 C ATOM 207 O SER A 17 -11.280 9.549 -6.159 1.00 0.00 O ATOM 208 CB SER A 17 -10.426 12.724 -5.508 1.00 0.00 C ATOM 209 OG SER A 17 -11.243 12.720 -6.666 1.00 0.00 O ATOM 0 H SER A 17 -8.745 12.084 -3.822 1.00 0.00 H new ATOM 0 HA SER A 17 -11.389 11.234 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.776 13.488 -4.815 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.404 12.986 -5.781 1.00 0.00 H new ATOM 0 HG SER A 17 -11.218 13.604 -7.087 1.00 0.00 H new ATOM 215 N VAL A 18 -9.112 10.096 -6.408 1.00 0.00 N ATOM 216 CA VAL A 18 -8.856 9.073 -7.414 1.00 0.00 C ATOM 217 C VAL A 18 -8.996 7.674 -6.824 1.00 0.00 C ATOM 218 O VAL A 18 -9.692 6.822 -7.377 1.00 0.00 O ATOM 219 CB VAL A 18 -7.448 9.223 -8.021 1.00 0.00 C ATOM 220 CG1 VAL A 18 -7.193 8.134 -9.052 1.00 0.00 C ATOM 221 CG2 VAL A 18 -7.279 10.603 -8.637 1.00 0.00 C ATOM 0 H VAL A 18 -8.301 10.668 -6.173 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.599 9.209 -8.200 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.713 9.114 -7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.194 8.256 -9.470 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.270 7.157 -8.576 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.932 8.208 -9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.279 10.692 -9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.021 10.744 -9.423 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.416 11.364 -7.869 1.00 0.00 H new ATOM 231 N LEU A 19 -8.333 7.445 -5.696 1.00 0.00 N ATOM 232 CA LEU A 19 -8.384 6.149 -5.028 1.00 0.00 C ATOM 233 C LEU A 19 -9.814 5.622 -4.970 1.00 0.00 C ATOM 234 O LEU A 19 -10.088 4.494 -5.377 1.00 0.00 O ATOM 235 CB LEU A 19 -7.810 6.258 -3.615 1.00 0.00 C ATOM 236 CG LEU A 19 -6.285 6.236 -3.506 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.834 6.874 -2.201 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.763 4.811 -3.613 1.00 0.00 C ATOM 0 H LEU A 19 -7.754 8.140 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.781 5.447 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.173 7.183 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.209 5.438 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.873 6.816 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.746 6.849 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.176 7.908 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.256 6.322 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.676 4.815 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.184 4.208 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.055 4.388 -4.574 1.00 0.00 H new ATOM 250 N ALA A 20 -10.723 6.448 -4.462 1.00 0.00 N ATOM 251 CA ALA A 20 -12.126 6.068 -4.354 1.00 0.00 C ATOM 252 C ALA A 20 -12.662 5.563 -5.690 1.00 0.00 C ATOM 253 O ALA A 20 -13.578 4.742 -5.731 1.00 0.00 O ATOM 254 CB ALA A 20 -12.955 7.244 -3.861 1.00 0.00 C ATOM 0 H ALA A 20 -10.512 7.385 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.202 5.256 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.001 6.946 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.595 7.557 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.864 8.073 -4.563 1.00 0.00 H new ATOM 260 N ALA A 21 -12.085 6.059 -6.779 1.00 0.00 N ATOM 261 CA ALA A 21 -12.504 5.657 -8.116 1.00 0.00 C ATOM 262 C ALA A 21 -11.940 4.288 -8.480 1.00 0.00 C ATOM 263 O ALA A 21 -12.680 3.389 -8.881 1.00 0.00 O ATOM 264 CB ALA A 21 -12.073 6.697 -9.140 1.00 0.00 C ATOM 0 H ALA A 21 -11.326 6.740 -6.762 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.592 5.586 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.393 6.383 -10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.529 7.657 -8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.988 6.797 -9.123 1.00 0.00 H new ATOM 270 N ILE A 22 -10.628 4.137 -8.338 1.00 0.00 N ATOM 271 CA ILE A 22 -9.966 2.877 -8.652 1.00 0.00 C ATOM 272 C ILE A 22 -10.784 1.689 -8.158 1.00 0.00 C ATOM 273 O ILE A 22 -10.913 0.679 -8.850 1.00 0.00 O ATOM 274 CB ILE A 22 -8.558 2.811 -8.030 1.00 0.00 C ATOM 275 CG1 ILE A 22 -7.562 3.597 -8.885 1.00 0.00 C ATOM 276 CG2 ILE A 22 -8.112 1.364 -7.883 1.00 0.00 C ATOM 277 CD1 ILE A 22 -7.442 5.052 -8.488 1.00 0.00 C ATOM 0 H ILE A 22 -10.002 4.872 -8.008 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.878 2.828 -9.737 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.593 3.263 -7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.582 3.127 -8.811 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.866 3.538 -9.930 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.116 1.333 -7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.811 0.832 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.090 0.889 -8.864 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.719 5.548 -9.136 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.413 5.538 -8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.108 5.120 -7.453 1.00 0.00 H new ATOM 376 N GLU A 28 -14.731 -1.508 -0.414 1.00 0.00 N ATOM 377 CA GLU A 28 -13.337 -1.470 -0.840 1.00 0.00 C ATOM 378 C GLU A 28 -12.678 -0.156 -0.430 1.00 0.00 C ATOM 379 O GLU A 28 -11.471 0.023 -0.594 1.00 0.00 O ATOM 380 CB GLU A 28 -13.239 -1.651 -2.357 1.00 0.00 C ATOM 381 CG GLU A 28 -11.966 -2.349 -2.805 1.00 0.00 C ATOM 382 CD GLU A 28 -12.126 -3.057 -4.136 1.00 0.00 C ATOM 383 OE1 GLU A 28 -13.280 -3.337 -4.525 1.00 0.00 O ATOM 384 OE2 GLU A 28 -11.098 -3.331 -4.790 1.00 0.00 O ATOM 0 HA GLU A 28 -12.811 -2.289 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.099 -2.225 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.295 -0.673 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.162 -1.617 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.667 -3.072 -2.047 1.00 0.00 H new ATOM 391 N TRP A 29 -13.479 0.759 0.103 1.00 0.00 N ATOM 392 CA TRP A 29 -12.975 2.057 0.536 1.00 0.00 C ATOM 393 C TRP A 29 -13.525 2.424 1.910 1.00 0.00 C ATOM 394 O TRP A 29 -14.718 2.682 2.061 1.00 0.00 O ATOM 395 CB TRP A 29 -13.347 3.137 -0.481 1.00 0.00 C ATOM 396 CG TRP A 29 -13.002 4.524 -0.028 1.00 0.00 C ATOM 397 CD1 TRP A 29 -13.865 5.469 0.447 1.00 0.00 C ATOM 398 CD2 TRP A 29 -11.701 5.121 -0.011 1.00 0.00 C ATOM 399 NE1 TRP A 29 -13.179 6.618 0.760 1.00 0.00 N ATOM 400 CE2 TRP A 29 -11.850 6.429 0.489 1.00 0.00 C ATOM 401 CE3 TRP A 29 -10.424 4.676 -0.366 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -10.770 7.295 0.639 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -9.354 5.537 -0.216 1.00 0.00 C ATOM 404 CH2 TRP A 29 -9.532 6.834 0.283 1.00 0.00 C ATOM 0 H TRP A 29 -14.480 0.626 0.246 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.889 1.992 0.606 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.836 2.932 -1.421 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.417 3.084 -0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -14.930 5.334 0.560 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -13.592 7.472 1.133 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.277 3.678 -0.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -10.905 8.295 1.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.363 5.204 -0.488 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.675 7.483 0.389 1.00 0.00 H new ATOM 415 N GLU A 30 -12.647 2.445 2.908 1.00 0.00 N ATOM 416 CA GLU A 30 -13.047 2.780 4.269 1.00 0.00 C ATOM 417 C GLU A 30 -12.075 3.778 4.892 1.00 0.00 C ATOM 418 O GLU A 30 -10.988 3.408 5.338 1.00 0.00 O ATOM 419 CB GLU A 30 -13.119 1.517 5.129 1.00 0.00 C ATOM 420 CG GLU A 30 -14.088 1.627 6.294 1.00 0.00 C ATOM 421 CD GLU A 30 -14.577 0.275 6.777 1.00 0.00 C ATOM 422 OE1 GLU A 30 -15.131 -0.484 5.954 1.00 0.00 O ATOM 423 OE2 GLU A 30 -14.405 -0.023 7.977 1.00 0.00 O ATOM 0 H GLU A 30 -11.655 2.234 2.799 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.035 3.239 4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.414 0.676 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.124 1.293 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.601 2.149 7.118 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.943 2.232 5.994 1.00 0.00 H new ATOM 430 N VAL A 31 -12.473 5.046 4.919 1.00 0.00 N ATOM 431 CA VAL A 31 -11.639 6.098 5.487 1.00 0.00 C ATOM 432 C VAL A 31 -11.717 6.099 7.009 1.00 0.00 C ATOM 433 O VAL A 31 -12.607 6.717 7.596 1.00 0.00 O ATOM 434 CB VAL A 31 -12.050 7.486 4.961 1.00 0.00 C ATOM 435 CG1 VAL A 31 -11.332 8.583 5.732 1.00 0.00 C ATOM 436 CG2 VAL A 31 -11.765 7.597 3.471 1.00 0.00 C ATOM 0 H VAL A 31 -13.369 5.370 4.554 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.614 5.891 5.179 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.122 7.610 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.635 9.557 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.591 8.514 6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.255 8.465 5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.062 8.584 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.699 7.452 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.329 6.834 2.935 1.00 0.00 H new ATOM 446 N LEU A 32 -10.780 5.405 7.645 1.00 0.00 N ATOM 447 CA LEU A 32 -10.742 5.326 9.101 1.00 0.00 C ATOM 448 C LEU A 32 -10.982 6.696 9.727 1.00 0.00 C ATOM 449 O LEU A 32 -12.032 6.943 10.321 1.00 0.00 O ATOM 450 CB LEU A 32 -9.395 4.769 9.566 1.00 0.00 C ATOM 451 CG LEU A 32 -8.942 3.468 8.903 1.00 0.00 C ATOM 452 CD1 LEU A 32 -7.687 2.934 9.577 1.00 0.00 C ATOM 453 CD2 LEU A 32 -10.055 2.431 8.948 1.00 0.00 C ATOM 0 H LEU A 32 -10.036 4.889 7.175 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.537 4.655 9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.631 5.527 9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.444 4.607 10.643 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.709 3.677 7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.379 2.008 9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.888 3.670 9.493 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.893 2.741 10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.715 1.511 8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.320 2.226 9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.929 2.812 8.419 1.00 0.00 H new ATOM 465 N SER A 33 -10.003 7.584 9.589 1.00 0.00 N ATOM 466 CA SER A 33 -10.107 8.929 10.142 1.00 0.00 C ATOM 467 C SER A 33 -9.546 9.962 9.169 1.00 0.00 C ATOM 468 O SER A 33 -8.809 9.622 8.243 1.00 0.00 O ATOM 469 CB SER A 33 -9.365 9.013 11.477 1.00 0.00 C ATOM 470 OG SER A 33 -8.043 8.516 11.358 1.00 0.00 O ATOM 0 H SER A 33 -9.128 7.396 9.099 1.00 0.00 H new ATOM 0 HA SER A 33 -11.162 9.147 10.307 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.338 10.048 11.817 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.905 8.443 12.233 1.00 0.00 H new ATOM 0 HG SER A 33 -7.589 8.582 12.224 1.00 0.00 H new ATOM 476 N ARG A 34 -9.900 11.224 9.387 1.00 0.00 N ATOM 477 CA ARG A 34 -9.434 12.307 8.530 1.00 0.00 C ATOM 478 C ARG A 34 -9.114 13.552 9.352 1.00 0.00 C ATOM 479 O ARG A 34 -10.011 14.197 9.895 1.00 0.00 O ATOM 480 CB ARG A 34 -10.488 12.638 7.472 1.00 0.00 C ATOM 481 CG ARG A 34 -10.333 11.840 6.187 1.00 0.00 C ATOM 482 CD ARG A 34 -11.338 12.280 5.134 1.00 0.00 C ATOM 483 NE ARG A 34 -12.698 11.863 5.467 1.00 0.00 N ATOM 484 CZ ARG A 34 -13.785 12.396 4.921 1.00 0.00 C ATOM 485 NH1 ARG A 34 -13.672 13.361 4.018 1.00 0.00 N ATOM 486 NH2 ARG A 34 -14.988 11.964 5.276 1.00 0.00 N ATOM 0 H ARG A 34 -10.508 11.522 10.150 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.522 11.977 8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.478 12.453 7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -10.434 13.701 7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.321 11.964 5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.466 10.779 6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.306 13.365 5.033 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.057 11.862 4.167 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.819 11.122 6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.749 13.695 3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.508 13.769 3.600 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.079 11.221 5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.822 12.374 4.856 1.00 0.00 H new ATOM 552 N GLY A 39 -3.089 14.346 10.339 1.00 0.00 N ATOM 553 CA GLY A 39 -2.842 13.595 9.121 1.00 0.00 C ATOM 554 C GLY A 39 -4.033 12.754 8.707 1.00 0.00 C ATOM 555 O GLY A 39 -4.914 12.468 9.518 1.00 0.00 O ATOM 0 HA2 GLY A 39 -2.592 14.286 8.316 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.977 12.948 9.266 1.00 0.00 H new ATOM 559 N THR A 40 -4.063 12.358 7.438 1.00 0.00 N ATOM 560 CA THR A 40 -5.156 11.547 6.916 1.00 0.00 C ATOM 561 C THR A 40 -4.848 10.060 7.045 1.00 0.00 C ATOM 562 O THR A 40 -3.833 9.580 6.538 1.00 0.00 O ATOM 563 CB THR A 40 -5.442 11.875 5.438 1.00 0.00 C ATOM 564 OG1 THR A 40 -5.819 13.250 5.306 1.00 0.00 O ATOM 565 CG2 THR A 40 -6.549 10.986 4.892 1.00 0.00 C ATOM 0 H THR A 40 -3.343 12.586 6.753 1.00 0.00 H new ATOM 0 HA THR A 40 -6.038 11.785 7.511 1.00 0.00 H new ATOM 0 HB THR A 40 -4.533 11.691 4.865 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.997 13.451 4.364 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.734 11.235 3.847 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.247 9.941 4.968 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.460 11.143 5.469 1.00 0.00 H new ATOM 573 N VAL A 41 -5.729 9.334 7.725 1.00 0.00 N ATOM 574 CA VAL A 41 -5.552 7.900 7.918 1.00 0.00 C ATOM 575 C VAL A 41 -6.717 7.117 7.323 1.00 0.00 C ATOM 576 O VAL A 41 -7.874 7.335 7.684 1.00 0.00 O ATOM 577 CB VAL A 41 -5.420 7.547 9.411 1.00 0.00 C ATOM 578 CG1 VAL A 41 -5.214 6.050 9.590 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.280 8.330 10.045 1.00 0.00 C ATOM 0 H VAL A 41 -6.573 9.716 8.152 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.632 7.623 7.404 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.346 7.825 9.915 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.123 5.820 10.651 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.067 5.513 9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.305 5.743 9.073 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.201 8.068 11.100 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.346 8.086 9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.475 9.398 9.950 1.00 0.00 H new ATOM 589 N PHE A 42 -6.404 6.204 6.409 1.00 0.00 N ATOM 590 CA PHE A 42 -7.425 5.388 5.763 1.00 0.00 C ATOM 591 C PHE A 42 -6.901 3.982 5.483 1.00 0.00 C ATOM 592 O PHE A 42 -5.692 3.765 5.397 1.00 0.00 O ATOM 593 CB PHE A 42 -7.882 6.044 4.458 1.00 0.00 C ATOM 594 CG PHE A 42 -6.883 5.920 3.343 1.00 0.00 C ATOM 595 CD1 PHE A 42 -6.783 4.747 2.612 1.00 0.00 C ATOM 596 CD2 PHE A 42 -6.045 6.977 3.026 1.00 0.00 C ATOM 597 CE1 PHE A 42 -5.864 4.631 1.586 1.00 0.00 C ATOM 598 CE2 PHE A 42 -5.125 6.866 2.001 1.00 0.00 C ATOM 599 CZ PHE A 42 -5.035 5.692 1.279 1.00 0.00 C ATOM 0 H PHE A 42 -5.452 6.011 6.099 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.276 5.311 6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.823 5.593 4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.081 7.100 4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.430 3.915 2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.112 7.898 3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.794 3.711 1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.477 7.697 1.765 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.318 5.604 0.476 1.00 0.00 H new ATOM 609 N ARG A 43 -7.819 3.032 5.341 1.00 0.00 N ATOM 610 CA ARG A 43 -7.451 1.648 5.073 1.00 0.00 C ATOM 611 C ARG A 43 -8.437 1.001 4.104 1.00 0.00 C ATOM 612 O ARG A 43 -9.651 1.100 4.281 1.00 0.00 O ATOM 613 CB ARG A 43 -7.401 0.848 6.376 1.00 0.00 C ATOM 614 CG ARG A 43 -7.107 -0.629 6.174 1.00 0.00 C ATOM 615 CD ARG A 43 -8.385 -1.431 5.983 1.00 0.00 C ATOM 616 NE ARG A 43 -8.928 -1.905 7.253 1.00 0.00 N ATOM 617 CZ ARG A 43 -10.172 -2.349 7.400 1.00 0.00 C ATOM 618 NH1 ARG A 43 -10.996 -2.378 6.362 1.00 0.00 N ATOM 619 NH2 ARG A 43 -10.593 -2.764 8.588 1.00 0.00 N ATOM 0 H ARG A 43 -8.824 3.196 5.407 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.462 1.644 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.638 1.276 7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.355 0.952 6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.463 -0.757 5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.560 -1.013 7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.128 -0.814 5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.185 -2.283 5.334 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.320 -1.895 8.072 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.676 -2.059 5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.950 -2.719 6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.962 -2.742 9.389 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.548 -3.105 8.700 1.00 0.00 H new ATOM 633 N ILE A 44 -7.906 0.340 3.081 1.00 0.00 N ATOM 634 CA ILE A 44 -8.739 -0.323 2.085 1.00 0.00 C ATOM 635 C ILE A 44 -8.323 -1.779 1.902 1.00 0.00 C ATOM 636 O ILE A 44 -7.159 -2.132 2.093 1.00 0.00 O ATOM 637 CB ILE A 44 -8.669 0.395 0.725 1.00 0.00 C ATOM 638 CG1 ILE A 44 -7.213 0.668 0.342 1.00 0.00 C ATOM 639 CG2 ILE A 44 -9.463 1.692 0.768 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.520 -0.521 -0.287 1.00 0.00 C ATOM 0 H ILE A 44 -6.903 0.249 2.920 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.764 -0.284 2.454 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.110 -0.252 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.180 1.507 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.662 0.970 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.403 2.187 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.505 1.473 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.050 2.346 1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.492 -0.255 -0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.521 -1.356 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.047 -0.810 -1.196 1.00 0.00 H new ATOM 652 N HIS A 45 -9.282 -2.620 1.529 1.00 0.00 N ATOM 653 CA HIS A 45 -9.016 -4.038 1.317 1.00 0.00 C ATOM 654 C HIS A 45 -8.568 -4.298 -0.119 1.00 0.00 C ATOM 655 O HIS A 45 -9.224 -3.876 -1.072 1.00 0.00 O ATOM 656 CB HIS A 45 -10.262 -4.866 1.632 1.00 0.00 C ATOM 657 CG HIS A 45 -10.341 -5.308 3.061 1.00 0.00 C ATOM 658 ND1 HIS A 45 -11.509 -5.284 3.793 1.00 0.00 N ATOM 659 CD2 HIS A 45 -9.388 -5.791 3.892 1.00 0.00 C ATOM 660 CE1 HIS A 45 -11.271 -5.730 5.013 1.00 0.00 C ATOM 661 NE2 HIS A 45 -9.992 -6.045 5.099 1.00 0.00 N ATOM 0 H HIS A 45 -10.251 -2.344 1.367 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.212 -4.336 1.990 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -11.149 -4.279 1.392 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -10.277 -5.745 0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.347 -5.947 3.651 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.999 -5.821 5.806 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.528 -6.417 5.928 1.00 0.00 H new ATOM 670 N THR A 46 -7.445 -4.994 -0.266 1.00 0.00 N ATOM 671 CA THR A 46 -6.909 -5.309 -1.584 1.00 0.00 C ATOM 672 C THR A 46 -6.335 -6.720 -1.622 1.00 0.00 C ATOM 673 O THR A 46 -5.832 -7.225 -0.618 1.00 0.00 O ATOM 674 CB THR A 46 -5.811 -4.310 -1.997 1.00 0.00 C ATOM 675 OG1 THR A 46 -5.414 -4.550 -3.351 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.603 -4.424 -1.080 1.00 0.00 C ATOM 0 H THR A 46 -6.889 -5.350 0.512 1.00 0.00 H new ATOM 0 HA THR A 46 -7.739 -5.238 -2.287 1.00 0.00 H new ATOM 0 HB THR A 46 -6.217 -3.302 -1.912 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.928 -3.969 -3.950 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.841 -3.709 -1.391 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.903 -4.211 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.197 -5.434 -1.137 1.00 0.00 H new ATOM 684 N LYS A 47 -6.412 -7.354 -2.787 1.00 0.00 N ATOM 685 CA LYS A 47 -5.898 -8.708 -2.957 1.00 0.00 C ATOM 686 C LYS A 47 -4.851 -8.758 -4.066 1.00 0.00 C ATOM 687 O LYS A 47 -4.973 -8.070 -5.078 1.00 0.00 O ATOM 688 CB LYS A 47 -7.042 -9.673 -3.279 1.00 0.00 C ATOM 689 CG LYS A 47 -8.025 -9.854 -2.135 1.00 0.00 C ATOM 690 CD LYS A 47 -9.139 -8.822 -2.189 1.00 0.00 C ATOM 691 CE LYS A 47 -9.845 -8.694 -0.848 1.00 0.00 C ATOM 692 NZ LYS A 47 -10.898 -9.733 -0.674 1.00 0.00 N ATOM 0 H LYS A 47 -6.826 -6.952 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.427 -9.010 -2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.579 -9.307 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.623 -10.644 -3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.453 -10.856 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.498 -9.772 -1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.727 -7.855 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.861 -9.104 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.115 -8.779 -0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.294 -7.704 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.356 -9.612 0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.609 -9.636 -1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.466 -10.677 -0.725 1.00 0.00 H new ATOM 706 N ALA A 48 -3.823 -9.577 -3.866 1.00 0.00 N ATOM 707 CA ALA A 48 -2.757 -9.718 -4.850 1.00 0.00 C ATOM 708 C ALA A 48 -2.885 -11.032 -5.613 1.00 0.00 C ATOM 709 O ALA A 48 -3.759 -11.848 -5.320 1.00 0.00 O ATOM 710 CB ALA A 48 -1.398 -9.629 -4.172 1.00 0.00 C ATOM 0 H ALA A 48 -3.706 -10.152 -3.032 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.847 -8.902 -5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.611 -9.736 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.300 -8.662 -3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.307 -10.425 -3.433 1.00 0.00 H new ATOM 716 N GLU A 49 -2.009 -11.230 -6.593 1.00 0.00 N ATOM 717 CA GLU A 49 -2.026 -12.446 -7.398 1.00 0.00 C ATOM 718 C GLU A 49 -1.701 -13.669 -6.545 1.00 0.00 C ATOM 719 O GLU A 49 -1.820 -14.805 -6.999 1.00 0.00 O ATOM 720 CB GLU A 49 -1.026 -12.335 -8.551 1.00 0.00 C ATOM 721 CG GLU A 49 -1.440 -11.341 -9.623 1.00 0.00 C ATOM 722 CD GLU A 49 -2.669 -11.790 -10.391 1.00 0.00 C ATOM 723 OE1 GLU A 49 -2.509 -12.505 -11.402 1.00 0.00 O ATOM 724 OE2 GLU A 49 -3.790 -11.425 -9.979 1.00 0.00 O ATOM 0 H GLU A 49 -1.279 -10.565 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.029 -12.566 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.055 -12.042 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.900 -13.317 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.638 -10.374 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.613 -11.197 -10.319 1.00 0.00 H new ATOM 731 N GLY A 50 -1.290 -13.425 -5.304 1.00 0.00 N ATOM 732 CA GLY A 50 -0.954 -14.514 -4.406 1.00 0.00 C ATOM 733 C GLY A 50 0.060 -15.468 -5.006 1.00 0.00 C ATOM 734 O GLY A 50 0.415 -15.351 -6.180 1.00 0.00 O ATOM 0 H GLY A 50 -1.184 -12.492 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.558 -14.105 -3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.860 -15.064 -4.152 1.00 0.00 H new ATOM 738 N PHE A 51 0.531 -16.413 -4.200 1.00 0.00 N ATOM 739 CA PHE A 51 1.513 -17.389 -4.657 1.00 0.00 C ATOM 740 C PHE A 51 0.830 -18.569 -5.342 1.00 0.00 C ATOM 741 O PHE A 51 1.232 -18.988 -6.427 1.00 0.00 O ATOM 742 CB PHE A 51 2.355 -17.887 -3.480 1.00 0.00 C ATOM 743 CG PHE A 51 3.222 -16.822 -2.871 1.00 0.00 C ATOM 744 CD1 PHE A 51 2.656 -15.735 -2.224 1.00 0.00 C ATOM 745 CD2 PHE A 51 4.603 -16.908 -2.945 1.00 0.00 C ATOM 746 CE1 PHE A 51 3.451 -14.754 -1.662 1.00 0.00 C ATOM 747 CE2 PHE A 51 5.403 -15.930 -2.385 1.00 0.00 C ATOM 748 CZ PHE A 51 4.826 -14.851 -1.744 1.00 0.00 C ATOM 0 H PHE A 51 0.248 -16.524 -3.226 1.00 0.00 H new ATOM 0 HA PHE A 51 2.165 -16.899 -5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.692 -18.287 -2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.986 -18.709 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.581 -15.653 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.059 -17.749 -3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.997 -13.913 -1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.478 -16.009 -2.449 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.449 -14.084 -1.308 1.00 0.00 H new ATOM 758 N MET A 52 -0.206 -19.099 -4.700 1.00 0.00 N ATOM 759 CA MET A 52 -0.947 -20.230 -5.248 1.00 0.00 C ATOM 760 C MET A 52 -2.009 -19.757 -6.235 1.00 0.00 C ATOM 761 O MET A 52 -3.134 -20.258 -6.238 1.00 0.00 O ATOM 762 CB MET A 52 -1.601 -21.032 -4.122 1.00 0.00 C ATOM 763 CG MET A 52 -2.062 -22.416 -4.550 1.00 0.00 C ATOM 764 SD MET A 52 -0.732 -23.632 -4.520 1.00 0.00 S ATOM 765 CE MET A 52 -1.577 -25.041 -3.807 1.00 0.00 C ATOM 0 H MET A 52 -0.551 -18.764 -3.801 1.00 0.00 H new ATOM 0 HA MET A 52 -0.243 -20.871 -5.779 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.893 -21.132 -3.300 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.457 -20.475 -3.740 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.866 -22.746 -3.892 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.476 -22.361 -5.557 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.883 -25.877 -3.724 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.950 -24.779 -2.817 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.413 -25.326 -4.446 1.00 0.00 H new ATOM 775 N ASP A 53 -1.646 -18.791 -7.071 1.00 0.00 N ATOM 776 CA ASP A 53 -2.569 -18.251 -8.063 1.00 0.00 C ATOM 777 C ASP A 53 -3.937 -17.982 -7.443 1.00 0.00 C ATOM 778 O ASP A 53 -4.970 -18.275 -8.044 1.00 0.00 O ATOM 779 CB ASP A 53 -2.709 -19.219 -9.239 1.00 0.00 C ATOM 780 CG ASP A 53 -3.008 -18.505 -10.543 1.00 0.00 C ATOM 781 OD1 ASP A 53 -2.047 -18.112 -11.237 1.00 0.00 O ATOM 782 OD2 ASP A 53 -4.202 -18.339 -10.869 1.00 0.00 O ATOM 0 H ASP A 53 -0.719 -18.365 -7.082 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.163 -17.307 -8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.789 -19.793 -9.345 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.506 -19.931 -9.027 1.00 0.00 H new ATOM 787 N ALA A 54 -3.935 -17.423 -6.238 1.00 0.00 N ATOM 788 CA ALA A 54 -5.175 -17.114 -5.537 1.00 0.00 C ATOM 789 C ALA A 54 -5.174 -15.676 -5.029 1.00 0.00 C ATOM 790 O ALA A 54 -4.126 -15.034 -4.956 1.00 0.00 O ATOM 791 CB ALA A 54 -5.386 -18.083 -4.384 1.00 0.00 C ATOM 0 H ALA A 54 -3.088 -17.175 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.999 -17.222 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.316 -17.840 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.440 -19.101 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.553 -18.004 -3.685 1.00 0.00 H new ATOM 797 N ASP A 55 -6.354 -15.177 -4.678 1.00 0.00 N ATOM 798 CA ASP A 55 -6.490 -13.815 -4.176 1.00 0.00 C ATOM 799 C ASP A 55 -6.364 -13.781 -2.656 1.00 0.00 C ATOM 800 O ASP A 55 -7.284 -14.173 -1.938 1.00 0.00 O ATOM 801 CB ASP A 55 -7.834 -13.222 -4.602 1.00 0.00 C ATOM 802 CG ASP A 55 -8.940 -14.259 -4.632 1.00 0.00 C ATOM 803 OD1 ASP A 55 -8.954 -15.138 -3.746 1.00 0.00 O ATOM 804 OD2 ASP A 55 -9.792 -14.190 -5.543 1.00 0.00 O ATOM 0 H ASP A 55 -7.231 -15.696 -4.732 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.686 -13.215 -4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.109 -12.421 -3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.733 -12.774 -5.590 1.00 0.00 H new ATOM 809 N ILE A 56 -5.218 -13.311 -2.172 1.00 0.00 N ATOM 810 CA ILE A 56 -4.973 -13.227 -0.738 1.00 0.00 C ATOM 811 C ILE A 56 -5.424 -11.881 -0.181 1.00 0.00 C ATOM 812 O ILE A 56 -5.218 -10.829 -0.788 1.00 0.00 O ATOM 813 CB ILE A 56 -3.482 -13.432 -0.409 1.00 0.00 C ATOM 814 CG1 ILE A 56 -3.019 -14.813 -0.877 1.00 0.00 C ATOM 815 CG2 ILE A 56 -3.241 -13.264 1.083 1.00 0.00 C ATOM 816 CD1 ILE A 56 -1.523 -15.013 -0.783 1.00 0.00 C ATOM 0 H ILE A 56 -4.446 -12.983 -2.752 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.553 -14.023 -0.272 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.901 -12.677 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.518 -15.576 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.333 -14.962 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.183 -13.412 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.537 -12.261 1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.830 -13.999 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.267 -16.014 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.017 -14.273 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.205 -14.897 0.253 1.00 0.00 H new ATOM 828 N PRO A 57 -6.054 -11.912 1.002 1.00 0.00 N ATOM 829 CA PRO A 57 -6.546 -10.702 1.669 1.00 0.00 C ATOM 830 C PRO A 57 -5.413 -9.823 2.185 1.00 0.00 C ATOM 831 O PRO A 57 -4.824 -10.101 3.231 1.00 0.00 O ATOM 832 CB PRO A 57 -7.371 -11.251 2.836 1.00 0.00 C ATOM 833 CG PRO A 57 -6.790 -12.595 3.111 1.00 0.00 C ATOM 834 CD PRO A 57 -6.335 -13.130 1.781 1.00 0.00 C ATOM 0 HA PRO A 57 -7.113 -10.065 0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.301 -10.603 3.710 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.427 -11.322 2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.956 -12.524 3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.530 -13.255 3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.449 -13.756 1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.105 -13.741 1.309 1.00 0.00 H new ATOM 842 N LEU A 58 -5.111 -8.761 1.446 1.00 0.00 N ATOM 843 CA LEU A 58 -4.047 -7.839 1.829 1.00 0.00 C ATOM 844 C LEU A 58 -4.625 -6.525 2.345 1.00 0.00 C ATOM 845 O LEU A 58 -5.634 -6.038 1.836 1.00 0.00 O ATOM 846 CB LEU A 58 -3.124 -7.572 0.640 1.00 0.00 C ATOM 847 CG LEU A 58 -1.839 -6.801 0.947 1.00 0.00 C ATOM 848 CD1 LEU A 58 -0.860 -7.678 1.710 1.00 0.00 C ATOM 849 CD2 LEU A 58 -1.207 -6.285 -0.338 1.00 0.00 C ATOM 0 H LEU A 58 -5.588 -8.517 0.578 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.471 -8.301 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.852 -8.529 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.685 -7.018 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.092 -5.945 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.048 -7.113 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.313 -7.998 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.612 -8.554 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.294 -5.739 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.968 -7.126 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.906 -5.620 -0.846 1.00 0.00 H new ATOM 861 N GLU A 59 -3.976 -5.955 3.355 1.00 0.00 N ATOM 862 CA GLU A 59 -4.425 -4.695 3.937 1.00 0.00 C ATOM 863 C GLU A 59 -3.368 -3.608 3.764 1.00 0.00 C ATOM 864 O GLU A 59 -2.263 -3.711 4.298 1.00 0.00 O ATOM 865 CB GLU A 59 -4.745 -4.880 5.422 1.00 0.00 C ATOM 866 CG GLU A 59 -5.287 -3.627 6.088 1.00 0.00 C ATOM 867 CD GLU A 59 -4.992 -3.582 7.575 1.00 0.00 C ATOM 868 OE1 GLU A 59 -4.786 -4.661 8.171 1.00 0.00 O ATOM 869 OE2 GLU A 59 -4.969 -2.471 8.143 1.00 0.00 O ATOM 0 H GLU A 59 -3.138 -6.345 3.787 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.329 -4.384 3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.474 -5.683 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.841 -5.197 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.854 -2.749 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.365 -3.575 5.934 1.00 0.00 H new ATOM 876 N LEU A 60 -3.715 -2.568 3.015 1.00 0.00 N ATOM 877 CA LEU A 60 -2.797 -1.461 2.770 1.00 0.00 C ATOM 878 C LEU A 60 -3.322 -0.171 3.391 1.00 0.00 C ATOM 879 O LEU A 60 -4.343 0.367 2.962 1.00 0.00 O ATOM 880 CB LEU A 60 -2.589 -1.269 1.267 1.00 0.00 C ATOM 881 CG LEU A 60 -1.460 -2.085 0.636 1.00 0.00 C ATOM 882 CD1 LEU A 60 -1.774 -2.394 -0.820 1.00 0.00 C ATOM 883 CD2 LEU A 60 -0.136 -1.345 0.753 1.00 0.00 C ATOM 0 H LEU A 60 -4.626 -2.468 2.566 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.841 -1.704 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.519 -1.518 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.396 -0.213 1.079 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.374 -3.028 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.960 -2.975 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.700 -2.967 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.888 -1.462 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.655 -1.941 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.208 -0.386 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.095 -1.177 1.805 1.00 0.00 H new ATOM 895 N VAL A 61 -2.616 0.323 4.404 1.00 0.00 N ATOM 896 CA VAL A 61 -3.009 1.552 5.082 1.00 0.00 C ATOM 897 C VAL A 61 -2.003 2.668 4.823 1.00 0.00 C ATOM 898 O VAL A 61 -0.918 2.688 5.404 1.00 0.00 O ATOM 899 CB VAL A 61 -3.140 1.337 6.602 1.00 0.00 C ATOM 900 CG1 VAL A 61 -3.539 2.632 7.292 1.00 0.00 C ATOM 901 CG2 VAL A 61 -4.145 0.234 6.898 1.00 0.00 C ATOM 0 H VAL A 61 -1.769 -0.110 4.773 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.979 1.840 4.678 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.170 1.029 6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.627 2.461 8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.780 3.392 7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.497 2.973 6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.226 0.095 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.119 0.511 6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.812 -0.695 6.436 1.00 0.00 H new ATOM 911 N PHE A 62 -2.372 3.597 3.947 1.00 0.00 N ATOM 912 CA PHE A 62 -1.502 4.717 3.609 1.00 0.00 C ATOM 913 C PHE A 62 -1.892 5.965 4.396 1.00 0.00 C ATOM 914 O PHE A 62 -3.046 6.396 4.366 1.00 0.00 O ATOM 915 CB PHE A 62 -1.565 5.006 2.108 1.00 0.00 C ATOM 916 CG PHE A 62 -1.018 3.894 1.260 1.00 0.00 C ATOM 917 CD1 PHE A 62 0.349 3.729 1.108 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.871 3.012 0.616 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.855 2.707 0.327 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.371 1.988 -0.166 1.00 0.00 C ATOM 921 CZ PHE A 62 -0.006 1.835 -0.309 1.00 0.00 C ATOM 0 H PHE A 62 -3.267 3.596 3.459 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.481 4.444 3.876 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.601 5.192 1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.009 5.919 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.027 4.407 1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.939 3.126 0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.923 2.591 0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.047 1.309 -0.664 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.388 1.034 -0.918 1.00 0.00 H new ATOM 931 N HIS A 63 -0.923 6.542 5.100 1.00 0.00 N ATOM 932 CA HIS A 63 -1.165 7.740 5.895 1.00 0.00 C ATOM 933 C HIS A 63 -0.546 8.967 5.231 1.00 0.00 C ATOM 934 O HIS A 63 0.675 9.064 5.099 1.00 0.00 O ATOM 935 CB HIS A 63 -0.596 7.567 7.303 1.00 0.00 C ATOM 936 CG HIS A 63 -0.224 8.859 7.962 1.00 0.00 C ATOM 937 ND1 HIS A 63 1.059 9.152 8.375 1.00 0.00 N ATOM 938 CD2 HIS A 63 -0.975 9.940 8.278 1.00 0.00 C ATOM 939 CE1 HIS A 63 1.080 10.356 8.918 1.00 0.00 C ATOM 940 NE2 HIS A 63 -0.141 10.856 8.871 1.00 0.00 N ATOM 0 H HIS A 63 0.037 6.199 5.136 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.243 7.890 5.962 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.330 7.051 7.922 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.285 6.927 7.254 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.866 8.535 8.277 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.033 10.060 8.097 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.949 10.848 9.330 1.00 0.00 H new ATOM 949 N LEU A 64 -1.395 9.899 4.813 1.00 0.00 N ATOM 950 CA LEU A 64 -0.931 11.119 4.162 1.00 0.00 C ATOM 951 C LEU A 64 -0.947 12.295 5.134 1.00 0.00 C ATOM 952 O LEU A 64 -1.977 12.927 5.365 1.00 0.00 O ATOM 953 CB LEU A 64 -1.805 11.436 2.947 1.00 0.00 C ATOM 954 CG LEU A 64 -2.146 10.253 2.039 1.00 0.00 C ATOM 955 CD1 LEU A 64 -3.165 10.664 0.988 1.00 0.00 C ATOM 956 CD2 LEU A 64 -0.888 9.706 1.381 1.00 0.00 C ATOM 0 H LEU A 64 -2.408 9.833 4.913 1.00 0.00 H new ATOM 0 HA LEU A 64 0.095 10.958 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.737 11.878 3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.299 12.194 2.349 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.584 9.464 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.396 9.810 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.076 11.007 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.755 11.470 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.150 8.865 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.421 10.488 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.191 9.372 2.150 1.00 0.00 H new ATOM 968 N PRO A 65 0.224 12.598 5.715 1.00 0.00 N ATOM 969 CA PRO A 65 0.371 13.701 6.669 1.00 0.00 C ATOM 970 C PRO A 65 0.237 15.066 6.002 1.00 0.00 C ATOM 971 O PRO A 65 -0.207 15.169 4.858 1.00 0.00 O ATOM 972 CB PRO A 65 1.788 13.510 7.215 1.00 0.00 C ATOM 973 CG PRO A 65 2.513 12.777 6.141 1.00 0.00 C ATOM 974 CD PRO A 65 1.493 11.887 5.485 1.00 0.00 C ATOM 0 HA PRO A 65 -0.403 13.682 7.436 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.262 14.468 7.430 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.780 12.943 8.146 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.947 13.470 5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.334 12.191 6.554 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.695 11.759 4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.483 10.892 5.929 1.00 0.00 H new ATOM 982 N VAL A 66 0.624 16.113 6.724 1.00 0.00 N ATOM 983 CA VAL A 66 0.548 17.472 6.201 1.00 0.00 C ATOM 984 C VAL A 66 1.837 17.857 5.483 1.00 0.00 C ATOM 985 O VAL A 66 1.905 18.892 4.821 1.00 0.00 O ATOM 986 CB VAL A 66 0.275 18.491 7.324 1.00 0.00 C ATOM 987 CG1 VAL A 66 -1.162 18.378 7.810 1.00 0.00 C ATOM 988 CG2 VAL A 66 1.252 18.292 8.473 1.00 0.00 C ATOM 0 H VAL A 66 0.993 16.046 7.672 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.280 17.493 5.492 1.00 0.00 H new ATOM 0 HB VAL A 66 0.420 19.494 6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.336 19.105 8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.843 18.574 6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.338 17.373 8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.045 19.020 9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.141 17.285 8.875 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.271 18.428 8.112 1.00 0.00 H new ATOM 998 N ASN A 67 2.857 17.017 5.619 1.00 0.00 N ATOM 999 CA ASN A 67 4.145 17.269 4.983 1.00 0.00 C ATOM 1000 C ASN A 67 4.225 16.580 3.624 1.00 0.00 C ATOM 1001 O ASN A 67 4.876 17.074 2.703 1.00 0.00 O ATOM 1002 CB ASN A 67 5.285 16.785 5.881 1.00 0.00 C ATOM 1003 CG ASN A 67 5.131 17.255 7.314 1.00 0.00 C ATOM 1004 OD1 ASN A 67 4.431 18.230 7.588 1.00 0.00 O ATOM 1005 ND2 ASN A 67 5.788 16.562 8.238 1.00 0.00 N ATOM 0 H ASN A 67 2.817 16.156 6.164 1.00 0.00 H new ATOM 0 HA ASN A 67 4.243 18.344 4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.322 15.696 5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.234 17.144 5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.723 16.832 9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.357 15.760 7.966 1.00 0.00 H new ATOM 1012 N TYR A 68 3.559 15.437 3.507 1.00 0.00 N ATOM 1013 CA TYR A 68 3.556 14.678 2.262 1.00 0.00 C ATOM 1014 C TYR A 68 3.169 15.566 1.084 1.00 0.00 C ATOM 1015 O TYR A 68 2.413 16.529 1.220 1.00 0.00 O ATOM 1016 CB TYR A 68 2.589 13.496 2.363 1.00 0.00 C ATOM 1017 CG TYR A 68 1.964 13.111 1.041 1.00 0.00 C ATOM 1018 CD1 TYR A 68 1.098 13.975 0.381 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.240 11.884 0.452 1.00 0.00 C ATOM 1020 CE1 TYR A 68 0.524 13.626 -0.826 1.00 0.00 C ATOM 1021 CE2 TYR A 68 1.672 11.527 -0.756 1.00 0.00 C ATOM 1022 CZ TYR A 68 0.814 12.402 -1.391 1.00 0.00 C ATOM 1023 OH TYR A 68 0.246 12.052 -2.594 1.00 0.00 O ATOM 0 H TYR A 68 3.014 15.015 4.259 1.00 0.00 H new ATOM 0 HA TYR A 68 4.565 14.301 2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.121 12.635 2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.798 13.744 3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.870 14.935 0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.910 11.197 0.947 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.148 14.308 -1.325 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.898 10.569 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 68 0.554 11.159 -2.854 1.00 0.00 H new ATOM 1033 N PRO A 69 3.700 15.237 -0.103 1.00 0.00 N ATOM 1034 CA PRO A 69 4.601 14.094 -0.278 1.00 0.00 C ATOM 1035 C PRO A 69 5.960 14.322 0.376 1.00 0.00 C ATOM 1036 O PRO A 69 6.722 13.380 0.591 1.00 0.00 O ATOM 1037 CB PRO A 69 4.750 13.988 -1.797 1.00 0.00 C ATOM 1038 CG PRO A 69 4.481 15.364 -2.301 1.00 0.00 C ATOM 1039 CD PRO A 69 3.461 15.955 -1.367 1.00 0.00 C ATOM 0 HA PRO A 69 4.208 13.191 0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.750 13.653 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.046 13.269 -2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.393 15.961 -2.311 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.105 15.338 -3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.598 17.030 -1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.445 15.801 -1.731 1.00 0.00 H new ATOM 1047 N SER A 70 6.256 15.579 0.691 1.00 0.00 N ATOM 1048 CA SER A 70 7.525 15.931 1.318 1.00 0.00 C ATOM 1049 C SER A 70 7.987 14.828 2.266 1.00 0.00 C ATOM 1050 O SER A 70 9.147 14.415 2.237 1.00 0.00 O ATOM 1051 CB SER A 70 7.392 17.251 2.080 1.00 0.00 C ATOM 1052 OG SER A 70 8.637 17.926 2.150 1.00 0.00 O ATOM 0 H SER A 70 5.635 16.370 0.522 1.00 0.00 H new ATOM 0 HA SER A 70 8.271 16.047 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.657 17.887 1.587 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.022 17.058 3.087 1.00 0.00 H new ATOM 0 HG SER A 70 8.526 18.767 2.640 1.00 0.00 H new ATOM 1058 N CYS A 71 7.071 14.357 3.105 1.00 0.00 N ATOM 1059 CA CYS A 71 7.384 13.302 4.064 1.00 0.00 C ATOM 1060 C CYS A 71 6.778 11.973 3.626 1.00 0.00 C ATOM 1061 O CYS A 71 5.773 11.941 2.915 1.00 0.00 O ATOM 1062 CB CYS A 71 6.869 13.679 5.454 1.00 0.00 C ATOM 1063 SG CYS A 71 7.618 12.732 6.800 1.00 0.00 S ATOM 0 H CYS A 71 6.107 14.688 3.141 1.00 0.00 H new ATOM 0 HA CYS A 71 8.468 13.190 4.104 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.054 14.740 5.623 1.00 0.00 H new ATOM 0 HB3 CYS A 71 5.789 13.536 5.481 1.00 0.00 H new ATOM 0 HG CYS A 71 7.121 13.124 7.935 1.00 0.00 H new ATOM 1069 N LEU A 72 7.396 10.878 4.053 1.00 0.00 N ATOM 1070 CA LEU A 72 6.919 9.544 3.705 1.00 0.00 C ATOM 1071 C LEU A 72 5.659 9.194 4.490 1.00 0.00 C ATOM 1072 O LEU A 72 5.570 9.411 5.698 1.00 0.00 O ATOM 1073 CB LEU A 72 8.008 8.504 3.975 1.00 0.00 C ATOM 1074 CG LEU A 72 9.292 8.649 3.158 1.00 0.00 C ATOM 1075 CD1 LEU A 72 10.403 7.799 3.755 1.00 0.00 C ATOM 1076 CD2 LEU A 72 9.046 8.266 1.706 1.00 0.00 C ATOM 0 H LEU A 72 8.229 10.887 4.641 1.00 0.00 H new ATOM 0 HA LEU A 72 6.676 9.538 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.268 8.545 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.592 7.514 3.787 1.00 0.00 H new ATOM 0 HG LEU A 72 9.604 9.693 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.309 7.915 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.597 8.120 4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.100 6.752 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.971 8.375 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.709 7.231 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.282 8.917 1.282 1.00 0.00 H new ATOM 1088 N PRO A 73 4.660 8.636 3.789 1.00 0.00 N ATOM 1089 CA PRO A 73 3.388 8.241 4.400 1.00 0.00 C ATOM 1090 C PRO A 73 3.539 7.040 5.328 1.00 0.00 C ATOM 1091 O PRO A 73 4.598 6.416 5.384 1.00 0.00 O ATOM 1092 CB PRO A 73 2.513 7.881 3.197 1.00 0.00 C ATOM 1093 CG PRO A 73 3.477 7.496 2.129 1.00 0.00 C ATOM 1094 CD PRO A 73 4.697 8.348 2.345 1.00 0.00 C ATOM 0 HA PRO A 73 2.973 9.032 5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.835 7.061 3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.897 8.726 2.889 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.725 6.436 2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.052 7.667 1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.609 7.822 2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.659 9.262 1.752 1.00 0.00 H new ATOM 1102 N GLY A 74 2.471 6.721 6.054 1.00 0.00 N ATOM 1103 CA GLY A 74 2.506 5.595 6.969 1.00 0.00 C ATOM 1104 C GLY A 74 1.974 4.322 6.342 1.00 0.00 C ATOM 1105 O GLY A 74 0.783 4.024 6.443 1.00 0.00 O ATOM 0 H GLY A 74 1.583 7.222 6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.531 5.432 7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.918 5.833 7.856 1.00 0.00 H new ATOM 1109 N ILE A 75 2.855 3.571 5.692 1.00 0.00 N ATOM 1110 CA ILE A 75 2.466 2.323 5.046 1.00 0.00 C ATOM 1111 C ILE A 75 2.448 1.170 6.044 1.00 0.00 C ATOM 1112 O ILE A 75 3.365 1.019 6.851 1.00 0.00 O ATOM 1113 CB ILE A 75 3.417 1.969 3.887 1.00 0.00 C ATOM 1114 CG1 ILE A 75 3.508 3.134 2.900 1.00 0.00 C ATOM 1115 CG2 ILE A 75 2.945 0.706 3.182 1.00 0.00 C ATOM 1116 CD1 ILE A 75 4.821 3.188 2.149 1.00 0.00 C ATOM 0 H ILE A 75 3.844 3.804 5.598 1.00 0.00 H new ATOM 0 HA ILE A 75 1.462 2.473 4.649 1.00 0.00 H new ATOM 0 HB ILE A 75 4.411 1.784 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.691 3.057 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.369 4.070 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.627 0.469 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.926 -0.121 3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.943 0.865 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.815 4.038 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.642 3.297 2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.953 2.268 1.580 1.00 0.00 H new ATOM 1128 N SER A 76 1.397 0.358 5.982 1.00 0.00 N ATOM 1129 CA SER A 76 1.257 -0.781 6.881 1.00 0.00 C ATOM 1130 C SER A 76 0.738 -2.005 6.131 1.00 0.00 C ATOM 1131 O SER A 76 -0.109 -1.889 5.245 1.00 0.00 O ATOM 1132 CB SER A 76 0.312 -0.435 8.033 1.00 0.00 C ATOM 1133 OG SER A 76 0.500 -1.314 9.129 1.00 0.00 O ATOM 0 H SER A 76 0.630 0.468 5.318 1.00 0.00 H new ATOM 0 HA SER A 76 2.241 -1.016 7.286 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.485 0.592 8.353 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.721 -0.492 7.690 1.00 0.00 H new ATOM 0 HG SER A 76 -0.115 -1.071 9.853 1.00 0.00 H new ATOM 1139 N ILE A 77 1.253 -3.175 6.494 1.00 0.00 N ATOM 1140 CA ILE A 77 0.841 -4.420 5.857 1.00 0.00 C ATOM 1141 C ILE A 77 0.434 -5.460 6.895 1.00 0.00 C ATOM 1142 O ILE A 77 1.166 -5.718 7.850 1.00 0.00 O ATOM 1143 CB ILE A 77 1.964 -5.001 4.978 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.469 -3.944 3.993 1.00 0.00 C ATOM 1145 CG2 ILE A 77 1.471 -6.233 4.235 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.413 -3.471 3.021 1.00 0.00 C ATOM 0 H ILE A 77 1.956 -3.287 7.225 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.017 -4.183 5.227 1.00 0.00 H new ATOM 0 HB ILE A 77 2.793 -5.296 5.621 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.846 -3.088 4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.310 -4.353 3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.276 -6.632 3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.155 -6.989 4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.628 -5.962 3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.841 -2.723 2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.053 -4.317 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.582 -3.032 3.572 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.739 -6.054 6.701 1.00 0.00 N ATOM 1159 CA ASN A 78 -1.244 -7.067 7.620 1.00 0.00 C ATOM 1160 C ASN A 78 -2.263 -7.969 6.929 1.00 0.00 C ATOM 1161 O ASN A 78 -3.297 -7.503 6.453 1.00 0.00 O ATOM 1162 CB ASN A 78 -1.880 -6.405 8.844 1.00 0.00 C ATOM 1163 CG ASN A 78 -0.955 -5.400 9.503 1.00 0.00 C ATOM 1164 OD1 ASN A 78 0.110 -5.757 10.007 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -1.359 -4.135 9.502 1.00 0.00 N ATOM 0 H ASN A 78 -1.357 -5.851 5.916 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.402 -7.680 7.943 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.802 -5.905 8.546 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.153 -7.173 9.568 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.779 -3.414 9.931 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.250 -3.884 9.072 1.00 0.00 H new ATOM 1172 N SER A 79 -1.962 -9.263 6.880 1.00 0.00 N ATOM 1173 CA SER A 79 -2.849 -10.230 6.245 1.00 0.00 C ATOM 1174 C SER A 79 -3.181 -11.372 7.201 1.00 0.00 C ATOM 1175 O SER A 79 -2.331 -11.817 7.971 1.00 0.00 O ATOM 1176 CB SER A 79 -2.206 -10.786 4.973 1.00 0.00 C ATOM 1177 OG SER A 79 -2.948 -11.880 4.463 1.00 0.00 O ATOM 0 H SER A 79 -1.111 -9.665 7.272 1.00 0.00 H new ATOM 0 HA SER A 79 -3.775 -9.718 5.982 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.145 -10.001 4.219 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.185 -11.103 5.186 1.00 0.00 H new ATOM 0 HG SER A 79 -3.717 -11.546 3.955 1.00 0.00 H new ATOM 1183 N GLU A 80 -4.425 -11.840 7.144 1.00 0.00 N ATOM 1184 CA GLU A 80 -4.870 -12.929 8.006 1.00 0.00 C ATOM 1185 C GLU A 80 -3.948 -14.138 7.875 1.00 0.00 C ATOM 1186 O GLU A 80 -3.752 -14.888 8.831 1.00 0.00 O ATOM 1187 CB GLU A 80 -6.306 -13.328 7.659 1.00 0.00 C ATOM 1188 CG GLU A 80 -7.312 -12.206 7.848 1.00 0.00 C ATOM 1189 CD GLU A 80 -7.770 -12.069 9.288 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -7.045 -11.434 10.082 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -8.852 -12.597 9.620 1.00 0.00 O ATOM 0 H GLU A 80 -5.141 -11.483 6.511 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.837 -12.579 9.038 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.340 -13.665 6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.599 -14.175 8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.868 -11.266 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.178 -12.388 7.211 1.00 0.00 H new ATOM 1198 N GLN A 81 -3.386 -14.320 6.684 1.00 0.00 N ATOM 1199 CA GLN A 81 -2.487 -15.438 6.427 1.00 0.00 C ATOM 1200 C GLN A 81 -1.060 -15.097 6.845 1.00 0.00 C ATOM 1201 O GLN A 81 -0.465 -15.783 7.677 1.00 0.00 O ATOM 1202 CB GLN A 81 -2.520 -15.817 4.946 1.00 0.00 C ATOM 1203 CG GLN A 81 -3.854 -16.388 4.493 1.00 0.00 C ATOM 1204 CD GLN A 81 -4.428 -17.384 5.481 1.00 0.00 C ATOM 1205 OE1 GLN A 81 -3.706 -18.216 6.032 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -5.733 -17.305 5.711 1.00 0.00 N ATOM 0 H GLN A 81 -3.538 -13.708 5.883 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.827 -16.287 7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.290 -14.935 4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.736 -16.548 4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.564 -15.573 4.350 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.727 -16.874 3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.293 -16.600 5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.175 -17.949 6.366 1.00 0.00 H new ATOM 1215 N LEU A 82 -0.518 -14.033 6.264 1.00 0.00 N ATOM 1216 CA LEU A 82 0.840 -13.599 6.576 1.00 0.00 C ATOM 1217 C LEU A 82 1.048 -13.504 8.084 1.00 0.00 C ATOM 1218 O LEU A 82 0.124 -13.177 8.830 1.00 0.00 O ATOM 1219 CB LEU A 82 1.127 -12.246 5.923 1.00 0.00 C ATOM 1220 CG LEU A 82 1.061 -12.210 4.396 1.00 0.00 C ATOM 1221 CD1 LEU A 82 1.251 -10.790 3.886 1.00 0.00 C ATOM 1222 CD2 LEU A 82 2.106 -13.139 3.795 1.00 0.00 C ATOM 0 H LEU A 82 -0.997 -13.454 5.574 1.00 0.00 H new ATOM 0 HA LEU A 82 1.533 -14.341 6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.416 -11.518 6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.120 -11.920 6.232 1.00 0.00 H new ATOM 0 HG LEU A 82 0.075 -12.556 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.201 -10.785 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.465 -10.151 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.223 -10.415 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.045 -13.101 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.100 -12.824 4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.923 -14.159 4.133 1.00 0.00 H new ATOM 1234 N THR A 83 2.269 -13.788 8.527 1.00 0.00 N ATOM 1235 CA THR A 83 2.599 -13.733 9.946 1.00 0.00 C ATOM 1236 C THR A 83 3.162 -12.369 10.326 1.00 0.00 C ATOM 1237 O THR A 83 3.323 -11.493 9.476 1.00 0.00 O ATOM 1238 CB THR A 83 3.619 -14.822 10.327 1.00 0.00 C ATOM 1239 OG1 THR A 83 4.788 -14.707 9.508 1.00 0.00 O ATOM 1240 CG2 THR A 83 3.016 -16.209 10.167 1.00 0.00 C ATOM 0 H THR A 83 3.046 -14.058 7.924 1.00 0.00 H new ATOM 0 HA THR A 83 1.673 -13.906 10.494 1.00 0.00 H new ATOM 0 HB THR A 83 3.893 -14.681 11.373 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.432 -15.402 9.758 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.755 -16.961 10.442 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.144 -16.304 10.814 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.716 -16.358 9.130 1.00 0.00 H new ATOM 1248 N ARG A 84 3.462 -12.195 11.609 1.00 0.00 N ATOM 1249 CA ARG A 84 4.007 -10.936 12.103 1.00 0.00 C ATOM 1250 C ARG A 84 5.348 -10.628 11.442 1.00 0.00 C ATOM 1251 O ARG A 84 5.723 -9.466 11.287 1.00 0.00 O ATOM 1252 CB ARG A 84 4.175 -10.989 13.622 1.00 0.00 C ATOM 1253 CG ARG A 84 4.271 -9.618 14.273 1.00 0.00 C ATOM 1254 CD ARG A 84 5.098 -9.663 15.548 1.00 0.00 C ATOM 1255 NE ARG A 84 4.828 -8.521 16.417 1.00 0.00 N ATOM 1256 CZ ARG A 84 3.752 -8.425 17.191 1.00 0.00 C ATOM 1257 NH1 ARG A 84 2.852 -9.398 17.205 1.00 0.00 N ATOM 1258 NH2 ARG A 84 3.576 -7.354 17.954 1.00 0.00 N ATOM 0 H ARG A 84 3.337 -12.910 12.325 1.00 0.00 H new ATOM 0 HA ARG A 84 3.305 -10.141 11.850 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.332 -11.528 14.054 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.073 -11.559 13.860 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.718 -8.912 13.573 1.00 0.00 H new ATOM 0 HG3 ARG A 84 3.270 -9.251 14.500 1.00 0.00 H new ATOM 0 HD2 ARG A 84 4.884 -10.586 16.086 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.157 -9.681 15.292 1.00 0.00 H new ATOM 0 HE ARG A 84 5.502 -7.755 16.431 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.984 -10.223 16.621 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.027 -9.321 17.800 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.267 -6.604 17.947 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.750 -7.281 18.548 1.00 0.00 H new ATOM 1272 N ALA A 85 6.066 -11.678 11.057 1.00 0.00 N ATOM 1273 CA ALA A 85 7.364 -11.520 10.412 1.00 0.00 C ATOM 1274 C ALA A 85 7.205 -11.154 8.941 1.00 0.00 C ATOM 1275 O ALA A 85 7.889 -10.263 8.437 1.00 0.00 O ATOM 1276 CB ALA A 85 8.183 -12.795 10.555 1.00 0.00 C ATOM 0 H ALA A 85 5.771 -12.647 11.180 1.00 0.00 H new ATOM 0 HA ALA A 85 7.891 -10.705 10.907 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.150 -12.663 10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.335 -13.013 11.612 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.651 -13.623 10.087 1.00 0.00 H new ATOM 1282 N GLN A 86 6.300 -11.847 8.257 1.00 0.00 N ATOM 1283 CA GLN A 86 6.054 -11.594 6.842 1.00 0.00 C ATOM 1284 C GLN A 86 5.436 -10.215 6.635 1.00 0.00 C ATOM 1285 O GLN A 86 5.985 -9.381 5.914 1.00 0.00 O ATOM 1286 CB GLN A 86 5.134 -12.670 6.263 1.00 0.00 C ATOM 1287 CG GLN A 86 5.728 -14.068 6.309 1.00 0.00 C ATOM 1288 CD GLN A 86 7.090 -14.145 5.648 1.00 0.00 C ATOM 1289 OE1 GLN A 86 7.414 -13.342 4.772 1.00 0.00 O ATOM 1290 NE2 GLN A 86 7.897 -15.114 6.064 1.00 0.00 N ATOM 0 H GLN A 86 5.725 -12.587 8.659 1.00 0.00 H new ATOM 0 HA GLN A 86 7.011 -11.625 6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.193 -12.666 6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.900 -12.418 5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.814 -14.388 7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.049 -14.764 5.816 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.588 -15.758 6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.826 -15.215 5.655 1.00 0.00 H new ATOM 1299 N CYS A 87 4.294 -9.982 7.272 1.00 0.00 N ATOM 1300 CA CYS A 87 3.601 -8.704 7.156 1.00 0.00 C ATOM 1301 C CYS A 87 4.584 -7.542 7.257 1.00 0.00 C ATOM 1302 O CYS A 87 4.399 -6.501 6.626 1.00 0.00 O ATOM 1303 CB CYS A 87 2.532 -8.580 8.242 1.00 0.00 C ATOM 1304 SG CYS A 87 3.174 -8.077 9.856 1.00 0.00 S ATOM 0 H CYS A 87 3.828 -10.661 7.874 1.00 0.00 H new ATOM 0 HA CYS A 87 3.121 -8.666 6.178 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.784 -7.856 7.919 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.024 -9.538 8.348 1.00 0.00 H new ATOM 0 HG CYS A 87 4.247 -8.759 10.128 1.00 0.00 H new ATOM 1310 N VAL A 88 5.629 -7.725 8.058 1.00 0.00 N ATOM 1311 CA VAL A 88 6.641 -6.692 8.243 1.00 0.00 C ATOM 1312 C VAL A 88 7.565 -6.606 7.034 1.00 0.00 C ATOM 1313 O VAL A 88 7.826 -5.520 6.513 1.00 0.00 O ATOM 1314 CB VAL A 88 7.486 -6.954 9.504 1.00 0.00 C ATOM 1315 CG1 VAL A 88 8.634 -5.960 9.593 1.00 0.00 C ATOM 1316 CG2 VAL A 88 6.616 -6.890 10.750 1.00 0.00 C ATOM 0 H VAL A 88 5.797 -8.579 8.589 1.00 0.00 H new ATOM 0 HA VAL A 88 6.111 -5.747 8.360 1.00 0.00 H new ATOM 0 HB VAL A 88 7.910 -7.956 9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.220 -6.160 10.490 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.271 -6.060 8.714 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.235 -4.947 9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.229 -7.077 11.632 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.162 -5.902 10.827 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.832 -7.645 10.686 1.00 0.00 H new ATOM 1326 N THR A 89 8.059 -7.757 6.590 1.00 0.00 N ATOM 1327 CA THR A 89 8.956 -7.812 5.442 1.00 0.00 C ATOM 1328 C THR A 89 8.389 -7.029 4.264 1.00 0.00 C ATOM 1329 O THR A 89 9.068 -6.180 3.686 1.00 0.00 O ATOM 1330 CB THR A 89 9.214 -9.265 5.001 1.00 0.00 C ATOM 1331 OG1 THR A 89 9.828 -9.999 6.066 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.108 -9.306 3.770 1.00 0.00 C ATOM 0 H THR A 89 7.853 -8.664 7.008 1.00 0.00 H new ATOM 0 HA THR A 89 9.898 -7.362 5.754 1.00 0.00 H new ATOM 0 HB THR A 89 8.256 -9.721 4.751 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.180 -10.130 6.789 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.276 -10.342 3.477 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.625 -8.771 2.952 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.063 -8.834 3.998 1.00 0.00 H new ATOM 1340 N VAL A 90 7.140 -7.318 3.912 1.00 0.00 N ATOM 1341 CA VAL A 90 6.481 -6.639 2.803 1.00 0.00 C ATOM 1342 C VAL A 90 6.519 -5.126 2.985 1.00 0.00 C ATOM 1343 O VAL A 90 6.988 -4.396 2.111 1.00 0.00 O ATOM 1344 CB VAL A 90 5.016 -7.091 2.659 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.363 -6.414 1.464 1.00 0.00 C ATOM 1346 CG2 VAL A 90 4.935 -8.605 2.535 1.00 0.00 C ATOM 0 H VAL A 90 6.564 -8.018 4.379 1.00 0.00 H new ATOM 0 HA VAL A 90 7.027 -6.907 1.898 1.00 0.00 H new ATOM 0 HB VAL A 90 4.473 -6.794 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.328 -6.746 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.387 -5.333 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.905 -6.677 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.892 -8.907 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.493 -8.928 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.362 -9.066 3.426 1.00 0.00 H new ATOM 1356 N LYS A 91 6.024 -4.660 4.126 1.00 0.00 N ATOM 1357 CA LYS A 91 6.002 -3.233 4.425 1.00 0.00 C ATOM 1358 C LYS A 91 7.377 -2.610 4.206 1.00 0.00 C ATOM 1359 O LYS A 91 7.529 -1.685 3.409 1.00 0.00 O ATOM 1360 CB LYS A 91 5.549 -3.000 5.868 1.00 0.00 C ATOM 1361 CG LYS A 91 5.656 -1.552 6.314 1.00 0.00 C ATOM 1362 CD LYS A 91 5.435 -1.411 7.810 1.00 0.00 C ATOM 1363 CE LYS A 91 6.194 -0.221 8.376 1.00 0.00 C ATOM 1364 NZ LYS A 91 5.939 -0.042 9.833 1.00 0.00 N ATOM 0 H LYS A 91 5.632 -5.250 4.860 1.00 0.00 H new ATOM 0 HA LYS A 91 5.294 -2.756 3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.515 -3.328 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.149 -3.621 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.639 -1.162 6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.921 -0.950 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.370 -1.294 8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.757 -2.322 8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.262 -0.359 8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.902 0.683 7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.474 0.779 10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.923 0.115 9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.241 -0.895 10.346 1.00 0.00 H new ATOM 1378 N GLU A 92 8.375 -3.125 4.918 1.00 0.00 N ATOM 1379 CA GLU A 92 9.737 -2.618 4.800 1.00 0.00 C ATOM 1380 C GLU A 92 10.077 -2.307 3.345 1.00 0.00 C ATOM 1381 O GLU A 92 10.618 -1.245 3.035 1.00 0.00 O ATOM 1382 CB GLU A 92 10.734 -3.634 5.362 1.00 0.00 C ATOM 1383 CG GLU A 92 10.917 -3.538 6.867 1.00 0.00 C ATOM 1384 CD GLU A 92 11.535 -2.222 7.296 1.00 0.00 C ATOM 1385 OE1 GLU A 92 12.683 -1.945 6.888 1.00 0.00 O ATOM 1386 OE2 GLU A 92 10.872 -1.469 8.040 1.00 0.00 O ATOM 0 H GLU A 92 8.266 -3.892 5.582 1.00 0.00 H new ATOM 0 HA GLU A 92 9.805 -1.696 5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.397 -4.639 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.699 -3.490 4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.950 -3.657 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.549 -4.359 7.206 1.00 0.00 H new ATOM 1393 N LYS A 93 9.758 -3.241 2.456 1.00 0.00 N ATOM 1394 CA LYS A 93 10.028 -3.068 1.034 1.00 0.00 C ATOM 1395 C LYS A 93 9.301 -1.844 0.486 1.00 0.00 C ATOM 1396 O LYS A 93 9.920 -0.947 -0.088 1.00 0.00 O ATOM 1397 CB LYS A 93 9.601 -4.316 0.258 1.00 0.00 C ATOM 1398 CG LYS A 93 10.345 -5.574 0.673 1.00 0.00 C ATOM 1399 CD LYS A 93 11.799 -5.533 0.233 1.00 0.00 C ATOM 1400 CE LYS A 93 12.516 -6.834 0.559 1.00 0.00 C ATOM 1401 NZ LYS A 93 13.989 -6.644 0.665 1.00 0.00 N ATOM 0 H LYS A 93 9.312 -4.126 2.695 1.00 0.00 H new ATOM 0 HA LYS A 93 11.100 -2.918 0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.532 -4.473 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.760 -4.144 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.295 -5.687 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.857 -6.446 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.851 -5.347 -0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.306 -4.703 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.133 -7.234 1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.300 -7.571 -0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.441 -7.554 0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.359 -6.286 -0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.197 -5.959 1.420 1.00 0.00 H new ATOM 1415 N LEU A 94 7.985 -1.812 0.669 1.00 0.00 N ATOM 1416 CA LEU A 94 7.174 -0.696 0.195 1.00 0.00 C ATOM 1417 C LEU A 94 7.805 0.638 0.580 1.00 0.00 C ATOM 1418 O LEU A 94 7.835 1.576 -0.218 1.00 0.00 O ATOM 1419 CB LEU A 94 5.759 -0.789 0.769 1.00 0.00 C ATOM 1420 CG LEU A 94 4.784 -1.687 0.007 1.00 0.00 C ATOM 1421 CD1 LEU A 94 4.560 -1.160 -1.401 1.00 0.00 C ATOM 1422 CD2 LEU A 94 5.298 -3.119 -0.033 1.00 0.00 C ATOM 0 H LEU A 94 7.457 -2.546 1.142 1.00 0.00 H new ATOM 0 HA LEU A 94 7.123 -0.752 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.828 -1.150 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.339 0.216 0.812 1.00 0.00 H new ATOM 0 HG LEU A 94 3.828 -1.679 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.863 -1.813 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.146 -0.153 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.509 -1.136 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.592 -3.744 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.266 -3.144 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.405 -3.496 0.984 1.00 0.00 H new ATOM 1434 N LEU A 95 8.310 0.716 1.806 1.00 0.00 N ATOM 1435 CA LEU A 95 8.943 1.935 2.297 1.00 0.00 C ATOM 1436 C LEU A 95 10.071 2.374 1.369 1.00 0.00 C ATOM 1437 O LEU A 95 10.124 3.528 0.946 1.00 0.00 O ATOM 1438 CB LEU A 95 9.485 1.717 3.711 1.00 0.00 C ATOM 1439 CG LEU A 95 8.531 2.057 4.856 1.00 0.00 C ATOM 1440 CD1 LEU A 95 8.184 3.538 4.841 1.00 0.00 C ATOM 1441 CD2 LEU A 95 7.269 1.211 4.767 1.00 0.00 C ATOM 0 H LEU A 95 8.293 -0.051 2.479 1.00 0.00 H new ATOM 0 HA LEU A 95 8.190 2.723 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.779 0.672 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.389 2.315 3.828 1.00 0.00 H new ATOM 0 HG LEU A 95 9.030 1.832 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.504 3.761 5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.095 4.126 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.704 3.790 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.601 1.466 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.767 1.405 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.534 0.155 4.828 1.00 0.00 H new ATOM 1453 N GLU A 96 10.969 1.446 1.057 1.00 0.00 N ATOM 1454 CA GLU A 96 12.095 1.738 0.177 1.00 0.00 C ATOM 1455 C GLU A 96 11.620 2.407 -1.110 1.00 0.00 C ATOM 1456 O GLU A 96 12.116 3.467 -1.489 1.00 0.00 O ATOM 1457 CB GLU A 96 12.859 0.455 -0.153 1.00 0.00 C ATOM 1458 CG GLU A 96 13.922 0.098 0.872 1.00 0.00 C ATOM 1459 CD GLU A 96 13.342 -0.552 2.113 1.00 0.00 C ATOM 1460 OE1 GLU A 96 12.784 0.179 2.958 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.445 -1.790 2.239 1.00 0.00 O ATOM 0 H GLU A 96 10.939 0.486 1.400 1.00 0.00 H new ATOM 0 HA GLU A 96 12.762 2.425 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.151 -0.370 -0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.330 0.564 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 96 14.647 -0.578 0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.463 1.000 1.158 1.00 0.00 H new ATOM 1468 N GLN A 97 10.658 1.778 -1.776 1.00 0.00 N ATOM 1469 CA GLN A 97 10.118 2.311 -3.021 1.00 0.00 C ATOM 1470 C GLN A 97 9.588 3.727 -2.823 1.00 0.00 C ATOM 1471 O GLN A 97 9.917 4.636 -3.585 1.00 0.00 O ATOM 1472 CB GLN A 97 9.002 1.406 -3.547 1.00 0.00 C ATOM 1473 CG GLN A 97 9.496 0.309 -4.477 1.00 0.00 C ATOM 1474 CD GLN A 97 10.655 -0.474 -3.893 1.00 0.00 C ATOM 1475 OE1 GLN A 97 10.613 -0.897 -2.737 1.00 0.00 O ATOM 1476 NE2 GLN A 97 11.698 -0.671 -4.690 1.00 0.00 N ATOM 0 H GLN A 97 10.237 0.899 -1.475 1.00 0.00 H new ATOM 0 HA GLN A 97 10.926 2.343 -3.752 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.487 0.950 -2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.269 2.016 -4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.675 -0.374 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.803 0.752 -5.424 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.690 -0.302 -5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.508 -1.191 -4.351 1.00 0.00 H new ATOM 1485 N ALA A 98 8.767 3.908 -1.794 1.00 0.00 N ATOM 1486 CA ALA A 98 8.193 5.214 -1.494 1.00 0.00 C ATOM 1487 C ALA A 98 9.226 6.321 -1.672 1.00 0.00 C ATOM 1488 O ALA A 98 9.064 7.204 -2.514 1.00 0.00 O ATOM 1489 CB ALA A 98 7.635 5.233 -0.079 1.00 0.00 C ATOM 0 H ALA A 98 8.484 3.166 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 98 7.379 5.396 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.210 6.214 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.859 4.473 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.436 5.025 0.631 1.00 0.00 H new ATOM 1495 N GLU A 99 10.288 6.268 -0.874 1.00 0.00 N ATOM 1496 CA GLU A 99 11.347 7.268 -0.944 1.00 0.00 C ATOM 1497 C GLU A 99 11.581 7.713 -2.385 1.00 0.00 C ATOM 1498 O GLU A 99 11.339 8.868 -2.736 1.00 0.00 O ATOM 1499 CB GLU A 99 12.644 6.713 -0.353 1.00 0.00 C ATOM 1500 CG GLU A 99 12.757 6.900 1.151 1.00 0.00 C ATOM 1501 CD GLU A 99 14.122 6.513 1.686 1.00 0.00 C ATOM 1502 OE1 GLU A 99 15.100 6.565 0.911 1.00 0.00 O ATOM 1503 OE2 GLU A 99 14.212 6.158 2.880 1.00 0.00 O ATOM 0 H GLU A 99 10.438 5.543 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 99 11.032 8.134 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.713 5.650 -0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.491 7.200 -0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.555 7.942 1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.993 6.300 1.646 1.00 0.00 H new ATOM 1510 N SER A 100 12.053 6.788 -3.214 1.00 0.00 N ATOM 1511 CA SER A 100 12.324 7.085 -4.616 1.00 0.00 C ATOM 1512 C SER A 100 11.093 7.678 -5.294 1.00 0.00 C ATOM 1513 O SER A 100 11.206 8.463 -6.236 1.00 0.00 O ATOM 1514 CB SER A 100 12.765 5.817 -5.351 1.00 0.00 C ATOM 1515 OG SER A 100 14.168 5.638 -5.263 1.00 0.00 O ATOM 0 H SER A 100 12.256 5.827 -2.940 1.00 0.00 H new ATOM 0 HA SER A 100 13.128 7.819 -4.658 1.00 0.00 H new ATOM 0 HB2 SER A 100 12.257 4.951 -4.926 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.468 5.878 -6.398 1.00 0.00 H new ATOM 0 HG SER A 100 14.424 4.820 -5.739 1.00 0.00 H new ATOM 1521 N LEU A 101 9.917 7.297 -4.808 1.00 0.00 N ATOM 1522 CA LEU A 101 8.662 7.790 -5.365 1.00 0.00 C ATOM 1523 C LEU A 101 8.184 9.030 -4.617 1.00 0.00 C ATOM 1524 O LEU A 101 6.985 9.222 -4.415 1.00 0.00 O ATOM 1525 CB LEU A 101 7.591 6.700 -5.305 1.00 0.00 C ATOM 1526 CG LEU A 101 7.704 5.589 -6.350 1.00 0.00 C ATOM 1527 CD1 LEU A 101 7.079 4.303 -5.832 1.00 0.00 C ATOM 1528 CD2 LEU A 101 7.047 6.016 -7.655 1.00 0.00 C ATOM 0 H LEU A 101 9.806 6.648 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 101 8.837 8.061 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.620 6.244 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.614 7.172 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 101 8.761 5.403 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.169 3.524 -6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.594 3.988 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.025 4.474 -5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.137 5.214 -8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.993 6.230 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.540 6.911 -8.035 1.00 0.00 H new ATOM 1540 N LEU A 102 9.129 9.871 -4.211 1.00 0.00 N ATOM 1541 CA LEU A 102 8.805 11.095 -3.487 1.00 0.00 C ATOM 1542 C LEU A 102 8.278 12.166 -4.437 1.00 0.00 C ATOM 1543 O LEU A 102 8.562 12.142 -5.635 1.00 0.00 O ATOM 1544 CB LEU A 102 10.039 11.616 -2.748 1.00 0.00 C ATOM 1545 CG LEU A 102 10.234 11.101 -1.322 1.00 0.00 C ATOM 1546 CD1 LEU A 102 11.699 11.180 -0.921 1.00 0.00 C ATOM 1547 CD2 LEU A 102 9.370 11.888 -0.348 1.00 0.00 C ATOM 0 H LEU A 102 10.126 9.727 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 102 8.025 10.863 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.923 11.357 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.986 12.704 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 102 9.925 10.056 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.818 10.809 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.296 10.572 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.035 12.216 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.522 11.508 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.648 12.941 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.321 11.780 -0.623 1.00 0.00 H new ATOM 1559 N SER A 103 7.510 13.105 -3.894 1.00 0.00 N ATOM 1560 CA SER A 103 6.941 14.184 -4.693 1.00 0.00 C ATOM 1561 C SER A 103 6.087 13.627 -5.828 1.00 0.00 C ATOM 1562 O SER A 103 6.154 14.105 -6.961 1.00 0.00 O ATOM 1563 CB SER A 103 8.054 15.066 -5.263 1.00 0.00 C ATOM 1564 OG SER A 103 7.549 16.328 -5.663 1.00 0.00 O ATOM 0 H SER A 103 7.267 13.140 -2.904 1.00 0.00 H new ATOM 0 HA SER A 103 6.305 14.787 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.833 15.203 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.516 14.569 -6.116 1.00 0.00 H new ATOM 0 HG SER A 103 6.811 16.200 -6.295 1.00 0.00 H new ATOM 1570 N GLU A 104 5.285 12.614 -5.515 1.00 0.00 N ATOM 1571 CA GLU A 104 4.419 11.991 -6.509 1.00 0.00 C ATOM 1572 C GLU A 104 3.441 11.024 -5.848 1.00 0.00 C ATOM 1573 O GLU A 104 3.708 10.460 -4.787 1.00 0.00 O ATOM 1574 CB GLU A 104 5.255 11.253 -7.557 1.00 0.00 C ATOM 1575 CG GLU A 104 5.867 9.960 -7.045 1.00 0.00 C ATOM 1576 CD GLU A 104 6.445 9.108 -8.159 1.00 0.00 C ATOM 1577 OE1 GLU A 104 5.664 8.413 -8.841 1.00 0.00 O ATOM 1578 OE2 GLU A 104 7.679 9.137 -8.347 1.00 0.00 O ATOM 0 H GLU A 104 5.217 12.208 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 104 3.848 12.779 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.627 11.032 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.052 11.911 -7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.652 10.194 -6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.107 9.388 -6.512 1.00 0.00 H new ATOM 1585 N PRO A 105 2.280 10.826 -6.490 1.00 0.00 N ATOM 1586 CA PRO A 105 1.239 9.927 -5.984 1.00 0.00 C ATOM 1587 C PRO A 105 1.647 8.461 -6.069 1.00 0.00 C ATOM 1588 O PRO A 105 1.395 7.793 -7.071 1.00 0.00 O ATOM 1589 CB PRO A 105 0.050 10.205 -6.908 1.00 0.00 C ATOM 1590 CG PRO A 105 0.661 10.709 -8.170 1.00 0.00 C ATOM 1591 CD PRO A 105 1.895 11.465 -7.760 1.00 0.00 C ATOM 0 HA PRO A 105 1.027 10.102 -4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.534 9.302 -7.084 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.625 10.942 -6.473 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.912 9.885 -8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.032 11.356 -8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.684 11.382 -8.507 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.690 12.528 -7.629 1.00 0.00 H new ATOM 1599 N MET A 106 2.279 7.965 -5.010 1.00 0.00 N ATOM 1600 CA MET A 106 2.721 6.576 -4.965 1.00 0.00 C ATOM 1601 C MET A 106 1.619 5.672 -4.422 1.00 0.00 C ATOM 1602 O MET A 106 1.428 4.554 -4.900 1.00 0.00 O ATOM 1603 CB MET A 106 3.976 6.446 -4.099 1.00 0.00 C ATOM 1604 CG MET A 106 3.871 7.164 -2.764 1.00 0.00 C ATOM 1605 SD MET A 106 5.295 6.864 -1.699 1.00 0.00 S ATOM 1606 CE MET A 106 6.181 8.411 -1.874 1.00 0.00 C ATOM 0 H MET A 106 2.496 8.504 -4.172 1.00 0.00 H new ATOM 0 HA MET A 106 2.956 6.262 -5.982 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.175 5.390 -3.919 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.830 6.842 -4.649 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.773 8.235 -2.939 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.965 6.840 -2.252 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.145 8.227 -2.349 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.598 9.096 -2.489 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.340 8.853 -0.890 1.00 0.00 H new ATOM 1616 N VAL A 107 0.896 6.164 -3.421 1.00 0.00 N ATOM 1617 CA VAL A 107 -0.188 5.401 -2.814 1.00 0.00 C ATOM 1618 C VAL A 107 -0.848 4.478 -3.832 1.00 0.00 C ATOM 1619 O VAL A 107 -0.835 3.256 -3.679 1.00 0.00 O ATOM 1620 CB VAL A 107 -1.258 6.329 -2.209 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -2.392 5.514 -1.604 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.638 7.250 -1.169 1.00 0.00 C ATOM 0 H VAL A 107 1.041 7.088 -3.013 1.00 0.00 H new ATOM 0 HA VAL A 107 0.254 4.802 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.672 6.946 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.138 6.187 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.853 4.901 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.998 4.870 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.408 7.899 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.196 6.653 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.135 7.859 -1.637 1.00 0.00 H new ATOM 1632 N HIS A 108 -1.424 5.071 -4.873 1.00 0.00 N ATOM 1633 CA HIS A 108 -2.089 4.301 -5.919 1.00 0.00 C ATOM 1634 C HIS A 108 -1.116 3.333 -6.583 1.00 0.00 C ATOM 1635 O HIS A 108 -1.450 2.174 -6.829 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.689 5.239 -6.967 1.00 0.00 C ATOM 1637 CG HIS A 108 -3.286 4.523 -8.140 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -2.934 4.792 -9.445 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -4.216 3.540 -8.198 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -3.622 4.008 -10.256 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -4.407 3.238 -9.523 1.00 0.00 N ATOM 0 H HIS A 108 -1.444 6.081 -5.015 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.890 3.723 -5.458 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -3.458 5.852 -6.496 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.913 5.917 -7.322 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -2.249 5.488 -9.739 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -4.714 3.080 -7.358 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.554 3.998 -11.334 1.00 0.00 H new ATOM 1650 N GLU A 109 0.089 3.816 -6.872 1.00 0.00 N ATOM 1651 CA GLU A 109 1.109 2.993 -7.509 1.00 0.00 C ATOM 1652 C GLU A 109 1.504 1.824 -6.611 1.00 0.00 C ATOM 1653 O GLU A 109 1.227 0.665 -6.923 1.00 0.00 O ATOM 1654 CB GLU A 109 2.343 3.835 -7.841 1.00 0.00 C ATOM 1655 CG GLU A 109 2.166 4.719 -9.064 1.00 0.00 C ATOM 1656 CD GLU A 109 1.462 4.005 -10.202 1.00 0.00 C ATOM 1657 OE1 GLU A 109 2.124 3.216 -10.908 1.00 0.00 O ATOM 1658 OE2 GLU A 109 0.249 4.235 -10.386 1.00 0.00 O ATOM 0 H GLU A 109 0.382 4.773 -6.675 1.00 0.00 H new ATOM 0 HA GLU A 109 0.691 2.594 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.587 4.461 -6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.192 3.171 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.595 5.605 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.143 5.062 -9.404 1.00 0.00 H new ATOM 1665 N LEU A 110 2.154 2.137 -5.496 1.00 0.00 N ATOM 1666 CA LEU A 110 2.589 1.113 -4.551 1.00 0.00 C ATOM 1667 C LEU A 110 1.596 -0.044 -4.507 1.00 0.00 C ATOM 1668 O LEU A 110 1.984 -1.211 -4.554 1.00 0.00 O ATOM 1669 CB LEU A 110 2.750 1.716 -3.154 1.00 0.00 C ATOM 1670 CG LEU A 110 3.828 2.790 -3.007 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.561 3.650 -1.781 1.00 0.00 C ATOM 1672 CD2 LEU A 110 5.208 2.154 -2.925 1.00 0.00 C ATOM 0 H LEU A 110 2.392 3.091 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 110 3.552 0.728 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.794 2.145 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.971 0.909 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 110 3.798 3.431 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.338 4.409 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.590 4.135 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.563 3.023 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.962 2.934 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.252 1.489 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.400 1.583 -3.833 1.00 0.00 H new ATOM 1684 N VAL A 111 0.311 0.288 -4.418 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.738 -0.723 -4.370 1.00 0.00 C ATOM 1686 C VAL A 111 -0.612 -1.701 -5.533 1.00 0.00 C ATOM 1687 O VAL A 111 -0.580 -2.916 -5.336 1.00 0.00 O ATOM 1688 CB VAL A 111 -2.138 -0.081 -4.404 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -3.217 -1.152 -4.388 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -2.311 0.880 -3.237 1.00 0.00 C ATOM 0 H VAL A 111 -0.028 1.249 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.616 -1.262 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.237 0.486 -5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.199 -0.680 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.103 -1.797 -5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.124 -1.749 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.305 1.325 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.193 0.338 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.559 1.667 -3.299 1.00 0.00 H new ATOM 1700 N LEU A 112 -0.540 -1.163 -6.746 1.00 0.00 N ATOM 1701 CA LEU A 112 -0.416 -1.988 -7.942 1.00 0.00 C ATOM 1702 C LEU A 112 0.961 -2.639 -8.015 1.00 0.00 C ATOM 1703 O LEU A 112 1.096 -3.783 -8.449 1.00 0.00 O ATOM 1704 CB LEU A 112 -0.661 -1.145 -9.195 1.00 0.00 C ATOM 1705 CG LEU A 112 -2.030 -0.472 -9.294 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -1.941 0.800 -10.124 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -3.053 -1.429 -9.889 1.00 0.00 C ATOM 0 H LEU A 112 -0.565 -0.159 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.167 -2.776 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.106 -0.372 -9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.528 -1.782 -10.069 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.355 -0.203 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.925 1.265 -10.183 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.240 1.491 -9.656 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.594 0.556 -11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.022 -0.933 -9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.733 -1.729 -10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.138 -2.311 -9.255 1.00 0.00 H new ATOM 1719 N TRP A 113 1.980 -1.904 -7.585 1.00 0.00 N ATOM 1720 CA TRP A 113 3.348 -2.411 -7.600 1.00 0.00 C ATOM 1721 C TRP A 113 3.443 -3.741 -6.859 1.00 0.00 C ATOM 1722 O TRP A 113 3.889 -4.742 -7.419 1.00 0.00 O ATOM 1723 CB TRP A 113 4.298 -1.392 -6.969 1.00 0.00 C ATOM 1724 CG TRP A 113 5.707 -1.889 -6.848 1.00 0.00 C ATOM 1725 CD1 TRP A 113 6.651 -1.923 -7.834 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.329 -2.425 -5.675 1.00 0.00 C ATOM 1727 NE1 TRP A 113 7.823 -2.448 -7.344 1.00 0.00 N ATOM 1728 CE2 TRP A 113 7.652 -2.762 -6.022 1.00 0.00 C ATOM 1729 CE3 TRP A 113 5.899 -2.650 -4.365 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 8.544 -3.314 -5.106 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 6.785 -3.197 -3.457 1.00 0.00 C ATOM 1732 CH2 TRP A 113 8.096 -3.523 -3.831 1.00 0.00 C ATOM 0 H TRP A 113 1.885 -0.956 -7.222 1.00 0.00 H new ATOM 0 HA TRP A 113 3.638 -2.573 -8.638 1.00 0.00 H new ATOM 0 HB2 TRP A 113 4.292 -0.481 -7.567 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.928 -1.126 -5.979 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.499 -1.587 -8.849 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.681 -2.582 -7.879 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.891 -2.401 -4.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 9.554 -3.568 -5.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 6.462 -3.376 -2.442 1.00 0.00 H new ATOM 0 HH2 TRP A 113 8.766 -3.948 -3.098 1.00 0.00 H new ATOM 1743 N ILE A 114 3.022 -3.742 -5.599 1.00 0.00 N ATOM 1744 CA ILE A 114 3.059 -4.950 -4.783 1.00 0.00 C ATOM 1745 C ILE A 114 2.048 -5.979 -5.278 1.00 0.00 C ATOM 1746 O ILE A 114 2.316 -7.180 -5.269 1.00 0.00 O ATOM 1747 CB ILE A 114 2.775 -4.638 -3.302 1.00 0.00 C ATOM 1748 CG1 ILE A 114 2.863 -5.914 -2.463 1.00 0.00 C ATOM 1749 CG2 ILE A 114 1.406 -3.991 -3.151 1.00 0.00 C ATOM 1750 CD1 ILE A 114 4.273 -6.438 -2.307 1.00 0.00 C ATOM 0 H ILE A 114 2.652 -2.921 -5.121 1.00 0.00 H new ATOM 0 HA ILE A 114 4.065 -5.361 -4.872 1.00 0.00 H new ATOM 0 HB ILE A 114 3.528 -3.937 -2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.445 -5.719 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.246 -6.686 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.219 -3.776 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.377 -3.063 -3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.639 -4.670 -3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.260 -7.344 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.688 -6.665 -3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.890 -5.684 -1.818 1.00 0.00 H new ATOM 1762 N GLN A 115 0.886 -5.499 -5.709 1.00 0.00 N ATOM 1763 CA GLN A 115 -0.165 -6.377 -6.209 1.00 0.00 C ATOM 1764 C GLN A 115 0.403 -7.406 -7.181 1.00 0.00 C ATOM 1765 O GLN A 115 -0.014 -8.564 -7.185 1.00 0.00 O ATOM 1766 CB GLN A 115 -1.259 -5.559 -6.895 1.00 0.00 C ATOM 1767 CG GLN A 115 -2.389 -5.151 -5.963 1.00 0.00 C ATOM 1768 CD GLN A 115 -3.425 -4.282 -6.648 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -3.475 -4.205 -7.876 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -4.261 -3.621 -5.855 1.00 0.00 N ATOM 0 H GLN A 115 0.649 -4.507 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.597 -6.906 -5.359 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.814 -4.663 -7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.672 -6.139 -7.720 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.873 -6.046 -5.571 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.975 -4.613 -5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.184 -3.714 -4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -4.980 -3.021 -6.259 1.00 0.00 H new ATOM 1779 N GLN A 116 1.354 -6.975 -8.003 1.00 0.00 N ATOM 1780 CA GLN A 116 1.977 -7.860 -8.980 1.00 0.00 C ATOM 1781 C GLN A 116 3.378 -8.264 -8.533 1.00 0.00 C ATOM 1782 O GLN A 116 3.717 -9.447 -8.516 1.00 0.00 O ATOM 1783 CB GLN A 116 2.043 -7.178 -10.348 1.00 0.00 C ATOM 1784 CG GLN A 116 0.778 -7.349 -11.174 1.00 0.00 C ATOM 1785 CD GLN A 116 1.038 -7.254 -12.665 1.00 0.00 C ATOM 1786 OE1 GLN A 116 2.005 -6.628 -13.099 1.00 0.00 O ATOM 1787 NE2 GLN A 116 0.173 -7.877 -13.457 1.00 0.00 N ATOM 0 H GLN A 116 1.710 -6.019 -8.012 1.00 0.00 H new ATOM 0 HA GLN A 116 1.367 -8.760 -9.059 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.233 -6.114 -10.206 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.888 -7.581 -10.905 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.329 -8.316 -10.948 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.054 -6.586 -10.886 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.614 -8.384 -13.053 1.00 0.00 H new ATOM 0 HE22 GLN A 116 0.296 -7.848 -14.469 1.00 0.00 H new ATOM 1796 N ASN A 117 4.188 -7.274 -8.173 1.00 0.00 N ATOM 1797 CA ASN A 117 5.553 -7.527 -7.726 1.00 0.00 C ATOM 1798 C ASN A 117 5.570 -8.035 -6.288 1.00 0.00 C ATOM 1799 O ASN A 117 6.350 -7.563 -5.460 1.00 0.00 O ATOM 1800 CB ASN A 117 6.393 -6.253 -7.839 1.00 0.00 C ATOM 1801 CG ASN A 117 6.469 -5.735 -9.262 1.00 0.00 C ATOM 1802 OD1 ASN A 117 7.339 -6.136 -10.036 1.00 0.00 O ATOM 1803 ND2 ASN A 117 5.555 -4.838 -9.614 1.00 0.00 N ATOM 0 H ASN A 117 3.923 -6.289 -8.182 1.00 0.00 H new ATOM 0 HA ASN A 117 5.982 -8.296 -8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.967 -5.482 -7.197 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.400 -6.452 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 117 5.556 -4.453 -10.559 1.00 0.00 H new ATOM 0 HD22 ASN A 117 4.852 -4.534 -8.940 1.00 0.00 H new ATOM 1810 N LEU A 118 4.704 -8.999 -5.997 1.00 0.00 N ATOM 1811 CA LEU A 118 4.619 -9.573 -4.658 1.00 0.00 C ATOM 1812 C LEU A 118 5.601 -10.729 -4.497 1.00 0.00 C ATOM 1813 O LEU A 118 6.348 -10.790 -3.521 1.00 0.00 O ATOM 1814 CB LEU A 118 3.195 -10.055 -4.378 1.00 0.00 C ATOM 1815 CG LEU A 118 2.855 -10.330 -2.913 1.00 0.00 C ATOM 1816 CD1 LEU A 118 1.356 -10.214 -2.682 1.00 0.00 C ATOM 1817 CD2 LEU A 118 3.355 -11.705 -2.497 1.00 0.00 C ATOM 0 H LEU A 118 4.051 -9.400 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 118 4.881 -8.796 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.499 -9.307 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.024 -10.968 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 118 3.356 -9.582 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.133 -10.413 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.025 -9.208 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.834 -10.938 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.104 -11.883 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.884 -12.467 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 118 4.437 -11.752 -2.623 1.00 0.00 H new ATOM 1829 N ARG A 119 5.594 -11.642 -5.463 1.00 0.00 N ATOM 1830 CA ARG A 119 6.485 -12.796 -5.429 1.00 0.00 C ATOM 1831 C ARG A 119 7.935 -12.358 -5.248 1.00 0.00 C ATOM 1832 O ARG A 119 8.749 -13.087 -4.680 1.00 0.00 O ATOM 1833 CB ARG A 119 6.344 -13.614 -6.714 1.00 0.00 C ATOM 1834 CG ARG A 119 6.696 -12.837 -7.972 1.00 0.00 C ATOM 1835 CD ARG A 119 5.479 -12.134 -8.552 1.00 0.00 C ATOM 1836 NE ARG A 119 5.619 -11.889 -9.985 1.00 0.00 N ATOM 1837 CZ ARG A 119 4.594 -11.643 -10.792 1.00 0.00 C ATOM 1838 NH1 ARG A 119 3.359 -11.610 -10.310 1.00 0.00 N ATOM 1839 NH2 ARG A 119 4.802 -11.430 -12.085 1.00 0.00 N ATOM 0 H ARG A 119 4.982 -11.605 -6.278 1.00 0.00 H new ATOM 0 HA ARG A 119 6.203 -13.417 -4.579 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.986 -14.492 -6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.318 -13.974 -6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.467 -12.102 -7.743 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.114 -13.516 -8.715 1.00 0.00 H new ATOM 0 HD2 ARG A 119 4.591 -12.740 -8.373 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.328 -11.186 -8.035 1.00 0.00 H new ATOM 0 HE ARG A 119 6.556 -11.908 -10.388 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.195 -11.774 -9.317 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.573 -11.421 -10.933 1.00 0.00 H new ATOM 0 HH21 ARG A 119 5.750 -11.455 -12.460 1.00 0.00 H new ATOM 0 HH22 ARG A 119 4.014 -11.241 -12.704 1.00 0.00 H new ATOM 1853 N HIS A 120 8.252 -11.163 -5.736 1.00 0.00 N ATOM 1854 CA HIS A 120 9.605 -10.628 -5.628 1.00 0.00 C ATOM 1855 C HIS A 120 9.948 -10.305 -4.177 1.00 0.00 C ATOM 1856 O HIS A 120 11.086 -10.486 -3.744 1.00 0.00 O ATOM 1857 CB HIS A 120 9.749 -9.372 -6.489 1.00 0.00 C ATOM 1858 CG HIS A 120 11.074 -8.690 -6.336 1.00 0.00 C ATOM 1859 ND1 HIS A 120 12.275 -9.366 -6.356 1.00 0.00 N ATOM 1860 CD2 HIS A 120 11.381 -7.383 -6.161 1.00 0.00 C ATOM 1861 CE1 HIS A 120 13.265 -8.505 -6.198 1.00 0.00 C ATOM 1862 NE2 HIS A 120 12.749 -7.295 -6.078 1.00 0.00 N ATOM 0 H HIS A 120 7.591 -10.547 -6.210 1.00 0.00 H new ATOM 0 HA HIS A 120 10.299 -11.388 -5.986 1.00 0.00 H new ATOM 0 HB2 HIS A 120 9.607 -9.641 -7.536 1.00 0.00 H new ATOM 0 HB3 HIS A 120 8.956 -8.670 -6.229 1.00 0.00 H new ATOM 0 HD2 HIS A 120 10.681 -6.563 -6.098 1.00 0.00 H new ATOM 0 HE1 HIS A 120 14.317 -8.749 -6.172 1.00 0.00 H new ATOM 0 HE2 HIS A 120 13.281 -6.435 -5.945 1.00 0.00 H new ATOM 1871 N ILE A 121 8.957 -9.828 -3.432 1.00 0.00 N ATOM 1872 CA ILE A 121 9.154 -9.482 -2.030 1.00 0.00 C ATOM 1873 C ILE A 121 9.840 -10.615 -1.275 1.00 0.00 C ATOM 1874 O ILE A 121 10.888 -10.420 -0.658 1.00 0.00 O ATOM 1875 CB ILE A 121 7.818 -9.153 -1.337 1.00 0.00 C ATOM 1876 CG1 ILE A 121 7.089 -8.040 -2.091 1.00 0.00 C ATOM 1877 CG2 ILE A 121 8.057 -8.752 0.111 1.00 0.00 C ATOM 1878 CD1 ILE A 121 7.788 -6.700 -2.016 1.00 0.00 C ATOM 0 H ILE A 121 8.009 -9.672 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 121 9.791 -8.598 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 121 7.191 -10.044 -1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.985 -8.328 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 121 6.082 -7.938 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 121 7.104 -8.523 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.539 -9.573 0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 121 8.700 -7.872 0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 121 7.215 -5.959 -2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.868 -6.389 -0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 121 8.786 -6.785 -2.447 1.00 0.00 H new ATOM 1890 N LEU A 122 9.243 -11.801 -1.328 1.00 0.00 N ATOM 1891 CA LEU A 122 9.797 -12.968 -0.651 1.00 0.00 C ATOM 1892 C LEU A 122 10.827 -13.670 -1.530 1.00 0.00 C ATOM 1893 O LEU A 122 10.889 -14.898 -1.570 1.00 0.00 O ATOM 1894 CB LEU A 122 8.679 -13.943 -0.277 1.00 0.00 C ATOM 1895 CG LEU A 122 7.981 -13.685 1.058 1.00 0.00 C ATOM 1896 CD1 LEU A 122 8.908 -14.014 2.218 1.00 0.00 C ATOM 1897 CD2 LEU A 122 7.510 -12.240 1.143 1.00 0.00 C ATOM 0 H LEU A 122 8.375 -11.979 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 122 10.294 -12.628 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 122 7.928 -13.923 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.094 -14.951 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 122 7.109 -14.335 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.394 -13.824 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.196 -15.064 2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.800 -13.390 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.015 -12.074 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.367 -11.572 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 122 6.810 -12.037 0.333 1.00 0.00 H new