USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 672 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 67 THR OG1 : rot -111:sc= 0.914 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0.941 USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0.407 USER MOD Set 2.2: A 70 GLN : amide:sc= 0.435 X(o=0.84,f=0.88) USER MOD Set 3.1: A 26 LYS NZ :NH3+ 156:sc= 0.654 (180deg=0.303) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -114:sc= 0.214 (180deg=0.123) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 32 HIS : no HE2:sc= -4.91! C(o=-4.9!,f=-3.7!) USER MOD Single : A 37 THR OG1 : rot 24:sc= 0.493 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -160:sc= -0.119 (180deg=-0.8) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -152:sc= -0.0819 (180deg=-0.854) USER MOD Single : A 77 THR OG1 : rot 79:sc= 0.673 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 147:sc= 1.39 (180deg=1.09) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 125:sc= 0.515 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.015) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 9 11.408 6.596 4.549 1.00 0.00 N ATOM 129 CA ALA A 9 11.485 7.004 3.113 1.00 0.00 C ATOM 130 C ALA A 9 11.354 5.766 2.218 1.00 0.00 C ATOM 131 O ALA A 9 10.683 5.794 1.204 1.00 0.00 O ATOM 132 CB ALA A 9 12.860 7.653 2.944 1.00 0.00 C ATOM 0 HA ALA A 9 10.687 7.692 2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.985 7.977 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.940 8.515 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.637 6.930 3.194 1.00 0.00 H new ATOM 138 N VAL A 10 11.975 4.674 2.601 1.00 0.00 N ATOM 139 CA VAL A 10 11.871 3.423 1.791 1.00 0.00 C ATOM 140 C VAL A 10 10.410 2.959 1.769 1.00 0.00 C ATOM 141 O VAL A 10 9.894 2.555 0.743 1.00 0.00 O ATOM 142 CB VAL A 10 12.765 2.396 2.503 1.00 0.00 C ATOM 143 CG1 VAL A 10 12.636 1.032 1.822 1.00 0.00 C ATOM 144 CG2 VAL A 10 14.227 2.851 2.438 1.00 0.00 C ATOM 0 H VAL A 10 12.549 4.598 3.441 1.00 0.00 H new ATOM 0 HA VAL A 10 12.186 3.562 0.757 1.00 0.00 H new ATOM 0 HB VAL A 10 12.450 2.315 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.273 0.309 2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.599 0.699 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.944 1.115 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.858 2.120 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.535 2.937 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 10 14.329 3.819 2.928 1.00 0.00 H new ATOM 154 N ALA A 11 9.738 3.038 2.893 1.00 0.00 N ATOM 155 CA ALA A 11 8.304 2.626 2.947 1.00 0.00 C ATOM 156 C ALA A 11 7.467 3.538 2.044 1.00 0.00 C ATOM 157 O ALA A 11 6.570 3.087 1.355 1.00 0.00 O ATOM 158 CB ALA A 11 7.893 2.791 4.413 1.00 0.00 C ATOM 0 H ALA A 11 10.124 3.371 3.776 1.00 0.00 H new ATOM 0 HA ALA A 11 8.152 1.604 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.848 2.506 4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.516 2.153 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.022 3.831 4.712 1.00 0.00 H new ATOM 164 N ALA A 12 7.763 4.817 2.035 1.00 0.00 N ATOM 165 CA ALA A 12 6.998 5.760 1.166 1.00 0.00 C ATOM 166 C ALA A 12 7.215 5.399 -0.307 1.00 0.00 C ATOM 167 O ALA A 12 6.292 5.422 -1.100 1.00 0.00 O ATOM 168 CB ALA A 12 7.561 7.151 1.475 1.00 0.00 C ATOM 0 H ALA A 12 8.502 5.246 2.593 1.00 0.00 H new ATOM 0 HA ALA A 12 5.925 5.717 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.043 7.896 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.415 7.376 2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.626 7.172 1.244 1.00 0.00 H new ATOM 174 N ALA A 13 8.427 5.048 -0.674 1.00 0.00 N ATOM 175 CA ALA A 13 8.702 4.663 -2.091 1.00 0.00 C ATOM 176 C ALA A 13 7.908 3.402 -2.446 1.00 0.00 C ATOM 177 O ALA A 13 7.347 3.295 -3.522 1.00 0.00 O ATOM 178 CB ALA A 13 10.208 4.392 -2.153 1.00 0.00 C ATOM 0 H ALA A 13 9.234 5.013 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 13 8.408 5.439 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.484 4.103 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.752 5.294 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.461 3.586 -1.464 1.00 0.00 H new ATOM 184 N VAL A 14 7.842 2.454 -1.538 1.00 0.00 N ATOM 185 CA VAL A 14 7.066 1.205 -1.810 1.00 0.00 C ATOM 186 C VAL A 14 5.592 1.565 -2.035 1.00 0.00 C ATOM 187 O VAL A 14 4.950 1.057 -2.937 1.00 0.00 O ATOM 188 CB VAL A 14 7.238 0.331 -0.557 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.433 -0.964 -0.710 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.719 -0.020 -0.372 1.00 0.00 C ATOM 0 H VAL A 14 8.292 2.494 -0.623 1.00 0.00 H new ATOM 0 HA VAL A 14 7.412 0.680 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 14 6.879 0.884 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.559 -1.578 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.378 -0.723 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.789 -1.513 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.838 -0.640 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.075 -0.566 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.298 0.896 -0.256 1.00 0.00 H new ATOM 200 N ALA A 15 5.062 2.459 -1.231 1.00 0.00 N ATOM 201 CA ALA A 15 3.638 2.881 -1.401 1.00 0.00 C ATOM 202 C ALA A 15 3.464 3.571 -2.763 1.00 0.00 C ATOM 203 O ALA A 15 2.482 3.364 -3.452 1.00 0.00 O ATOM 204 CB ALA A 15 3.369 3.865 -0.260 1.00 0.00 C ATOM 0 H ALA A 15 5.557 2.914 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 15 2.947 2.038 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.340 4.219 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.526 3.365 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.049 4.713 -0.343 1.00 0.00 H new ATOM 210 N SER A 16 4.423 4.378 -3.156 1.00 0.00 N ATOM 211 CA SER A 16 4.334 5.073 -4.477 1.00 0.00 C ATOM 212 C SER A 16 4.285 4.039 -5.605 1.00 0.00 C ATOM 213 O SER A 16 3.559 4.201 -6.570 1.00 0.00 O ATOM 214 CB SER A 16 5.604 5.922 -4.579 1.00 0.00 C ATOM 215 OG SER A 16 5.417 6.939 -5.557 1.00 0.00 O ATOM 0 H SER A 16 5.264 4.584 -2.616 1.00 0.00 H new ATOM 0 HA SER A 16 3.437 5.686 -4.561 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.834 6.370 -3.612 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.453 5.294 -4.849 1.00 0.00 H new ATOM 0 HG SER A 16 6.229 7.484 -5.622 1.00 0.00 H new ATOM 221 N LYS A 17 5.041 2.971 -5.490 1.00 0.00 N ATOM 222 CA LYS A 17 5.015 1.929 -6.557 1.00 0.00 C ATOM 223 C LYS A 17 3.643 1.243 -6.573 1.00 0.00 C ATOM 224 O LYS A 17 3.136 0.906 -7.619 1.00 0.00 O ATOM 225 CB LYS A 17 6.122 0.928 -6.204 1.00 0.00 C ATOM 226 CG LYS A 17 6.719 0.364 -7.498 1.00 0.00 C ATOM 227 CD LYS A 17 7.867 1.264 -7.971 1.00 0.00 C ATOM 228 CE LYS A 17 7.929 1.261 -9.503 1.00 0.00 C ATOM 229 NZ LYS A 17 7.536 2.641 -9.916 1.00 0.00 N ATOM 0 H LYS A 17 5.669 2.780 -4.709 1.00 0.00 H new ATOM 0 HA LYS A 17 5.179 2.354 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.897 1.417 -5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.718 0.121 -5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.084 -0.649 -7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.950 0.303 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.719 2.280 -7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.812 0.911 -7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.931 1.015 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.252 0.517 -9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.556 2.712 -10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.575 2.845 -9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.202 3.328 -9.509 1.00 0.00 H new ATOM 243 N ILE A 18 3.037 1.049 -5.423 1.00 0.00 N ATOM 244 CA ILE A 18 1.688 0.395 -5.378 1.00 0.00 C ATOM 245 C ILE A 18 0.678 1.194 -6.214 1.00 0.00 C ATOM 246 O ILE A 18 -0.121 0.626 -6.931 1.00 0.00 O ATOM 247 CB ILE A 18 1.271 0.397 -3.897 1.00 0.00 C ATOM 248 CG1 ILE A 18 2.119 -0.614 -3.114 1.00 0.00 C ATOM 249 CG2 ILE A 18 -0.210 0.022 -3.772 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.793 -2.040 -3.572 1.00 0.00 C ATOM 0 H ILE A 18 3.418 1.315 -4.515 1.00 0.00 H new ATOM 0 HA ILE A 18 1.719 -0.615 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 18 1.428 1.395 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.178 -0.408 -3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.925 -0.513 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.499 0.025 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.816 0.746 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.370 -0.972 -4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.400 -2.750 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.737 -2.246 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.010 -2.139 -4.636 1.00 0.00 H new ATOM 262 N VAL A 19 0.708 2.501 -6.127 1.00 0.00 N ATOM 263 CA VAL A 19 -0.258 3.326 -6.917 1.00 0.00 C ATOM 264 C VAL A 19 0.019 3.168 -8.421 1.00 0.00 C ATOM 265 O VAL A 19 -0.890 2.975 -9.206 1.00 0.00 O ATOM 266 CB VAL A 19 -0.034 4.779 -6.462 1.00 0.00 C ATOM 267 CG1 VAL A 19 -0.797 5.736 -7.384 1.00 0.00 C ATOM 268 CG2 VAL A 19 -0.550 4.953 -5.028 1.00 0.00 C ATOM 0 H VAL A 19 1.357 3.031 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.291 3.018 -6.753 1.00 0.00 H new ATOM 0 HB VAL A 19 1.032 5.003 -6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.635 6.763 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.438 5.620 -8.407 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.862 5.507 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.391 5.982 -4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.615 4.723 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.011 4.278 -4.363 1.00 0.00 H new ATOM 278 N GLY A 20 1.264 3.245 -8.825 1.00 0.00 N ATOM 279 CA GLY A 20 1.597 3.099 -10.281 1.00 0.00 C ATOM 280 C GLY A 20 1.598 1.614 -10.703 1.00 0.00 C ATOM 281 O GLY A 20 1.574 1.305 -11.878 1.00 0.00 O ATOM 0 H GLY A 20 2.064 3.402 -8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.872 3.650 -10.880 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.575 3.538 -10.480 1.00 0.00 H new ATOM 285 N LEU A 21 1.640 0.700 -9.762 1.00 0.00 N ATOM 286 CA LEU A 21 1.660 -0.758 -10.110 1.00 0.00 C ATOM 287 C LEU A 21 0.258 -1.382 -9.984 1.00 0.00 C ATOM 288 O LEU A 21 -0.018 -2.416 -10.561 1.00 0.00 O ATOM 289 CB LEU A 21 2.620 -1.375 -9.086 1.00 0.00 C ATOM 290 CG LEU A 21 2.840 -2.861 -9.377 1.00 0.00 C ATOM 291 CD1 LEU A 21 3.838 -3.019 -10.528 1.00 0.00 C ATOM 292 CD2 LEU A 21 3.398 -3.538 -8.120 1.00 0.00 C ATOM 0 H LEU A 21 1.661 0.902 -8.762 1.00 0.00 H new ATOM 0 HA LEU A 21 1.972 -0.931 -11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.574 -0.849 -9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.216 -1.252 -8.081 1.00 0.00 H new ATOM 0 HG LEU A 21 1.894 -3.324 -9.658 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.993 -4.078 -10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.445 -2.531 -11.420 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.788 -2.561 -10.252 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.558 -4.598 -8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.345 -3.073 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.688 -3.425 -7.300 1.00 0.00 H new ATOM 304 N TRP A 22 -0.623 -0.774 -9.225 1.00 0.00 N ATOM 305 CA TRP A 22 -1.993 -1.341 -9.050 1.00 0.00 C ATOM 306 C TRP A 22 -2.777 -1.316 -10.370 1.00 0.00 C ATOM 307 O TRP A 22 -2.863 -0.307 -11.043 1.00 0.00 O ATOM 308 CB TRP A 22 -2.664 -0.444 -8.003 1.00 0.00 C ATOM 309 CG TRP A 22 -4.115 -0.790 -7.884 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.613 -2.046 -7.781 1.00 0.00 C ATOM 311 CD2 TRP A 22 -5.262 0.107 -7.855 1.00 0.00 C ATOM 312 NE1 TRP A 22 -5.990 -1.973 -7.691 1.00 0.00 N ATOM 313 CE2 TRP A 22 -6.439 -0.668 -7.732 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.395 1.506 -7.922 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -7.703 -0.079 -7.679 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -6.664 2.103 -7.868 1.00 0.00 C ATOM 317 CH2 TRP A 22 -7.815 1.312 -7.747 1.00 0.00 C ATOM 0 H TRP A 22 -0.449 0.094 -8.718 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.960 -2.385 -8.737 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.172 -0.568 -7.038 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.554 0.603 -8.285 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.030 -2.955 -7.771 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.601 -2.785 -7.605 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.515 2.125 -8.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.587 -0.693 -7.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.754 3.178 -7.920 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.788 1.778 -7.706 1.00 0.00 H new ATOM 328 N ARG A 23 -3.369 -2.430 -10.717 1.00 0.00 N ATOM 329 CA ARG A 23 -4.183 -2.517 -11.964 1.00 0.00 C ATOM 330 C ARG A 23 -5.668 -2.384 -11.595 1.00 0.00 C ATOM 331 O ARG A 23 -5.995 -1.900 -10.530 1.00 0.00 O ATOM 332 CB ARG A 23 -3.861 -3.910 -12.531 1.00 0.00 C ATOM 333 CG ARG A 23 -4.029 -3.904 -14.054 1.00 0.00 C ATOM 334 CD ARG A 23 -3.024 -4.870 -14.688 1.00 0.00 C ATOM 335 NE ARG A 23 -2.734 -4.301 -16.037 1.00 0.00 N ATOM 336 CZ ARG A 23 -3.595 -4.448 -17.011 1.00 0.00 C ATOM 337 NH1 ARG A 23 -4.574 -3.591 -17.151 1.00 0.00 N ATOM 338 NH2 ARG A 23 -3.473 -5.450 -17.843 1.00 0.00 N ATOM 0 H ARG A 23 -3.321 -3.296 -10.180 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.965 -1.735 -12.691 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.841 -4.192 -12.270 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.521 -4.655 -12.086 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.045 -4.196 -14.319 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.875 -2.897 -14.443 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.117 -4.944 -14.088 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.438 -5.875 -14.765 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.863 -3.796 -16.200 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.665 -2.810 -16.501 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.246 -3.704 -17.910 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.708 -6.115 -17.732 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.143 -5.566 -18.603 1.00 0.00 H new ATOM 352 N ASN A 24 -6.566 -2.802 -12.455 1.00 0.00 N ATOM 353 CA ASN A 24 -8.028 -2.696 -12.133 1.00 0.00 C ATOM 354 C ASN A 24 -8.303 -3.250 -10.726 1.00 0.00 C ATOM 355 O ASN A 24 -8.995 -2.634 -9.935 1.00 0.00 O ATOM 356 CB ASN A 24 -8.740 -3.543 -13.198 1.00 0.00 C ATOM 357 CG ASN A 24 -9.308 -2.634 -14.295 1.00 0.00 C ATOM 358 OD1 ASN A 24 -10.459 -2.761 -14.665 1.00 0.00 O ATOM 359 ND2 ASN A 24 -8.550 -1.721 -14.841 1.00 0.00 N ATOM 0 H ASN A 24 -6.352 -3.211 -13.364 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.377 -1.663 -12.141 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.042 -4.259 -13.632 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.543 -4.119 -12.739 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.925 -1.119 -15.574 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.584 -1.610 -14.534 1.00 0.00 H new ATOM 366 N GLU A 25 -7.751 -4.401 -10.405 1.00 0.00 N ATOM 367 CA GLU A 25 -7.963 -4.998 -9.043 1.00 0.00 C ATOM 368 C GLU A 25 -6.833 -5.980 -8.682 1.00 0.00 C ATOM 369 O GLU A 25 -7.038 -6.924 -7.941 1.00 0.00 O ATOM 370 CB GLU A 25 -9.310 -5.737 -9.126 1.00 0.00 C ATOM 371 CG GLU A 25 -9.250 -6.835 -10.202 1.00 0.00 C ATOM 372 CD GLU A 25 -9.191 -8.218 -9.539 1.00 0.00 C ATOM 373 OE1 GLU A 25 -10.156 -8.587 -8.889 1.00 0.00 O ATOM 374 OE2 GLU A 25 -8.181 -8.889 -9.697 1.00 0.00 O ATOM 0 H GLU A 25 -7.162 -4.953 -11.029 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.962 -4.230 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.551 -6.179 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.106 -5.031 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.125 -6.770 -10.849 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.374 -6.688 -10.834 1.00 0.00 H new ATOM 381 N LYS A 26 -5.646 -5.769 -9.195 1.00 0.00 N ATOM 382 CA LYS A 26 -4.515 -6.696 -8.883 1.00 0.00 C ATOM 383 C LYS A 26 -3.174 -5.958 -8.927 1.00 0.00 C ATOM 384 O LYS A 26 -3.038 -4.936 -9.567 1.00 0.00 O ATOM 385 CB LYS A 26 -4.574 -7.757 -9.983 1.00 0.00 C ATOM 386 CG LYS A 26 -3.511 -8.830 -9.725 1.00 0.00 C ATOM 387 CD LYS A 26 -4.008 -10.185 -10.235 1.00 0.00 C ATOM 388 CE LYS A 26 -4.888 -10.842 -9.167 1.00 0.00 C ATOM 389 NZ LYS A 26 -6.197 -11.090 -9.836 1.00 0.00 N ATOM 0 H LYS A 26 -5.412 -4.995 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.599 -7.123 -7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.564 -8.212 -10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.409 -7.295 -10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.581 -8.561 -10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.293 -8.890 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.574 -10.053 -11.157 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.161 -10.830 -10.471 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.446 -11.772 -8.810 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.006 -10.192 -8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.693 -11.865 -9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.777 -10.228 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.035 -11.351 -10.830 1.00 0.00 H new ATOM 403 N THR A 27 -2.179 -6.484 -8.259 1.00 0.00 N ATOM 404 CA THR A 27 -0.834 -5.836 -8.263 1.00 0.00 C ATOM 405 C THR A 27 0.249 -6.893 -8.006 1.00 0.00 C ATOM 406 O THR A 27 0.040 -7.838 -7.272 1.00 0.00 O ATOM 407 CB THR A 27 -0.881 -4.795 -7.136 1.00 0.00 C ATOM 408 OG1 THR A 27 0.261 -3.952 -7.223 1.00 0.00 O ATOM 409 CG2 THR A 27 -0.907 -5.488 -5.770 1.00 0.00 C ATOM 0 H THR A 27 -2.242 -7.340 -7.708 1.00 0.00 H new ATOM 0 HA THR A 27 -0.595 -5.367 -9.218 1.00 0.00 H new ATOM 0 HB THR A 27 -1.787 -4.198 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.231 -3.286 -6.505 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.940 -4.736 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.789 -6.125 -5.702 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.010 -6.097 -5.654 1.00 0.00 H new ATOM 417 N GLU A 28 1.399 -6.741 -8.610 1.00 0.00 N ATOM 418 CA GLU A 28 2.499 -7.738 -8.406 1.00 0.00 C ATOM 419 C GLU A 28 3.536 -7.174 -7.428 1.00 0.00 C ATOM 420 O GLU A 28 4.273 -6.263 -7.757 1.00 0.00 O ATOM 421 CB GLU A 28 3.114 -7.943 -9.795 1.00 0.00 C ATOM 422 CG GLU A 28 2.913 -9.398 -10.243 1.00 0.00 C ATOM 423 CD GLU A 28 3.923 -10.323 -9.543 1.00 0.00 C ATOM 424 OE1 GLU A 28 4.926 -9.828 -9.051 1.00 0.00 O ATOM 425 OE2 GLU A 28 3.672 -11.515 -9.516 1.00 0.00 O ATOM 0 H GLU A 28 1.627 -5.969 -9.237 1.00 0.00 H new ATOM 0 HA GLU A 28 2.140 -8.677 -7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.651 -7.265 -10.512 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.177 -7.704 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.897 -9.718 -10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.032 -9.471 -11.324 1.00 0.00 H new ATOM 432 N LEU A 29 3.592 -7.692 -6.224 1.00 0.00 N ATOM 433 CA LEU A 29 4.572 -7.159 -5.225 1.00 0.00 C ATOM 434 C LEU A 29 5.633 -8.217 -4.878 1.00 0.00 C ATOM 435 O LEU A 29 5.310 -9.342 -4.545 1.00 0.00 O ATOM 436 CB LEU A 29 3.743 -6.814 -3.977 1.00 0.00 C ATOM 437 CG LEU A 29 2.423 -6.112 -4.352 1.00 0.00 C ATOM 438 CD1 LEU A 29 1.841 -5.443 -3.106 1.00 0.00 C ATOM 439 CD2 LEU A 29 2.655 -5.043 -5.434 1.00 0.00 C ATOM 0 H LEU A 29 3.005 -8.457 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 29 5.105 -6.292 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.526 -7.725 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.325 -6.169 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 29 1.732 -6.859 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.907 -4.944 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.651 -6.198 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.550 -4.710 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.708 -4.563 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.355 -4.295 -5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.067 -5.513 -6.327 1.00 0.00 H new ATOM 451 N LEU A 30 6.899 -7.856 -4.948 1.00 0.00 N ATOM 452 CA LEU A 30 8.003 -8.824 -4.621 1.00 0.00 C ATOM 453 C LEU A 30 7.936 -10.059 -5.531 1.00 0.00 C ATOM 454 O LEU A 30 8.338 -11.141 -5.151 1.00 0.00 O ATOM 455 CB LEU A 30 7.774 -9.230 -3.158 1.00 0.00 C ATOM 456 CG LEU A 30 9.114 -9.590 -2.503 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.567 -8.450 -1.587 1.00 0.00 C ATOM 458 CD2 LEU A 30 8.950 -10.864 -1.670 1.00 0.00 C ATOM 0 H LEU A 30 7.216 -6.925 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 30 8.984 -8.374 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.301 -8.413 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.095 -10.081 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 30 9.859 -9.750 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.519 -8.711 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.686 -7.538 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.819 -8.288 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.902 -11.120 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.201 -10.699 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.630 -11.682 -2.315 1.00 0.00 H new ATOM 470 N GLY A 31 7.423 -9.908 -6.726 1.00 0.00 N ATOM 471 CA GLY A 31 7.320 -11.077 -7.652 1.00 0.00 C ATOM 472 C GLY A 31 6.164 -11.988 -7.207 1.00 0.00 C ATOM 473 O GLY A 31 6.125 -13.157 -7.541 1.00 0.00 O ATOM 0 H GLY A 31 7.071 -9.027 -7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.152 -10.732 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.256 -11.635 -7.654 1.00 0.00 H new ATOM 477 N HIS A 32 5.225 -11.458 -6.455 1.00 0.00 N ATOM 478 CA HIS A 32 4.071 -12.276 -5.983 1.00 0.00 C ATOM 479 C HIS A 32 2.758 -11.657 -6.472 1.00 0.00 C ATOM 480 O HIS A 32 2.682 -10.468 -6.723 1.00 0.00 O ATOM 481 CB HIS A 32 4.135 -12.208 -4.455 1.00 0.00 C ATOM 482 CG HIS A 32 5.390 -12.871 -3.952 1.00 0.00 C ATOM 483 ND1 HIS A 32 5.806 -14.117 -4.396 1.00 0.00 N ATOM 484 CD2 HIS A 32 6.331 -12.467 -3.038 1.00 0.00 C ATOM 485 CE1 HIS A 32 6.952 -14.414 -3.755 1.00 0.00 C ATOM 486 NE2 HIS A 32 7.315 -13.442 -2.915 1.00 0.00 N ATOM 0 H HIS A 32 5.214 -10.485 -6.148 1.00 0.00 H new ATOM 0 HA HIS A 32 4.114 -13.300 -6.355 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.110 -11.168 -4.130 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.261 -12.697 -4.026 1.00 0.00 H new ATOM 0 HD1 HIS A 32 5.330 -14.702 -5.083 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.310 -11.533 -2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.510 -15.327 -3.902 1.00 0.00 H new ATOM 494 N GLU A 33 1.719 -12.443 -6.595 1.00 0.00 N ATOM 495 CA GLU A 33 0.414 -11.879 -7.050 1.00 0.00 C ATOM 496 C GLU A 33 -0.363 -11.337 -5.844 1.00 0.00 C ATOM 497 O GLU A 33 -0.743 -12.073 -4.952 1.00 0.00 O ATOM 498 CB GLU A 33 -0.338 -13.044 -7.707 1.00 0.00 C ATOM 499 CG GLU A 33 -1.175 -12.512 -8.876 1.00 0.00 C ATOM 500 CD GLU A 33 -2.250 -13.534 -9.255 1.00 0.00 C ATOM 501 OE1 GLU A 33 -3.210 -13.657 -8.512 1.00 0.00 O ATOM 502 OE2 GLU A 33 -2.099 -14.170 -10.284 1.00 0.00 O ATOM 0 H GLU A 33 1.718 -13.444 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 33 0.543 -11.053 -7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.369 -13.794 -8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.982 -13.534 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.641 -11.566 -8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.532 -12.312 -9.733 1.00 0.00 H new ATOM 509 N CYS A 34 -0.599 -10.052 -5.818 1.00 0.00 N ATOM 510 CA CYS A 34 -1.349 -9.438 -4.684 1.00 0.00 C ATOM 511 C CYS A 34 -2.662 -8.847 -5.196 1.00 0.00 C ATOM 512 O CYS A 34 -2.916 -8.812 -6.387 1.00 0.00 O ATOM 513 CB CYS A 34 -0.442 -8.328 -4.152 1.00 0.00 C ATOM 514 SG CYS A 34 0.821 -9.042 -3.071 1.00 0.00 S ATOM 0 H CYS A 34 -0.301 -9.396 -6.540 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.594 -10.165 -3.910 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.030 -7.802 -4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.032 -7.594 -3.603 1.00 0.00 H new ATOM 519 N LYS A 35 -3.497 -8.386 -4.307 1.00 0.00 N ATOM 520 CA LYS A 35 -4.795 -7.799 -4.737 1.00 0.00 C ATOM 521 C LYS A 35 -5.054 -6.465 -4.036 1.00 0.00 C ATOM 522 O LYS A 35 -5.352 -6.412 -2.857 1.00 0.00 O ATOM 523 CB LYS A 35 -5.849 -8.827 -4.339 1.00 0.00 C ATOM 524 CG LYS A 35 -7.156 -8.525 -5.079 1.00 0.00 C ATOM 525 CD LYS A 35 -7.374 -9.561 -6.183 1.00 0.00 C ATOM 526 CE LYS A 35 -8.870 -9.869 -6.307 1.00 0.00 C ATOM 527 NZ LYS A 35 -8.971 -10.902 -7.377 1.00 0.00 N ATOM 0 H LYS A 35 -3.336 -8.391 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.808 -7.591 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.504 -9.832 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.013 -8.799 -3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.993 -8.542 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.119 -7.524 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.990 -9.184 -7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.822 -10.473 -5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.275 -10.238 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.435 -8.975 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.472 -10.505 -8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.017 -11.198 -7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.495 -11.725 -7.017 1.00 0.00 H new ATOM 541 N PHE A 36 -4.971 -5.392 -4.772 1.00 0.00 N ATOM 542 CA PHE A 36 -5.242 -4.044 -4.192 1.00 0.00 C ATOM 543 C PHE A 36 -6.577 -3.550 -4.763 1.00 0.00 C ATOM 544 O PHE A 36 -6.866 -3.759 -5.928 1.00 0.00 O ATOM 545 CB PHE A 36 -4.071 -3.173 -4.664 1.00 0.00 C ATOM 546 CG PHE A 36 -4.113 -1.814 -3.994 1.00 0.00 C ATOM 547 CD1 PHE A 36 -4.882 -0.783 -4.547 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.369 -1.582 -2.829 1.00 0.00 C ATOM 549 CE1 PHE A 36 -4.912 0.475 -3.935 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.397 -0.322 -2.219 1.00 0.00 C ATOM 551 CZ PHE A 36 -4.169 0.705 -2.773 1.00 0.00 C ATOM 0 H PHE A 36 -4.724 -5.390 -5.762 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.318 -4.030 -3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.127 -3.668 -4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.114 -3.052 -5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.453 -0.959 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.774 -2.375 -2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.509 1.268 -4.360 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.823 -0.143 -1.322 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.191 1.677 -2.302 1.00 0.00 H new ATOM 561 N THR A 37 -7.409 -2.932 -3.964 1.00 0.00 N ATOM 562 CA THR A 37 -8.732 -2.472 -4.493 1.00 0.00 C ATOM 563 C THR A 37 -9.167 -1.147 -3.858 1.00 0.00 C ATOM 564 O THR A 37 -8.807 -0.826 -2.739 1.00 0.00 O ATOM 565 CB THR A 37 -9.729 -3.590 -4.137 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.522 -4.029 -2.793 1.00 0.00 O ATOM 567 CG2 THR A 37 -9.548 -4.769 -5.098 1.00 0.00 C ATOM 0 H THR A 37 -7.235 -2.727 -2.980 1.00 0.00 H new ATOM 0 HA THR A 37 -8.681 -2.291 -5.567 1.00 0.00 H new ATOM 0 HB THR A 37 -10.743 -3.200 -4.228 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.096 -3.313 -2.277 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.255 -5.558 -4.843 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.729 -4.436 -6.120 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.531 -5.153 -5.016 1.00 0.00 H new ATOM 575 N VAL A 38 -9.960 -0.385 -4.573 1.00 0.00 N ATOM 576 CA VAL A 38 -10.462 0.922 -4.045 1.00 0.00 C ATOM 577 C VAL A 38 -11.973 1.022 -4.300 1.00 0.00 C ATOM 578 O VAL A 38 -12.426 0.917 -5.426 1.00 0.00 O ATOM 579 CB VAL A 38 -9.705 2.002 -4.829 1.00 0.00 C ATOM 580 CG1 VAL A 38 -10.203 3.388 -4.406 1.00 0.00 C ATOM 581 CG2 VAL A 38 -8.205 1.900 -4.534 1.00 0.00 C ATOM 0 H VAL A 38 -10.284 -0.617 -5.512 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.300 1.031 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.880 1.856 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.664 4.154 -4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.270 3.470 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.030 3.527 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.671 2.669 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.034 2.042 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.842 0.917 -4.832 1.00 0.00 H new ATOM 591 N LYS A 39 -12.757 1.220 -3.269 1.00 0.00 N ATOM 592 CA LYS A 39 -14.235 1.318 -3.466 1.00 0.00 C ATOM 593 C LYS A 39 -14.822 2.445 -2.607 1.00 0.00 C ATOM 594 O LYS A 39 -14.759 2.395 -1.392 1.00 0.00 O ATOM 595 CB LYS A 39 -14.791 -0.040 -3.028 1.00 0.00 C ATOM 596 CG LYS A 39 -16.255 -0.156 -3.463 1.00 0.00 C ATOM 597 CD LYS A 39 -16.752 -1.586 -3.229 1.00 0.00 C ATOM 598 CE LYS A 39 -17.821 -1.937 -4.272 1.00 0.00 C ATOM 599 NZ LYS A 39 -19.124 -1.557 -3.648 1.00 0.00 N ATOM 0 H LYS A 39 -12.439 1.317 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.492 1.548 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.204 -0.845 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.712 -0.145 -1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.868 0.549 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.353 0.105 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.920 -2.287 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.165 -1.678 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.657 -1.392 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.797 -2.999 -4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.900 -1.770 -4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.258 -2.096 -2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.122 -0.540 -3.433 1.00 0.00 H new ATOM 613 N PRO A 40 -15.385 3.425 -3.273 1.00 0.00 N ATOM 614 CA PRO A 40 -16.000 4.567 -2.562 1.00 0.00 C ATOM 615 C PRO A 40 -17.411 4.208 -2.082 1.00 0.00 C ATOM 616 O PRO A 40 -18.057 3.326 -2.617 1.00 0.00 O ATOM 617 CB PRO A 40 -16.064 5.657 -3.625 1.00 0.00 C ATOM 618 CG PRO A 40 -16.101 4.932 -4.937 1.00 0.00 C ATOM 619 CD PRO A 40 -15.492 3.566 -4.731 1.00 0.00 C ATOM 0 HA PRO A 40 -15.440 4.865 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.949 6.280 -3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.198 6.316 -3.565 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.127 4.842 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.547 5.486 -5.695 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.118 2.784 -5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.515 3.491 -5.209 1.00 0.00 H new ATOM 766 N TYR A 48 -17.621 9.149 0.468 1.00 0.00 N ATOM 767 CA TYR A 48 -16.277 8.822 1.034 1.00 0.00 C ATOM 768 C TYR A 48 -15.535 7.824 0.138 1.00 0.00 C ATOM 769 O TYR A 48 -16.135 6.996 -0.516 1.00 0.00 O ATOM 770 CB TYR A 48 -16.566 8.196 2.403 1.00 0.00 C ATOM 771 CG TYR A 48 -16.843 9.286 3.413 1.00 0.00 C ATOM 772 CD1 TYR A 48 -15.782 9.891 4.098 1.00 0.00 C ATOM 773 CD2 TYR A 48 -18.161 9.694 3.663 1.00 0.00 C ATOM 774 CE1 TYR A 48 -16.038 10.901 5.033 1.00 0.00 C ATOM 775 CE2 TYR A 48 -18.415 10.705 4.597 1.00 0.00 C ATOM 776 CZ TYR A 48 -17.354 11.308 5.282 1.00 0.00 C ATOM 777 OH TYR A 48 -17.604 12.306 6.202 1.00 0.00 O ATOM 0 HA TYR A 48 -15.643 9.705 1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.422 7.525 2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.716 7.595 2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.766 9.578 3.905 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -18.980 9.228 3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.220 11.366 5.562 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -19.430 11.020 4.789 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.569 12.469 6.254 1.00 0.00 H new ATOM 787 N TYR A 49 -14.227 7.894 0.118 1.00 0.00 N ATOM 788 CA TYR A 49 -13.433 6.944 -0.720 1.00 0.00 C ATOM 789 C TYR A 49 -12.682 5.962 0.185 1.00 0.00 C ATOM 790 O TYR A 49 -12.036 6.357 1.138 1.00 0.00 O ATOM 791 CB TYR A 49 -12.448 7.824 -1.496 1.00 0.00 C ATOM 792 CG TYR A 49 -12.634 7.626 -2.981 1.00 0.00 C ATOM 793 CD1 TYR A 49 -13.674 8.282 -3.651 1.00 0.00 C ATOM 794 CD2 TYR A 49 -11.758 6.796 -3.691 1.00 0.00 C ATOM 795 CE1 TYR A 49 -13.838 8.106 -5.029 1.00 0.00 C ATOM 796 CE2 TYR A 49 -11.922 6.621 -5.069 1.00 0.00 C ATOM 797 CZ TYR A 49 -12.962 7.276 -5.739 1.00 0.00 C ATOM 798 OH TYR A 49 -13.121 7.108 -7.098 1.00 0.00 O ATOM 0 H TYR A 49 -13.674 8.569 0.647 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.058 6.353 -1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.604 8.872 -1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.425 7.575 -1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.349 8.923 -3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.955 6.291 -3.174 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.641 8.611 -5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.246 5.980 -5.616 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.429 6.502 -7.436 1.00 0.00 H new ATOM 808 N LYS A 50 -12.763 4.687 -0.097 1.00 0.00 N ATOM 809 CA LYS A 50 -12.052 3.685 0.755 1.00 0.00 C ATOM 810 C LYS A 50 -11.219 2.742 -0.112 1.00 0.00 C ATOM 811 O LYS A 50 -11.456 2.603 -1.297 1.00 0.00 O ATOM 812 CB LYS A 50 -13.158 2.913 1.476 1.00 0.00 C ATOM 813 CG LYS A 50 -12.540 2.015 2.553 1.00 0.00 C ATOM 814 CD LYS A 50 -13.620 1.589 3.552 1.00 0.00 C ATOM 815 CE LYS A 50 -13.585 0.066 3.726 1.00 0.00 C ATOM 816 NZ LYS A 50 -14.758 -0.250 4.590 1.00 0.00 N ATOM 0 H LYS A 50 -13.289 4.296 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.365 4.160 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.864 3.608 1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.718 2.309 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.090 1.136 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.742 2.548 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.456 2.079 4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.602 1.903 3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.654 -0.443 2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.654 -0.257 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.802 -1.276 4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.661 0.243 5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.631 0.062 4.118 1.00 0.00 H new ATOM 830 N GLY A 51 -10.244 2.092 0.469 1.00 0.00 N ATOM 831 CA GLY A 51 -9.398 1.156 -0.320 1.00 0.00 C ATOM 832 C GLY A 51 -8.817 0.078 0.594 1.00 0.00 C ATOM 833 O GLY A 51 -8.464 0.334 1.731 1.00 0.00 O ATOM 0 H GLY A 51 -9.999 2.171 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.991 0.694 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.592 1.704 -0.807 1.00 0.00 H new ATOM 837 N ARG A 52 -8.723 -1.129 0.095 1.00 0.00 N ATOM 838 CA ARG A 52 -8.172 -2.252 0.909 1.00 0.00 C ATOM 839 C ARG A 52 -7.253 -3.123 0.041 1.00 0.00 C ATOM 840 O ARG A 52 -7.446 -3.235 -1.154 1.00 0.00 O ATOM 841 CB ARG A 52 -9.403 -3.047 1.351 1.00 0.00 C ATOM 842 CG ARG A 52 -9.280 -3.399 2.834 1.00 0.00 C ATOM 843 CD ARG A 52 -8.780 -4.839 2.980 1.00 0.00 C ATOM 844 NE ARG A 52 -9.904 -5.571 3.627 1.00 0.00 N ATOM 845 CZ ARG A 52 -10.667 -6.361 2.920 1.00 0.00 C ATOM 846 NH1 ARG A 52 -10.323 -7.608 2.741 1.00 0.00 N ATOM 847 NH2 ARG A 52 -11.773 -5.903 2.394 1.00 0.00 N ATOM 0 H ARG A 52 -9.007 -1.385 -0.850 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.579 -1.907 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.307 -2.463 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.494 -3.957 0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.591 -2.712 3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.246 -3.287 3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.533 -5.272 2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.877 -4.884 3.589 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.079 -5.455 4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.460 -7.963 3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.917 -8.227 2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.040 -4.929 2.536 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.369 -6.520 1.842 1.00 0.00 H new ATOM 861 N MET A 53 -6.254 -3.741 0.624 1.00 0.00 N ATOM 862 CA MET A 53 -5.336 -4.598 -0.190 1.00 0.00 C ATOM 863 C MET A 53 -4.843 -5.812 0.612 1.00 0.00 C ATOM 864 O MET A 53 -4.810 -5.801 1.830 1.00 0.00 O ATOM 865 CB MET A 53 -4.165 -3.686 -0.580 1.00 0.00 C ATOM 866 CG MET A 53 -3.154 -3.588 0.567 1.00 0.00 C ATOM 867 SD MET A 53 -1.867 -2.393 0.134 1.00 0.00 S ATOM 868 CE MET A 53 -0.812 -3.524 -0.804 1.00 0.00 C ATOM 0 H MET A 53 -6.036 -3.690 1.619 1.00 0.00 H new ATOM 0 HA MET A 53 -5.843 -5.004 -1.065 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.675 -4.076 -1.472 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.538 -2.693 -0.829 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.657 -3.281 1.484 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.709 -4.564 0.759 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.196 -3.113 -0.868 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.778 -4.491 -0.302 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.217 -3.650 -1.808 1.00 0.00 H new ATOM 878 N TRP A 54 -4.449 -6.852 -0.082 1.00 0.00 N ATOM 879 CA TRP A 54 -3.939 -8.084 0.601 1.00 0.00 C ATOM 880 C TRP A 54 -3.238 -9.003 -0.411 1.00 0.00 C ATOM 881 O TRP A 54 -3.385 -8.845 -1.607 1.00 0.00 O ATOM 882 CB TRP A 54 -5.178 -8.768 1.203 1.00 0.00 C ATOM 883 CG TRP A 54 -6.028 -9.365 0.123 1.00 0.00 C ATOM 884 CD1 TRP A 54 -5.849 -10.594 -0.417 1.00 0.00 C ATOM 885 CD2 TRP A 54 -7.185 -8.787 -0.548 1.00 0.00 C ATOM 886 NE1 TRP A 54 -6.821 -10.806 -1.378 1.00 0.00 N ATOM 887 CE2 TRP A 54 -7.669 -9.722 -1.494 1.00 0.00 C ATOM 888 CE3 TRP A 54 -7.855 -7.556 -0.429 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -8.779 -9.443 -2.294 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.971 -7.272 -1.232 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.433 -8.215 -2.162 1.00 0.00 C ATOM 0 H TRP A 54 -4.459 -6.901 -1.101 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.204 -7.849 1.371 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.868 -9.546 1.901 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.760 -8.043 1.772 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.074 -11.294 -0.142 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.902 -11.658 -1.933 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.508 -6.824 0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -9.130 -10.171 -3.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.476 -6.323 -1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.293 -7.992 -2.776 1.00 0.00 H new ATOM 902 N CYS A 55 -2.474 -9.959 0.060 1.00 0.00 N ATOM 903 CA CYS A 55 -1.764 -10.883 -0.877 1.00 0.00 C ATOM 904 C CYS A 55 -2.047 -12.344 -0.501 1.00 0.00 C ATOM 905 O CYS A 55 -1.426 -12.884 0.395 1.00 0.00 O ATOM 906 CB CYS A 55 -0.277 -10.562 -0.704 1.00 0.00 C ATOM 907 SG CYS A 55 0.042 -8.856 -1.218 1.00 0.00 S ATOM 0 H CYS A 55 -2.312 -10.138 1.051 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.091 -10.753 -1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.016 -10.699 0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.325 -11.250 -1.298 1.00 0.00 H new ATOM 912 N PRO A 56 -2.988 -12.939 -1.202 1.00 0.00 N ATOM 913 CA PRO A 56 -3.359 -14.354 -0.935 1.00 0.00 C ATOM 914 C PRO A 56 -2.288 -15.307 -1.489 1.00 0.00 C ATOM 915 O PRO A 56 -2.402 -15.811 -2.591 1.00 0.00 O ATOM 916 CB PRO A 56 -4.681 -14.523 -1.682 1.00 0.00 C ATOM 917 CG PRO A 56 -4.653 -13.494 -2.769 1.00 0.00 C ATOM 918 CD PRO A 56 -3.785 -12.357 -2.292 1.00 0.00 C ATOM 0 HA PRO A 56 -3.443 -14.582 0.128 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.775 -15.528 -2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.531 -14.370 -1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.256 -13.920 -3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.660 -13.141 -2.990 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.148 -11.980 -3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.386 -11.518 -1.941 1.00 0.00 H new ATOM 926 N GLY A 57 -1.248 -15.553 -0.731 1.00 0.00 N ATOM 927 CA GLY A 57 -0.169 -16.468 -1.207 1.00 0.00 C ATOM 928 C GLY A 57 1.195 -15.955 -0.736 1.00 0.00 C ATOM 929 O GLY A 57 2.024 -16.716 -0.276 1.00 0.00 O ATOM 0 H GLY A 57 -1.101 -15.158 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.340 -17.475 -0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.188 -16.531 -2.295 1.00 0.00 H new ATOM 933 N TRP A 58 1.433 -14.670 -0.849 1.00 0.00 N ATOM 934 CA TRP A 58 2.746 -14.106 -0.409 1.00 0.00 C ATOM 935 C TRP A 58 2.853 -14.151 1.119 1.00 0.00 C ATOM 936 O TRP A 58 3.743 -14.771 1.670 1.00 0.00 O ATOM 937 CB TRP A 58 2.752 -12.656 -0.910 1.00 0.00 C ATOM 938 CG TRP A 58 4.037 -11.976 -0.534 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.157 -12.598 -0.093 1.00 0.00 C ATOM 940 CD2 TRP A 58 4.348 -10.552 -0.558 1.00 0.00 C ATOM 941 NE1 TRP A 58 6.129 -11.647 0.157 1.00 0.00 N ATOM 942 CE2 TRP A 58 5.679 -10.371 -0.115 1.00 0.00 C ATOM 943 CE3 TRP A 58 3.611 -9.411 -0.919 1.00 0.00 C ATOM 944 CZ2 TRP A 58 6.257 -9.104 -0.031 1.00 0.00 C ATOM 945 CZ3 TRP A 58 4.188 -8.133 -0.836 1.00 0.00 C ATOM 946 CH2 TRP A 58 5.510 -7.981 -0.393 1.00 0.00 C ATOM 0 H TRP A 58 0.774 -13.989 -1.227 1.00 0.00 H new ATOM 0 HA TRP A 58 3.590 -14.671 -0.804 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.627 -12.638 -1.993 1.00 0.00 H new ATOM 0 HB3 TRP A 58 1.908 -12.114 -0.483 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.272 -13.663 0.041 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.065 -11.862 0.501 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.593 -9.518 -1.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 7.275 -8.992 0.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 3.611 -7.264 -1.115 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.950 -6.997 -0.332 1.00 0.00 H new ATOM 957 N THR A 59 1.953 -13.495 1.804 1.00 0.00 N ATOM 958 CA THR A 59 1.992 -13.488 3.293 1.00 0.00 C ATOM 959 C THR A 59 0.568 -13.347 3.857 1.00 0.00 C ATOM 960 O THR A 59 -0.408 -13.440 3.136 1.00 0.00 O ATOM 961 CB THR A 59 2.875 -12.280 3.663 1.00 0.00 C ATOM 962 OG1 THR A 59 2.972 -12.173 5.077 1.00 0.00 O ATOM 963 CG2 THR A 59 2.274 -10.989 3.092 1.00 0.00 C ATOM 0 H THR A 59 1.188 -12.961 1.391 1.00 0.00 H new ATOM 0 HA THR A 59 2.394 -14.411 3.710 1.00 0.00 H new ATOM 0 HB THR A 59 3.868 -12.427 3.239 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.535 -11.405 5.309 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.907 -10.143 3.360 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.212 -11.066 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.276 -10.840 3.503 1.00 0.00 H new ATOM 971 N ALA A 60 0.451 -13.126 5.140 1.00 0.00 N ATOM 972 CA ALA A 60 -0.897 -12.983 5.767 1.00 0.00 C ATOM 973 C ALA A 60 -1.067 -11.572 6.349 1.00 0.00 C ATOM 974 O ALA A 60 -1.612 -11.393 7.422 1.00 0.00 O ATOM 975 CB ALA A 60 -0.928 -14.038 6.877 1.00 0.00 C ATOM 0 H ALA A 60 1.236 -13.038 5.785 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.706 -13.124 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.889 -13.999 7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.788 -15.028 6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.128 -13.839 7.590 1.00 0.00 H new ATOM 981 N ILE A 61 -0.609 -10.571 5.638 1.00 0.00 N ATOM 982 CA ILE A 61 -0.742 -9.168 6.130 1.00 0.00 C ATOM 983 C ILE A 61 -1.601 -8.356 5.150 1.00 0.00 C ATOM 984 O ILE A 61 -1.681 -8.676 3.977 1.00 0.00 O ATOM 985 CB ILE A 61 0.702 -8.640 6.206 1.00 0.00 C ATOM 986 CG1 ILE A 61 0.821 -7.653 7.368 1.00 0.00 C ATOM 987 CG2 ILE A 61 1.092 -7.938 4.900 1.00 0.00 C ATOM 988 CD1 ILE A 61 2.270 -7.613 7.858 1.00 0.00 C ATOM 0 H ILE A 61 -0.147 -10.668 4.734 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.236 -9.096 7.099 1.00 0.00 H new ATOM 0 HB ILE A 61 1.374 -9.484 6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.506 -6.659 7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.159 -7.951 8.181 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.116 -7.572 4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.018 -8.643 4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.419 -7.099 4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.355 -6.909 8.686 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.568 -8.606 8.194 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.921 -7.295 7.044 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.254 -7.319 5.615 1.00 0.00 N ATOM 1001 CA ARG A 62 -3.110 -6.511 4.698 1.00 0.00 C ATOM 1002 C ARG A 62 -2.911 -5.012 4.925 1.00 0.00 C ATOM 1003 O ARG A 62 -2.265 -4.588 5.864 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.549 -6.904 5.036 1.00 0.00 C ATOM 1005 CG ARG A 62 -4.813 -8.350 4.605 1.00 0.00 C ATOM 1006 CD ARG A 62 -4.859 -9.254 5.842 1.00 0.00 C ATOM 1007 NE ARG A 62 -4.669 -10.640 5.324 1.00 0.00 N ATOM 1008 CZ ARG A 62 -5.570 -11.179 4.545 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -6.734 -11.519 5.034 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -5.301 -11.379 3.280 1.00 0.00 N ATOM 0 H ARG A 62 -2.231 -7.000 6.584 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.859 -6.704 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.721 -6.798 6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.245 -6.233 4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.756 -8.412 4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.030 -8.686 3.925 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.076 -8.989 6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.810 -9.157 6.365 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.834 -11.168 5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.938 -11.364 6.021 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.439 -11.940 4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.390 -11.115 2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.002 -11.799 2.670 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.482 -4.215 4.065 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.363 -2.734 4.198 1.00 0.00 C ATOM 1026 C GLY A 63 -4.699 -2.097 3.827 1.00 0.00 C ATOM 1027 O GLY A 63 -5.249 -2.361 2.775 1.00 0.00 O ATOM 0 H GLY A 63 -4.033 -4.530 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.089 -2.468 5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.573 -2.359 3.548 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.233 -1.272 4.687 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.546 -0.624 4.392 1.00 0.00 C ATOM 1033 C GLU A 64 -6.499 0.865 4.746 1.00 0.00 C ATOM 1034 O GLU A 64 -5.754 1.287 5.612 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.575 -1.344 5.277 1.00 0.00 C ATOM 1036 CG GLU A 64 -7.212 -2.830 5.428 1.00 0.00 C ATOM 1037 CD GLU A 64 -8.208 -3.518 6.365 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -9.341 -3.725 5.954 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -7.820 -3.831 7.477 1.00 0.00 O ATOM 0 H GLU A 64 -4.817 -1.018 5.583 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.799 -0.698 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.613 -0.872 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.569 -1.249 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.222 -3.316 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.201 -2.928 5.823 1.00 0.00 H new ATOM 1046 N ALA A 65 -7.302 1.660 4.085 1.00 0.00 N ATOM 1047 CA ALA A 65 -7.323 3.129 4.378 1.00 0.00 C ATOM 1048 C ALA A 65 -8.490 3.810 3.653 1.00 0.00 C ATOM 1049 O ALA A 65 -9.077 3.255 2.742 1.00 0.00 O ATOM 1050 CB ALA A 65 -5.992 3.663 3.855 1.00 0.00 C ATOM 0 H ALA A 65 -7.945 1.357 3.354 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.454 3.325 5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.935 4.737 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.172 3.164 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.918 3.470 2.785 1.00 0.00 H new ATOM 1056 N SER A 66 -8.826 5.013 4.051 1.00 0.00 N ATOM 1057 CA SER A 66 -9.953 5.738 3.386 1.00 0.00 C ATOM 1058 C SER A 66 -9.770 7.258 3.494 1.00 0.00 C ATOM 1059 O SER A 66 -9.198 7.762 4.441 1.00 0.00 O ATOM 1060 CB SER A 66 -11.229 5.303 4.117 1.00 0.00 C ATOM 1061 OG SER A 66 -10.935 5.011 5.479 1.00 0.00 O ATOM 0 H SER A 66 -8.369 5.523 4.807 1.00 0.00 H new ATOM 0 HA SER A 66 -9.996 5.500 2.323 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.978 6.093 4.059 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.654 4.424 3.632 1.00 0.00 H new ATOM 0 HG SER A 66 -11.755 4.736 5.939 1.00 0.00 H new ATOM 1067 N THR A 67 -10.266 7.980 2.521 1.00 0.00 N ATOM 1068 CA THR A 67 -10.154 9.474 2.525 1.00 0.00 C ATOM 1069 C THR A 67 -10.952 10.053 1.349 1.00 0.00 C ATOM 1070 O THR A 67 -11.194 9.376 0.371 1.00 0.00 O ATOM 1071 CB THR A 67 -8.656 9.779 2.366 1.00 0.00 C ATOM 1072 OG1 THR A 67 -8.460 11.188 2.374 1.00 0.00 O ATOM 1073 CG2 THR A 67 -8.135 9.194 1.048 1.00 0.00 C ATOM 0 H THR A 67 -10.751 7.593 1.711 1.00 0.00 H new ATOM 0 HA THR A 67 -10.552 9.915 3.439 1.00 0.00 H new ATOM 0 HB THR A 67 -8.108 9.327 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.178 11.484 1.483 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.073 9.416 0.946 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.282 8.114 1.046 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.680 9.635 0.213 1.00 0.00 H new ATOM 1081 N ARG A 68 -11.358 11.296 1.433 1.00 0.00 N ATOM 1082 CA ARG A 68 -12.141 11.909 0.308 1.00 0.00 C ATOM 1083 C ARG A 68 -11.325 11.910 -0.996 1.00 0.00 C ATOM 1084 O ARG A 68 -11.880 11.938 -2.078 1.00 0.00 O ATOM 1085 CB ARG A 68 -12.440 13.342 0.755 1.00 0.00 C ATOM 1086 CG ARG A 68 -13.778 13.374 1.498 1.00 0.00 C ATOM 1087 CD ARG A 68 -14.197 14.827 1.743 1.00 0.00 C ATOM 1088 NE ARG A 68 -14.171 14.992 3.224 1.00 0.00 N ATOM 1089 CZ ARG A 68 -13.293 15.784 3.780 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -12.038 15.423 3.844 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -13.673 16.935 4.271 1.00 0.00 N ATOM 0 H ARG A 68 -11.184 11.913 2.227 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.052 11.347 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.643 13.706 1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -12.476 14.005 -0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.541 12.859 0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -13.691 12.845 2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.513 15.522 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -15.191 15.024 1.341 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.840 14.486 3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.746 14.524 3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.351 16.040 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.653 17.213 4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.989 17.555 4.705 1.00 0.00 H new ATOM 1105 N SER A 69 -10.016 11.877 -0.903 1.00 0.00 N ATOM 1106 CA SER A 69 -9.166 11.872 -2.135 1.00 0.00 C ATOM 1107 C SER A 69 -9.312 10.538 -2.886 1.00 0.00 C ATOM 1108 O SER A 69 -9.363 9.480 -2.286 1.00 0.00 O ATOM 1109 CB SER A 69 -7.715 12.058 -1.658 1.00 0.00 C ATOM 1110 OG SER A 69 -7.647 12.006 -0.233 1.00 0.00 O ATOM 0 H SER A 69 -9.499 11.853 -0.024 1.00 0.00 H new ATOM 0 HA SER A 69 -9.465 12.664 -2.822 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.082 11.281 -2.087 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.329 13.014 -2.012 1.00 0.00 H new ATOM 0 HG SER A 69 -6.718 12.124 0.055 1.00 0.00 H new ATOM 1116 N GLN A 70 -9.377 10.588 -4.195 1.00 0.00 N ATOM 1117 CA GLN A 70 -9.519 9.332 -4.999 1.00 0.00 C ATOM 1118 C GLN A 70 -8.180 8.584 -5.062 1.00 0.00 C ATOM 1119 O GLN A 70 -8.096 7.417 -4.729 1.00 0.00 O ATOM 1120 CB GLN A 70 -9.945 9.788 -6.400 1.00 0.00 C ATOM 1121 CG GLN A 70 -11.366 10.357 -6.350 1.00 0.00 C ATOM 1122 CD GLN A 70 -11.855 10.632 -7.775 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -11.443 11.591 -8.397 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -12.721 9.824 -8.326 1.00 0.00 N ATOM 0 H GLN A 70 -9.338 11.447 -4.743 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.245 8.649 -4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.254 10.544 -6.772 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.904 8.949 -7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.034 9.653 -5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.381 11.277 -5.765 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.069 9.018 -7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.049 9.999 -9.276 1.00 0.00 H new ATOM 1133 N SER A 71 -7.132 9.252 -5.481 1.00 0.00 N ATOM 1134 CA SER A 71 -5.794 8.590 -5.556 1.00 0.00 C ATOM 1135 C SER A 71 -5.140 8.574 -4.169 1.00 0.00 C ATOM 1136 O SER A 71 -4.384 7.679 -3.840 1.00 0.00 O ATOM 1137 CB SER A 71 -4.974 9.438 -6.530 1.00 0.00 C ATOM 1138 OG SER A 71 -3.988 8.623 -7.153 1.00 0.00 O ATOM 0 H SER A 71 -7.147 10.229 -5.774 1.00 0.00 H new ATOM 0 HA SER A 71 -5.865 7.555 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.626 9.879 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.498 10.262 -5.999 1.00 0.00 H new ATOM 0 HG SER A 71 -3.463 9.165 -7.779 1.00 0.00 H new ATOM 1144 N GLY A 72 -5.435 9.561 -3.351 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.847 9.617 -1.980 1.00 0.00 C ATOM 1146 C GLY A 72 -5.230 8.356 -1.197 1.00 0.00 C ATOM 1147 O GLY A 72 -4.442 7.841 -0.428 1.00 0.00 O ATOM 0 H GLY A 72 -6.062 10.332 -3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.762 9.701 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.205 10.504 -1.457 1.00 0.00 H new ATOM 1151 N VAL A 73 -6.430 7.851 -1.391 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.852 6.615 -0.657 1.00 0.00 C ATOM 1153 C VAL A 73 -5.963 5.426 -1.057 1.00 0.00 C ATOM 1154 O VAL A 73 -5.648 4.578 -0.241 1.00 0.00 O ATOM 1155 CB VAL A 73 -8.324 6.379 -1.051 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.419 5.488 -2.294 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -9.051 5.695 0.107 1.00 0.00 C ATOM 0 H VAL A 73 -7.130 8.241 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.750 6.724 0.423 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.783 7.342 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.467 5.335 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.906 5.969 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.952 4.525 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -10.092 5.526 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.573 4.740 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.007 6.331 0.991 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.549 5.366 -2.302 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.672 4.241 -2.751 1.00 0.00 C ATOM 1169 C ALA A 74 -3.304 4.335 -2.069 1.00 0.00 C ATOM 1170 O ALA A 74 -2.740 3.341 -1.653 1.00 0.00 O ATOM 1171 CB ALA A 74 -4.534 4.412 -4.266 1.00 0.00 C ATOM 0 H ALA A 74 -5.781 6.048 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.090 3.267 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.902 3.619 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.519 4.359 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.083 5.380 -4.483 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.773 5.527 -1.942 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.450 5.696 -1.274 1.00 0.00 C ATOM 1179 C GLY A 75 -1.593 5.393 0.221 1.00 0.00 C ATOM 1180 O GLY A 75 -0.670 4.918 0.855 1.00 0.00 O ATOM 0 H GLY A 75 -3.202 6.391 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.715 5.028 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.085 6.713 -1.417 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.747 5.659 0.784 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.963 5.382 2.233 1.00 0.00 C ATOM 1186 C LYS A 76 -3.102 3.871 2.470 1.00 0.00 C ATOM 1187 O LYS A 76 -2.577 3.343 3.433 1.00 0.00 O ATOM 1188 CB LYS A 76 -4.259 6.116 2.594 1.00 0.00 C ATOM 1189 CG LYS A 76 -4.151 6.684 4.013 1.00 0.00 C ATOM 1190 CD LYS A 76 -4.598 8.150 4.020 1.00 0.00 C ATOM 1191 CE LYS A 76 -3.535 9.028 3.341 1.00 0.00 C ATOM 1192 NZ LYS A 76 -2.371 9.039 4.277 1.00 0.00 N ATOM 0 H LYS A 76 -3.550 6.058 0.297 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.128 5.719 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.443 6.921 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.106 5.433 2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.770 6.102 4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.124 6.606 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.551 8.251 3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.757 8.485 5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.253 8.623 2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.910 10.037 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.838 9.924 4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.713 8.969 5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.750 8.231 4.069 1.00 0.00 H new ATOM 1206 N THR A 77 -3.787 3.168 1.595 1.00 0.00 N ATOM 1207 CA THR A 77 -3.938 1.688 1.770 1.00 0.00 C ATOM 1208 C THR A 77 -2.562 1.026 1.652 1.00 0.00 C ATOM 1209 O THR A 77 -2.228 0.125 2.401 1.00 0.00 O ATOM 1210 CB THR A 77 -4.873 1.236 0.636 1.00 0.00 C ATOM 1211 OG1 THR A 77 -6.134 1.880 0.771 1.00 0.00 O ATOM 1212 CG2 THR A 77 -5.078 -0.280 0.698 1.00 0.00 C ATOM 0 H THR A 77 -4.246 3.555 0.771 1.00 0.00 H new ATOM 0 HA THR A 77 -4.347 1.415 2.743 1.00 0.00 H new ATOM 0 HB THR A 77 -4.422 1.503 -0.320 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.069 2.799 0.438 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.742 -0.591 -0.109 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.116 -0.782 0.591 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.522 -0.548 1.657 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.753 1.489 0.730 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.385 0.916 0.568 1.00 0.00 C ATOM 1222 C ALA A 78 0.465 1.254 1.799 1.00 0.00 C ATOM 1223 O ALA A 78 1.229 0.439 2.273 1.00 0.00 O ATOM 1224 CB ALA A 78 0.186 1.587 -0.682 1.00 0.00 C ATOM 0 H ALA A 78 -1.984 2.242 0.082 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.396 -0.170 0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.194 1.215 -0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.448 1.359 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.219 2.666 -0.533 1.00 0.00 H new ATOM 1230 N LYS A 79 0.324 2.451 2.324 1.00 0.00 N ATOM 1231 CA LYS A 79 1.114 2.847 3.531 1.00 0.00 C ATOM 1232 C LYS A 79 0.799 1.904 4.696 1.00 0.00 C ATOM 1233 O LYS A 79 1.682 1.483 5.418 1.00 0.00 O ATOM 1234 CB LYS A 79 0.667 4.275 3.860 1.00 0.00 C ATOM 1235 CG LYS A 79 1.683 4.928 4.803 1.00 0.00 C ATOM 1236 CD LYS A 79 1.618 6.452 4.658 1.00 0.00 C ATOM 1237 CE LYS A 79 2.346 6.878 3.378 1.00 0.00 C ATOM 1238 NZ LYS A 79 2.787 8.284 3.621 1.00 0.00 N ATOM 0 H LYS A 79 -0.305 3.169 1.966 1.00 0.00 H new ATOM 0 HA LYS A 79 2.188 2.793 3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.578 4.859 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.319 4.260 4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.473 4.642 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.688 4.574 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.579 6.780 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.075 6.930 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.198 6.229 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.686 6.817 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.293 8.639 2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.956 8.882 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.420 8.312 4.446 1.00 0.00 H new ATOM 1252 N ASP A 80 -0.454 1.560 4.875 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.821 0.631 5.986 1.00 0.00 C ATOM 1254 C ASP A 80 -0.193 -0.743 5.737 1.00 0.00 C ATOM 1255 O ASP A 80 0.321 -1.373 6.641 1.00 0.00 O ATOM 1256 CB ASP A 80 -2.350 0.545 5.955 1.00 0.00 C ATOM 1257 CG ASP A 80 -2.853 -0.114 7.242 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -2.711 0.491 8.294 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -3.372 -1.214 7.154 1.00 0.00 O ATOM 0 H ASP A 80 -1.234 1.882 4.302 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.463 0.978 6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.778 1.542 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.675 -0.031 5.088 1.00 0.00 H new ATOM 1264 N PHE A 81 -0.216 -1.200 4.510 1.00 0.00 N ATOM 1265 CA PHE A 81 0.397 -2.526 4.186 1.00 0.00 C ATOM 1266 C PHE A 81 1.924 -2.436 4.305 1.00 0.00 C ATOM 1267 O PHE A 81 2.574 -3.355 4.770 1.00 0.00 O ATOM 1268 CB PHE A 81 -0.020 -2.815 2.739 1.00 0.00 C ATOM 1269 CG PHE A 81 0.357 -4.231 2.360 1.00 0.00 C ATOM 1270 CD1 PHE A 81 1.644 -4.511 1.886 1.00 0.00 C ATOM 1271 CD2 PHE A 81 -0.586 -5.260 2.473 1.00 0.00 C ATOM 1272 CE1 PHE A 81 1.990 -5.820 1.527 1.00 0.00 C ATOM 1273 CE2 PHE A 81 -0.241 -6.569 2.115 1.00 0.00 C ATOM 1274 CZ PHE A 81 1.047 -6.849 1.642 1.00 0.00 C ATOM 0 H PHE A 81 -0.633 -0.712 3.717 1.00 0.00 H new ATOM 0 HA PHE A 81 0.070 -3.315 4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.095 -2.675 2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.465 -2.109 2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.371 -3.717 1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.580 -5.044 2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.983 -6.036 1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.968 -7.363 2.204 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.313 -7.859 1.366 1.00 0.00 H new ATOM 1284 N VAL A 82 2.500 -1.331 3.891 1.00 0.00 N ATOM 1285 CA VAL A 82 3.981 -1.174 3.985 1.00 0.00 C ATOM 1286 C VAL A 82 4.402 -1.060 5.454 1.00 0.00 C ATOM 1287 O VAL A 82 5.419 -1.593 5.852 1.00 0.00 O ATOM 1288 CB VAL A 82 4.306 0.113 3.213 1.00 0.00 C ATOM 1289 CG1 VAL A 82 5.744 0.549 3.507 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.160 -0.144 1.710 1.00 0.00 C ATOM 0 H VAL A 82 2.005 -0.533 3.493 1.00 0.00 H new ATOM 0 HA VAL A 82 4.516 -2.028 3.569 1.00 0.00 H new ATOM 0 HB VAL A 82 3.618 0.898 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.967 1.463 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.857 0.733 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.433 -0.238 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.390 0.769 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.848 -0.933 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.137 -0.451 1.491 1.00 0.00 H new ATOM 1300 N ARG A 83 3.622 -0.386 6.267 1.00 0.00 N ATOM 1301 CA ARG A 83 3.984 -0.264 7.712 1.00 0.00 C ATOM 1302 C ARG A 83 3.882 -1.634 8.386 1.00 0.00 C ATOM 1303 O ARG A 83 4.717 -1.997 9.192 1.00 0.00 O ATOM 1304 CB ARG A 83 2.968 0.713 8.310 1.00 0.00 C ATOM 1305 CG ARG A 83 3.513 1.277 9.625 1.00 0.00 C ATOM 1306 CD ARG A 83 2.645 2.456 10.079 1.00 0.00 C ATOM 1307 NE ARG A 83 3.600 3.580 10.299 1.00 0.00 N ATOM 1308 CZ ARG A 83 3.738 4.510 9.391 1.00 0.00 C ATOM 1309 NH1 ARG A 83 2.865 5.479 9.312 1.00 0.00 N ATOM 1310 NH2 ARG A 83 4.747 4.464 8.559 1.00 0.00 N ATOM 0 H ARG A 83 2.757 0.081 5.993 1.00 0.00 H new ATOM 0 HA ARG A 83 5.004 0.092 7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.771 1.524 7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.019 0.205 8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.519 0.501 10.390 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.545 1.602 9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.902 2.712 9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.101 2.216 10.993 1.00 0.00 H new ATOM 0 HE ARG A 83 4.146 3.623 11.159 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.077 5.509 9.959 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.972 6.205 8.604 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.424 3.703 8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.857 5.189 7.850 1.00 0.00 H new ATOM 1324 N LYS A 84 2.875 -2.404 8.047 1.00 0.00 N ATOM 1325 CA LYS A 84 2.733 -3.761 8.654 1.00 0.00 C ATOM 1326 C LYS A 84 3.872 -4.660 8.162 1.00 0.00 C ATOM 1327 O LYS A 84 4.437 -5.428 8.918 1.00 0.00 O ATOM 1328 CB LYS A 84 1.380 -4.286 8.171 1.00 0.00 C ATOM 1329 CG LYS A 84 0.262 -3.726 9.055 1.00 0.00 C ATOM 1330 CD LYS A 84 -1.092 -4.017 8.405 1.00 0.00 C ATOM 1331 CE LYS A 84 -2.223 -3.622 9.360 1.00 0.00 C ATOM 1332 NZ LYS A 84 -3.457 -3.625 8.522 1.00 0.00 N ATOM 0 H LYS A 84 2.148 -2.150 7.378 1.00 0.00 H new ATOM 0 HA LYS A 84 2.781 -3.739 9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.216 -3.995 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.370 -5.376 8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.307 -4.177 10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.391 -2.652 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.183 -3.464 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.166 -5.076 8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.306 -4.328 10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.045 -2.639 9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.269 -3.920 9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.626 -2.669 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.337 -4.288 7.730 1.00 0.00 H new ATOM 1346 N ALA A 85 4.219 -4.556 6.900 1.00 0.00 N ATOM 1347 CA ALA A 85 5.332 -5.392 6.355 1.00 0.00 C ATOM 1348 C ALA A 85 6.662 -4.953 6.976 1.00 0.00 C ATOM 1349 O ALA A 85 7.520 -5.767 7.260 1.00 0.00 O ATOM 1350 CB ALA A 85 5.332 -5.138 4.845 1.00 0.00 C ATOM 0 H ALA A 85 3.779 -3.929 6.227 1.00 0.00 H new ATOM 0 HA ALA A 85 5.203 -6.450 6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.126 -5.721 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.370 -5.434 4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.500 -4.078 4.654 1.00 0.00 H new ATOM 1356 N PHE A 86 6.830 -3.669 7.200 1.00 0.00 N ATOM 1357 CA PHE A 86 8.094 -3.168 7.820 1.00 0.00 C ATOM 1358 C PHE A 86 8.179 -3.629 9.283 1.00 0.00 C ATOM 1359 O PHE A 86 9.249 -3.890 9.797 1.00 0.00 O ATOM 1360 CB PHE A 86 8.006 -1.637 7.745 1.00 0.00 C ATOM 1361 CG PHE A 86 8.946 -1.122 6.681 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.321 -1.067 6.930 1.00 0.00 C ATOM 1363 CD2 PHE A 86 8.442 -0.696 5.447 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.193 -0.586 5.947 1.00 0.00 C ATOM 1365 CE2 PHE A 86 9.313 -0.216 4.463 1.00 0.00 C ATOM 1366 CZ PHE A 86 10.689 -0.160 4.713 1.00 0.00 C ATOM 0 H PHE A 86 6.143 -2.948 6.979 1.00 0.00 H new ATOM 0 HA PHE A 86 8.980 -3.546 7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.984 -1.333 7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.261 -1.201 8.711 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.710 -1.396 7.882 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.380 -0.738 5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.255 -0.544 6.141 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.924 0.111 3.510 1.00 0.00 H new ATOM 0 HZ PHE A 86 11.361 0.212 3.954 1.00 0.00 H new ATOM 1376 N GLN A 87 7.052 -3.731 9.956 1.00 0.00 N ATOM 1377 CA GLN A 87 7.058 -4.178 11.384 1.00 0.00 C ATOM 1378 C GLN A 87 7.564 -5.625 11.497 1.00 0.00 C ATOM 1379 O GLN A 87 8.168 -6.000 12.484 1.00 0.00 O ATOM 1380 CB GLN A 87 5.598 -4.089 11.839 1.00 0.00 C ATOM 1381 CG GLN A 87 5.294 -2.667 12.318 1.00 0.00 C ATOM 1382 CD GLN A 87 3.803 -2.543 12.643 1.00 0.00 C ATOM 1383 OE1 GLN A 87 3.022 -2.114 11.815 1.00 0.00 O ATOM 1384 NE2 GLN A 87 3.370 -2.901 13.820 1.00 0.00 N ATOM 0 H GLN A 87 6.129 -3.523 9.574 1.00 0.00 H new ATOM 0 HA GLN A 87 7.718 -3.564 11.997 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.934 -4.356 11.017 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.413 -4.801 12.643 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.890 -2.435 13.201 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.570 -1.946 11.548 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.023 -3.261 14.516 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.378 -2.821 14.045 1.00 0.00 H new ATOM 1393 N LYS A 88 7.320 -6.437 10.496 1.00 0.00 N ATOM 1394 CA LYS A 88 7.787 -7.854 10.547 1.00 0.00 C ATOM 1395 C LYS A 88 9.158 -7.982 9.875 1.00 0.00 C ATOM 1396 O LYS A 88 10.147 -8.260 10.524 1.00 0.00 O ATOM 1397 CB LYS A 88 6.723 -8.656 9.786 1.00 0.00 C ATOM 1398 CG LYS A 88 5.886 -9.470 10.777 1.00 0.00 C ATOM 1399 CD LYS A 88 5.080 -8.524 11.675 1.00 0.00 C ATOM 1400 CE LYS A 88 5.658 -8.540 13.096 1.00 0.00 C ATOM 1401 NZ LYS A 88 4.703 -9.355 13.901 1.00 0.00 N ATOM 0 H LYS A 88 6.818 -6.177 9.647 1.00 0.00 H new ATOM 0 HA LYS A 88 7.905 -8.216 11.569 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.080 -7.981 9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.200 -9.321 9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.213 -10.136 10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.536 -10.099 11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.109 -7.512 11.272 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.034 -8.829 11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.656 -8.977 13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.747 -7.530 13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.036 -9.408 14.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.763 -8.912 13.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.644 -10.314 13.503 1.00 0.00 H new ATOM 1415 N GLY A 89 9.225 -7.776 8.582 1.00 0.00 N ATOM 1416 CA GLY A 89 10.531 -7.881 7.872 1.00 0.00 C ATOM 1417 C GLY A 89 10.312 -8.306 6.417 1.00 0.00 C ATOM 1418 O GLY A 89 10.922 -9.243 5.942 1.00 0.00 O ATOM 0 H GLY A 89 8.429 -7.540 7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.048 -6.922 7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.170 -8.605 8.377 1.00 0.00 H new ATOM 1422 N LEU A 90 9.451 -7.624 5.703 1.00 0.00 N ATOM 1423 CA LEU A 90 9.202 -7.988 4.275 1.00 0.00 C ATOM 1424 C LEU A 90 9.726 -6.892 3.344 1.00 0.00 C ATOM 1425 O LEU A 90 10.273 -7.174 2.298 1.00 0.00 O ATOM 1426 CB LEU A 90 7.681 -8.120 4.139 1.00 0.00 C ATOM 1427 CG LEU A 90 7.274 -9.600 4.175 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.778 -9.726 3.874 1.00 0.00 C ATOM 1429 CD2 LEU A 90 8.064 -10.386 3.122 1.00 0.00 C ATOM 0 H LEU A 90 8.910 -6.831 6.048 1.00 0.00 H new ATOM 0 HA LEU A 90 9.713 -8.911 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.188 -7.580 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.351 -7.667 3.204 1.00 0.00 H new ATOM 0 HG LEU A 90 7.489 -10.003 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.489 -10.777 3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.209 -9.175 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.570 -9.316 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.769 -11.435 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.854 -9.980 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.131 -10.302 3.330 1.00 0.00 H new ATOM 1441 N ILE A 91 9.566 -5.642 3.709 1.00 0.00 N ATOM 1442 CA ILE A 91 10.059 -4.541 2.835 1.00 0.00 C ATOM 1443 C ILE A 91 11.354 -3.959 3.415 1.00 0.00 C ATOM 1444 O ILE A 91 11.390 -2.844 3.898 1.00 0.00 O ATOM 1445 CB ILE A 91 8.925 -3.502 2.813 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.648 -4.155 2.265 1.00 0.00 C ATOM 1447 CG2 ILE A 91 9.317 -2.326 1.912 1.00 0.00 C ATOM 1448 CD1 ILE A 91 6.474 -3.180 2.382 1.00 0.00 C ATOM 0 H ILE A 91 9.116 -5.341 4.573 1.00 0.00 H new ATOM 0 HA ILE A 91 10.297 -4.876 1.826 1.00 0.00 H new ATOM 0 HB ILE A 91 8.749 -3.139 3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.793 -4.440 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.430 -5.069 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.511 -1.593 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.225 -1.861 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.495 -2.687 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.571 -3.649 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.323 -2.917 3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.691 -2.279 1.809 1.00 0.00 H new ATOM 1460 N SER A 92 12.418 -4.721 3.372 1.00 0.00 N ATOM 1461 CA SER A 92 13.728 -4.235 3.918 1.00 0.00 C ATOM 1462 C SER A 92 14.340 -3.183 2.981 1.00 0.00 C ATOM 1463 O SER A 92 13.761 -2.826 1.973 1.00 0.00 O ATOM 1464 CB SER A 92 14.624 -5.474 3.984 1.00 0.00 C ATOM 1465 OG SER A 92 14.079 -6.398 4.917 1.00 0.00 O ATOM 0 H SER A 92 12.438 -5.663 2.981 1.00 0.00 H new ATOM 0 HA SER A 92 13.612 -3.764 4.894 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.699 -5.935 2.999 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.634 -5.191 4.282 1.00 0.00 H new ATOM 0 HG SER A 92 13.944 -7.264 4.479 1.00 0.00 H new ATOM 1471 N GLN A 93 15.506 -2.680 3.309 1.00 0.00 N ATOM 1472 CA GLN A 93 16.151 -1.644 2.441 1.00 0.00 C ATOM 1473 C GLN A 93 16.566 -2.249 1.094 1.00 0.00 C ATOM 1474 O GLN A 93 16.117 -1.815 0.051 1.00 0.00 O ATOM 1475 CB GLN A 93 17.378 -1.167 3.221 1.00 0.00 C ATOM 1476 CG GLN A 93 16.934 -0.232 4.348 1.00 0.00 C ATOM 1477 CD GLN A 93 18.085 -0.043 5.338 1.00 0.00 C ATOM 1478 OE1 GLN A 93 18.271 -0.845 6.231 1.00 0.00 O ATOM 1479 NE2 GLN A 93 18.871 0.991 5.216 1.00 0.00 N ATOM 0 H GLN A 93 16.038 -2.941 4.139 1.00 0.00 H new ATOM 0 HA GLN A 93 15.470 -0.823 2.217 1.00 0.00 H new ATOM 0 HB2 GLN A 93 17.915 -2.021 3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 93 18.067 -0.649 2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 93 16.631 0.731 3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 93 16.066 -0.648 4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 93 18.715 1.665 4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 93 19.642 1.126 5.870 1.00 0.00 H new ATOM 1488 N GLN A 94 17.417 -3.248 1.108 1.00 0.00 N ATOM 1489 CA GLN A 94 17.853 -3.880 -0.179 1.00 0.00 C ATOM 1490 C GLN A 94 16.653 -4.519 -0.879 1.00 0.00 C ATOM 1491 O GLN A 94 16.513 -4.434 -2.084 1.00 0.00 O ATOM 1492 CB GLN A 94 18.881 -4.944 0.215 1.00 0.00 C ATOM 1493 CG GLN A 94 20.250 -4.287 0.407 1.00 0.00 C ATOM 1494 CD GLN A 94 21.203 -5.277 1.078 1.00 0.00 C ATOM 1495 OE1 GLN A 94 21.334 -5.288 2.285 1.00 0.00 O ATOM 1496 NE2 GLN A 94 21.880 -6.117 0.341 1.00 0.00 N ATOM 0 H GLN A 94 17.827 -3.652 1.950 1.00 0.00 H new ATOM 0 HA GLN A 94 18.278 -3.153 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.572 -5.440 1.135 1.00 0.00 H new ATOM 0 HB3 GLN A 94 18.939 -5.711 -0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 94 20.653 -3.974 -0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 94 20.152 -3.390 1.018 1.00 0.00 H new ATOM 0 HE21 GLN A 94 21.771 -6.109 -0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 94 22.518 -6.781 0.780 1.00 0.00 H new ATOM 1505 N GLU A 95 15.778 -5.142 -0.129 1.00 0.00 N ATOM 1506 CA GLU A 95 14.573 -5.769 -0.747 1.00 0.00 C ATOM 1507 C GLU A 95 13.727 -4.689 -1.427 1.00 0.00 C ATOM 1508 O GLU A 95 13.251 -4.873 -2.527 1.00 0.00 O ATOM 1509 CB GLU A 95 13.808 -6.403 0.416 1.00 0.00 C ATOM 1510 CG GLU A 95 14.203 -7.875 0.551 1.00 0.00 C ATOM 1511 CD GLU A 95 13.502 -8.483 1.770 1.00 0.00 C ATOM 1512 OE1 GLU A 95 14.069 -8.418 2.849 1.00 0.00 O ATOM 1513 OE2 GLU A 95 12.411 -9.004 1.603 1.00 0.00 O ATOM 0 H GLU A 95 15.847 -5.243 0.884 1.00 0.00 H new ATOM 0 HA GLU A 95 14.828 -6.508 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.028 -5.871 1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.735 -6.318 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.926 -8.421 -0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.284 -7.964 0.658 1.00 0.00 H new ATOM 1520 N ALA A 96 13.557 -3.557 -0.784 1.00 0.00 N ATOM 1521 CA ALA A 96 12.757 -2.450 -1.394 1.00 0.00 C ATOM 1522 C ALA A 96 13.411 -2.001 -2.703 1.00 0.00 C ATOM 1523 O ALA A 96 12.734 -1.692 -3.662 1.00 0.00 O ATOM 1524 CB ALA A 96 12.776 -1.318 -0.365 1.00 0.00 C ATOM 0 H ALA A 96 13.940 -3.353 0.139 1.00 0.00 H new ATOM 0 HA ALA A 96 11.738 -2.757 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.207 -0.470 -0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 96 12.329 -1.666 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.805 -1.011 -0.181 1.00 0.00 H new ATOM 1530 N ASN A 97 14.723 -1.984 -2.756 1.00 0.00 N ATOM 1531 CA ASN A 97 15.412 -1.580 -4.017 1.00 0.00 C ATOM 1532 C ASN A 97 15.042 -2.570 -5.123 1.00 0.00 C ATOM 1533 O ASN A 97 14.703 -2.182 -6.224 1.00 0.00 O ATOM 1534 CB ASN A 97 16.912 -1.640 -3.706 1.00 0.00 C ATOM 1535 CG ASN A 97 17.397 -0.256 -3.266 1.00 0.00 C ATOM 1536 OD1 ASN A 97 17.688 -0.044 -2.106 1.00 0.00 O ATOM 1537 ND2 ASN A 97 17.494 0.700 -4.149 1.00 0.00 N ATOM 0 H ASN A 97 15.341 -2.232 -1.983 1.00 0.00 H new ATOM 0 HA ASN A 97 15.126 -0.584 -4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.103 -2.371 -2.920 1.00 0.00 H new ATOM 0 HB3 ASN A 97 17.464 -1.968 -4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.814 1.626 -3.865 1.00 0.00 H new ATOM 0 HD22 ASN A 97 17.249 0.521 -5.123 1.00 0.00 H new ATOM 1544 N GLN A 98 15.068 -3.847 -4.824 1.00 0.00 N ATOM 1545 CA GLN A 98 14.677 -4.864 -5.847 1.00 0.00 C ATOM 1546 C GLN A 98 13.153 -4.829 -6.030 1.00 0.00 C ATOM 1547 O GLN A 98 12.637 -5.083 -7.100 1.00 0.00 O ATOM 1548 CB GLN A 98 15.123 -6.218 -5.279 1.00 0.00 C ATOM 1549 CG GLN A 98 16.177 -6.842 -6.201 1.00 0.00 C ATOM 1550 CD GLN A 98 17.578 -6.536 -5.661 1.00 0.00 C ATOM 1551 OE1 GLN A 98 17.911 -5.394 -5.419 1.00 0.00 O ATOM 1552 NE2 GLN A 98 18.420 -7.515 -5.465 1.00 0.00 N ATOM 0 H GLN A 98 15.342 -4.227 -3.918 1.00 0.00 H new ATOM 0 HA GLN A 98 15.134 -4.678 -6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.534 -6.086 -4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.266 -6.885 -5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.028 -7.920 -6.264 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.071 -6.446 -7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 98 18.142 -8.475 -5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.356 -7.319 -5.109 1.00 0.00 H new ATOM 1561 N TRP A 99 12.438 -4.498 -4.981 1.00 0.00 N ATOM 1562 CA TRP A 99 10.949 -4.419 -5.055 1.00 0.00 C ATOM 1563 C TRP A 99 10.531 -3.238 -5.938 1.00 0.00 C ATOM 1564 O TRP A 99 9.603 -3.335 -6.718 1.00 0.00 O ATOM 1565 CB TRP A 99 10.509 -4.189 -3.607 1.00 0.00 C ATOM 1566 CG TRP A 99 9.064 -4.523 -3.446 1.00 0.00 C ATOM 1567 CD1 TRP A 99 8.583 -5.747 -3.133 1.00 0.00 C ATOM 1568 CD2 TRP A 99 7.909 -3.648 -3.568 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.205 -5.678 -3.054 1.00 0.00 N ATOM 1570 CE2 TRP A 99 6.743 -4.405 -3.316 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.756 -2.283 -3.872 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.478 -3.832 -3.361 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.480 -1.705 -3.919 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.343 -2.479 -3.663 1.00 0.00 C ATOM 0 H TRP A 99 12.831 -4.277 -4.066 1.00 0.00 H new ATOM 0 HA TRP A 99 10.499 -5.313 -5.487 1.00 0.00 H new ATOM 0 HB2 TRP A 99 11.108 -4.804 -2.936 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.682 -3.150 -3.328 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.178 -6.634 -2.971 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.604 -6.471 -2.830 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.627 -1.677 -4.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.603 -4.433 -3.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.374 -0.656 -4.154 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.362 -2.028 -3.699 1.00 0.00 H new ATOM 1585 N LEU A 100 11.213 -2.125 -5.819 1.00 0.00 N ATOM 1586 CA LEU A 100 10.864 -0.935 -6.651 1.00 0.00 C ATOM 1587 C LEU A 100 11.491 -1.057 -8.046 1.00 0.00 C ATOM 1588 O LEU A 100 10.942 -0.581 -9.021 1.00 0.00 O ATOM 1589 CB LEU A 100 11.449 0.273 -5.908 1.00 0.00 C ATOM 1590 CG LEU A 100 10.652 0.528 -4.624 1.00 0.00 C ATOM 1591 CD1 LEU A 100 11.523 1.289 -3.622 1.00 0.00 C ATOM 1592 CD2 LEU A 100 9.407 1.359 -4.949 1.00 0.00 C ATOM 0 H LEU A 100 11.997 -1.991 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 100 9.787 -0.841 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.496 0.091 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.418 1.155 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 100 10.350 -0.426 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.955 1.470 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 100 12.408 0.698 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.827 2.242 -4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.841 1.540 -4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.709 2.312 -5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.784 0.817 -5.661 1.00 0.00 H new