USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 740 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 55 SER OG : rot 130:sc= 0.0746 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= -0.313 USER MOD Set 1.3: A 91 GLN : amide:sc= 0.152 K(o=-0.087,f=1.2) USER MOD Set 2.1: A 30 TYR OH : rot 36:sc= -1.88 USER MOD Set 2.2: A 81 ASN : amide:sc= -2.26 K(o=-1.8,f=-8.7!) USER MOD Set 2.3: A 82 THR OG1 : rot -13:sc= 1.24 USER MOD Set 2.4: A 98 THR OG1 : rot 7:sc= 1.07 USER MOD Set 3.1: A 68 SER OG : rot 17:sc= 1.14 USER MOD Set 3.2: A 71 THR OG1 : rot -18:sc= 1.87 USER MOD Set 4.1: A 66 GLN : amide:sc= -2.63 K(o=-3.6,f=-1.5) USER MOD Set 4.2: A 80 TYR OH : rot 180:sc= -0.934 USER MOD Set 5.1: A 58 CYS SG : rot -86:sc= -0.313 USER MOD Set 5.2: A 90 HIS : no HD1:sc= -6.65! C(o=-7!,f=-9.1!) USER MOD Single : A 10 SER OG : rot 170:sc= -3.42! USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= -2.41! (180deg=-2.49) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -2.85! C(o=-2.9!,f=-6.8!) USER MOD Single : A 39 SER OG : rot -81:sc= -0.747! USER MOD Single : A 48 ASN : amide:sc= -2.34! C(o=-2.3!,f=-8.8!) USER MOD Single : A 54 THR OG1 : rot -48:sc= 1.55 USER MOD Single : A 60 GLN : amide:sc= -0.0285 X(o=-0.029,f=-0.013) USER MOD Single : A 64 GLN : amide:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 70 GLN : amide:sc= -1.17 K(o=-1.2,f=-6.1!) USER MOD Single : A 73 SER OG : rot -74:sc= -2.53! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot -30:sc= -4.6! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 150:sc= -0.0417 (180deg=-0.639) USER MOD Single : A 104 LYS NZ :NH3+ 169:sc= 1.1 (180deg=0.412) USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 1.104 12.392 7.233 1.00 0.00 N ATOM 117 CA LEU A 9 2.379 11.811 7.638 1.00 0.00 C ATOM 118 C LEU A 9 2.883 12.472 8.919 1.00 0.00 C ATOM 119 O LEU A 9 2.207 13.322 9.495 1.00 0.00 O ATOM 120 CB LEU A 9 3.350 11.939 6.453 1.00 0.00 C ATOM 121 CG LEU A 9 3.159 10.965 5.302 1.00 0.00 C ATOM 122 CD1 LEU A 9 4.131 11.261 4.168 1.00 0.00 C ATOM 123 CD2 LEU A 9 3.375 9.548 5.824 1.00 0.00 C ATOM 0 HA LEU A 9 2.278 10.753 7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.272 12.952 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.365 11.822 6.832 1.00 0.00 H new ATOM 0 HG LEU A 9 2.149 11.069 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.972 10.549 3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.963 12.273 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.154 11.173 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.241 8.836 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.385 9.457 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.653 9.337 6.613 1.00 0.00 H new ATOM 135 N SER A 10 4.138 12.187 9.252 1.00 0.00 N ATOM 136 CA SER A 10 4.862 12.958 10.255 1.00 0.00 C ATOM 137 C SER A 10 5.954 13.795 9.590 1.00 0.00 C ATOM 138 O SER A 10 6.185 13.671 8.387 1.00 0.00 O ATOM 139 CB SER A 10 5.437 12.063 11.343 1.00 0.00 C ATOM 140 OG SER A 10 6.634 11.434 10.927 1.00 0.00 O ATOM 0 H SER A 10 4.676 11.425 8.840 1.00 0.00 H new ATOM 0 HA SER A 10 4.156 13.633 10.739 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.630 12.656 12.237 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.703 11.304 11.615 1.00 0.00 H new ATOM 0 HG SER A 10 7.059 10.999 11.695 1.00 0.00 H new ATOM 146 N GLY A 11 6.786 14.403 10.430 1.00 0.00 N ATOM 147 CA GLY A 11 7.995 15.072 9.974 1.00 0.00 C ATOM 148 C GLY A 11 8.924 14.081 9.278 1.00 0.00 C ATOM 149 O GLY A 11 9.076 14.113 8.058 1.00 0.00 O ATOM 0 H GLY A 11 6.641 14.445 11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.735 15.879 9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.508 15.527 10.822 1.00 0.00 H new ATOM 153 N GLY A 12 9.657 13.326 10.087 1.00 0.00 N ATOM 154 CA GLY A 12 10.724 12.471 9.589 1.00 0.00 C ATOM 155 C GLY A 12 10.165 11.426 8.627 1.00 0.00 C ATOM 156 O GLY A 12 10.812 11.066 7.644 1.00 0.00 O ATOM 0 H GLY A 12 9.529 13.290 11.098 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.476 13.076 9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.222 11.977 10.423 1.00 0.00 H new ATOM 160 N GLU A 13 8.875 11.146 8.792 1.00 0.00 N ATOM 161 CA GLU A 13 8.186 10.183 7.945 1.00 0.00 C ATOM 162 C GLU A 13 8.041 10.727 6.528 1.00 0.00 C ATOM 163 O GLU A 13 8.259 10.010 5.553 1.00 0.00 O ATOM 164 CB GLU A 13 6.813 9.917 8.580 1.00 0.00 C ATOM 165 CG GLU A 13 6.572 8.966 9.604 1.00 0.00 C ATOM 166 CD GLU A 13 5.182 8.897 10.163 1.00 0.00 C ATOM 167 OE1 GLU A 13 4.320 8.754 9.270 1.00 0.00 O ATOM 168 OE2 GLU A 13 4.922 8.907 11.354 1.00 0.00 O ATOM 0 H GLU A 13 8.287 11.575 9.507 1.00 0.00 H new ATOM 0 HA GLU A 13 8.753 9.255 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.471 10.875 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.147 9.652 7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.829 7.980 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.257 9.174 10.426 1.00 0.00 H new ATOM 175 N LEU A 14 7.808 12.032 6.439 1.00 0.00 N ATOM 176 CA LEU A 14 7.844 12.738 5.167 1.00 0.00 C ATOM 177 C LEU A 14 9.230 12.630 4.537 1.00 0.00 C ATOM 178 O LEU A 14 9.367 12.254 3.374 1.00 0.00 O ATOM 179 CB LEU A 14 7.395 14.187 5.420 1.00 0.00 C ATOM 180 CG LEU A 14 6.549 14.841 4.341 1.00 0.00 C ATOM 181 CD1 LEU A 14 7.188 14.673 2.971 1.00 0.00 C ATOM 182 CD2 LEU A 14 5.163 14.207 4.358 1.00 0.00 C ATOM 0 H LEU A 14 7.591 12.625 7.240 1.00 0.00 H new ATOM 0 HA LEU A 14 7.161 12.292 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.832 14.210 6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.286 14.797 5.570 1.00 0.00 H new ATOM 0 HG LEU A 14 6.473 15.910 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.562 15.150 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.174 15.137 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.286 13.612 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.543 14.667 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.250 13.138 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.704 14.363 5.334 1.00 0.00 H new ATOM 194 N ASP A 15 10.226 13.109 5.274 1.00 0.00 N ATOM 195 CA ASP A 15 11.579 13.236 4.754 1.00 0.00 C ATOM 196 C ASP A 15 12.124 11.869 4.346 1.00 0.00 C ATOM 197 O ASP A 15 13.011 11.776 3.498 1.00 0.00 O ATOM 198 CB ASP A 15 12.484 14.005 5.714 1.00 0.00 C ATOM 199 CG ASP A 15 12.145 15.481 5.805 1.00 0.00 C ATOM 200 OD1 ASP A 15 12.447 16.180 4.814 1.00 0.00 O ATOM 201 OD2 ASP A 15 11.552 15.935 6.795 1.00 0.00 O ATOM 0 H ASP A 15 10.118 13.417 6.240 1.00 0.00 H new ATOM 0 HA ASP A 15 11.554 13.840 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.410 13.560 6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.520 13.896 5.392 1.00 0.00 H new ATOM 206 N LYS A 16 11.371 10.836 4.724 1.00 0.00 N ATOM 207 CA LYS A 16 11.687 9.471 4.333 1.00 0.00 C ATOM 208 C LYS A 16 10.750 9.007 3.221 1.00 0.00 C ATOM 209 O LYS A 16 11.167 8.287 2.312 1.00 0.00 O ATOM 210 CB LYS A 16 11.580 8.502 5.511 1.00 0.00 C ATOM 211 CG LYS A 16 12.655 7.416 5.522 1.00 0.00 C ATOM 212 CD LYS A 16 12.549 6.458 4.349 1.00 0.00 C ATOM 213 CE LYS A 16 13.709 6.458 3.444 1.00 0.00 C ATOM 214 NZ LYS A 16 14.133 7.839 3.102 1.00 0.00 N ATOM 0 H LYS A 16 10.536 10.924 5.303 1.00 0.00 H new ATOM 0 HA LYS A 16 12.717 9.470 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.640 9.068 6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.599 8.028 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.638 7.887 5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.583 6.851 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.407 5.448 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.657 6.708 3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.538 5.928 3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.460 5.916 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.849 7.806 2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.310 8.383 2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.537 8.297 3.944 1.00 0.00 H new ATOM 228 N TRP A 17 9.601 9.675 3.142 1.00 0.00 N ATOM 229 CA TRP A 17 8.633 9.421 2.088 1.00 0.00 C ATOM 230 C TRP A 17 9.074 10.056 0.776 1.00 0.00 C ATOM 231 O TRP A 17 8.623 9.670 -0.304 1.00 0.00 O ATOM 232 CB TRP A 17 7.230 9.874 2.506 1.00 0.00 C ATOM 233 CG TRP A 17 6.179 9.672 1.463 1.00 0.00 C ATOM 234 CD1 TRP A 17 5.992 10.396 0.315 1.00 0.00 C ATOM 235 CD2 TRP A 17 5.279 8.554 1.375 1.00 0.00 C ATOM 236 NE1 TRP A 17 5.109 9.747 -0.519 1.00 0.00 N ATOM 237 CE2 TRP A 17 4.612 8.653 0.133 1.00 0.00 C ATOM 238 CE3 TRP A 17 4.976 7.503 2.234 1.00 0.00 C ATOM 239 CZ2 TRP A 17 3.669 7.721 -0.276 1.00 0.00 C ATOM 240 CZ3 TRP A 17 3.995 6.610 1.853 1.00 0.00 C ATOM 241 CH2 TRP A 17 3.332 6.730 0.634 1.00 0.00 C ATOM 0 H TRP A 17 9.320 10.400 3.802 1.00 0.00 H new ATOM 0 HA TRP A 17 8.584 8.345 1.923 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.940 9.332 3.406 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.266 10.931 2.768 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.469 11.340 0.096 1.00 0.00 H new ATOM 0 HE1 TRP A 17 4.866 10.035 -1.467 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.495 7.389 3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.219 7.765 -1.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.735 5.798 2.516 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.539 6.037 0.392 1.00 0.00 H new ATOM 252 N GLU A 18 10.102 10.904 0.852 1.00 0.00 N ATOM 253 CA GLU A 18 10.367 11.852 -0.231 1.00 0.00 C ATOM 254 C GLU A 18 10.673 11.126 -1.533 1.00 0.00 C ATOM 255 O GLU A 18 10.723 11.748 -2.600 1.00 0.00 O ATOM 256 CB GLU A 18 11.549 12.725 0.213 1.00 0.00 C ATOM 257 CG GLU A 18 11.727 14.085 -0.152 1.00 0.00 C ATOM 258 CD GLU A 18 12.951 14.779 0.368 1.00 0.00 C ATOM 259 OE1 GLU A 18 13.518 14.480 1.405 1.00 0.00 O ATOM 260 OE2 GLU A 18 13.283 15.748 -0.347 1.00 0.00 O ATOM 0 H GLU A 18 10.753 10.954 1.636 1.00 0.00 H new ATOM 0 HA GLU A 18 9.490 12.470 -0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.548 12.703 1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.449 12.204 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.742 14.144 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.853 14.643 0.185 1.00 0.00 H new ATOM 267 N LYS A 19 11.195 9.908 -1.382 1.00 0.00 N ATOM 268 CA LYS A 19 11.626 9.114 -2.528 1.00 0.00 C ATOM 269 C LYS A 19 11.666 7.636 -2.150 1.00 0.00 C ATOM 270 O LYS A 19 12.709 7.124 -1.719 1.00 0.00 O ATOM 271 CB LYS A 19 12.985 9.558 -3.056 1.00 0.00 C ATOM 272 CG LYS A 19 12.928 10.753 -4.009 1.00 0.00 C ATOM 273 CD LYS A 19 13.402 12.046 -3.371 1.00 0.00 C ATOM 274 CE LYS A 19 14.612 12.626 -3.975 1.00 0.00 C ATOM 275 NZ LYS A 19 14.619 14.107 -3.863 1.00 0.00 N ATOM 0 H LYS A 19 11.328 9.453 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 19 10.901 9.269 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.625 9.812 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.454 8.719 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.541 10.541 -4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.904 10.882 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.597 12.779 -3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.593 11.864 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.496 12.219 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.669 12.339 -5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.485 14.484 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.788 14.496 -4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.589 14.379 -2.860 1.00 0.00 H new ATOM 289 N ILE A 20 10.468 7.112 -1.844 1.00 0.00 N ATOM 290 CA ILE A 20 10.339 5.659 -1.657 1.00 0.00 C ATOM 291 C ILE A 20 10.315 4.973 -3.014 1.00 0.00 C ATOM 292 O ILE A 20 9.269 4.844 -3.651 1.00 0.00 O ATOM 293 CB ILE A 20 9.130 5.337 -0.726 1.00 0.00 C ATOM 294 CG1 ILE A 20 9.560 5.597 0.758 1.00 0.00 C ATOM 295 CG2 ILE A 20 8.525 3.926 -0.877 1.00 0.00 C ATOM 296 CD1 ILE A 20 8.387 5.553 1.763 1.00 0.00 C ATOM 0 H ILE A 20 9.608 7.647 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 20 11.206 5.252 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 20 8.324 6.002 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.302 4.853 1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.044 6.572 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.692 3.811 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.168 3.791 -1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.287 3.178 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.762 5.742 2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.654 6.316 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.916 4.570 1.730 1.00 0.00 H new ATOM 308 N ARG A 21 11.433 4.329 -3.354 1.00 0.00 N ATOM 309 CA ARG A 21 11.669 3.900 -4.729 1.00 0.00 C ATOM 310 C ARG A 21 10.599 2.910 -5.173 1.00 0.00 C ATOM 311 O ARG A 21 10.107 2.112 -4.374 1.00 0.00 O ATOM 312 CB ARG A 21 13.059 3.273 -4.893 1.00 0.00 C ATOM 313 CG ARG A 21 14.219 4.232 -4.663 1.00 0.00 C ATOM 314 CD ARG A 21 15.412 3.532 -4.108 1.00 0.00 C ATOM 315 NE ARG A 21 16.180 2.853 -5.143 1.00 0.00 N ATOM 316 CZ ARG A 21 17.163 3.439 -5.828 1.00 0.00 C ATOM 317 NH1 ARG A 21 17.644 4.627 -5.475 1.00 0.00 N ATOM 318 NH2 ARG A 21 17.713 2.795 -6.858 1.00 0.00 N ATOM 0 H ARG A 21 12.181 4.096 -2.701 1.00 0.00 H new ATOM 0 HA ARG A 21 11.620 4.787 -5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.151 2.439 -4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.140 2.860 -5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.485 4.714 -5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.909 5.021 -3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 21 16.050 4.253 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.091 2.806 -3.361 1.00 0.00 H new ATOM 0 HE ARG A 21 15.955 1.881 -5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 21 17.261 5.112 -4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.396 5.054 -6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 21 17.381 1.865 -7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.465 3.232 -7.390 1.00 0.00 H new ATOM 464 N TYR A 30 8.636 6.901 -5.195 1.00 0.00 N ATOM 465 CA TYR A 30 7.564 7.515 -4.431 1.00 0.00 C ATOM 466 C TYR A 30 7.899 9.000 -4.168 1.00 0.00 C ATOM 467 O TYR A 30 8.691 9.249 -3.238 1.00 0.00 O ATOM 468 CB TYR A 30 7.327 6.798 -3.093 1.00 0.00 C ATOM 469 CG TYR A 30 6.500 5.532 -3.168 1.00 0.00 C ATOM 470 CD1 TYR A 30 6.551 4.701 -4.289 1.00 0.00 C ATOM 471 CD2 TYR A 30 5.742 5.100 -2.072 1.00 0.00 C ATOM 472 CE1 TYR A 30 6.036 3.407 -4.254 1.00 0.00 C ATOM 473 CE2 TYR A 30 5.215 3.809 -2.021 1.00 0.00 C ATOM 474 CZ TYR A 30 5.370 2.963 -3.119 1.00 0.00 C ATOM 475 OH TYR A 30 4.720 1.758 -3.194 1.00 0.00 O ATOM 0 HA TYR A 30 6.650 7.433 -5.019 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.295 6.553 -2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.836 7.492 -2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.998 5.068 -5.201 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.562 5.779 -1.251 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.154 2.753 -5.105 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.692 3.468 -1.140 1.00 0.00 H new ATOM 0 HH TYR A 30 5.235 1.143 -3.758 1.00 0.00 H new ATOM 485 N LYS A 31 6.919 9.839 -4.493 1.00 0.00 N ATOM 486 CA LYS A 31 6.918 11.231 -4.082 1.00 0.00 C ATOM 487 C LYS A 31 5.756 11.515 -3.135 1.00 0.00 C ATOM 488 O LYS A 31 4.867 10.681 -2.966 1.00 0.00 O ATOM 489 CB LYS A 31 6.821 12.181 -5.281 1.00 0.00 C ATOM 490 CG LYS A 31 7.847 13.313 -5.256 1.00 0.00 C ATOM 491 CD LYS A 31 7.758 14.225 -6.465 1.00 0.00 C ATOM 492 CE LYS A 31 8.054 13.576 -7.753 1.00 0.00 C ATOM 493 NZ LYS A 31 6.849 13.506 -8.617 1.00 0.00 N ATOM 0 H LYS A 31 6.107 9.569 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 31 7.865 11.407 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.950 11.607 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.820 12.611 -5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.705 13.904 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.849 12.886 -5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.754 14.648 -6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.449 15.057 -6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.840 14.128 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.435 12.570 -7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.093 13.043 -9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.108 12.958 -8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.501 14.468 -8.806 1.00 0.00 H new ATOM 507 N LEU A 32 5.649 12.781 -2.732 1.00 0.00 N ATOM 508 CA LEU A 32 4.597 13.210 -1.832 1.00 0.00 C ATOM 509 C LEU A 32 3.548 14.045 -2.566 1.00 0.00 C ATOM 510 O LEU A 32 2.402 14.133 -2.116 1.00 0.00 O ATOM 511 CB LEU A 32 5.236 13.936 -0.639 1.00 0.00 C ATOM 512 CG LEU A 32 4.316 14.253 0.532 1.00 0.00 C ATOM 513 CD1 LEU A 32 4.214 13.068 1.480 1.00 0.00 C ATOM 514 CD2 LEU A 32 4.858 15.475 1.262 1.00 0.00 C ATOM 0 H LEU A 32 6.285 13.525 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 32 4.054 12.348 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.061 13.327 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.666 14.871 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 32 3.314 14.461 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.551 13.320 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.814 12.207 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.203 12.826 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.208 15.714 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.863 15.264 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.891 16.323 0.578 1.00 0.00 H new ATOM 526 N LYS A 33 3.887 14.518 -3.766 1.00 0.00 N ATOM 527 CA LYS A 33 2.850 14.731 -4.800 1.00 0.00 C ATOM 528 C LYS A 33 2.224 13.394 -5.174 1.00 0.00 C ATOM 529 O LYS A 33 1.072 13.326 -5.611 1.00 0.00 O ATOM 530 CB LYS A 33 3.441 15.384 -6.043 1.00 0.00 C ATOM 531 CG LYS A 33 2.418 16.118 -6.912 1.00 0.00 C ATOM 532 CD LYS A 33 2.936 17.434 -7.460 1.00 0.00 C ATOM 533 CE LYS A 33 3.873 17.309 -8.588 1.00 0.00 C ATOM 534 NZ LYS A 33 3.154 17.098 -9.870 1.00 0.00 N ATOM 0 H LYS A 33 4.837 14.757 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 33 2.089 15.397 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.214 16.089 -5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.929 14.618 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.128 15.475 -7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.519 16.305 -6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.086 18.038 -7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.430 17.977 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.485 18.209 -8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.552 16.475 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.843 17.014 -10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.590 16.226 -9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.525 17.906 -10.052 1.00 0.00 H new ATOM 548 N HIS A 34 2.843 12.319 -4.680 1.00 0.00 N ATOM 549 CA HIS A 34 2.573 10.989 -5.289 1.00 0.00 C ATOM 550 C HIS A 34 1.967 10.092 -4.210 1.00 0.00 C ATOM 551 O HIS A 34 1.036 9.327 -4.509 1.00 0.00 O ATOM 552 CB HIS A 34 3.853 10.386 -5.881 1.00 0.00 C ATOM 553 CG HIS A 34 3.783 8.944 -6.276 1.00 0.00 C ATOM 554 ND1 HIS A 34 4.842 8.071 -6.135 1.00 0.00 N ATOM 555 CD2 HIS A 34 2.703 8.169 -6.545 1.00 0.00 C ATOM 556 CE1 HIS A 34 4.445 6.858 -6.490 1.00 0.00 C ATOM 557 NE2 HIS A 34 3.150 6.886 -6.709 1.00 0.00 N ATOM 0 H HIS A 34 3.503 12.323 -3.902 1.00 0.00 H new ATOM 0 HA HIS A 34 1.870 11.086 -6.116 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.132 10.969 -6.759 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.656 10.503 -5.153 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.678 8.503 -6.617 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.081 5.990 -6.584 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.573 6.083 -6.960 1.00 0.00 H new ATOM 565 N ILE A 35 2.208 10.460 -2.950 1.00 0.00 N ATOM 566 CA ILE A 35 1.288 10.123 -1.858 1.00 0.00 C ATOM 567 C ILE A 35 -0.066 10.786 -2.120 1.00 0.00 C ATOM 568 O ILE A 35 -1.109 10.195 -1.850 1.00 0.00 O ATOM 569 CB ILE A 35 1.896 10.489 -0.467 1.00 0.00 C ATOM 570 CG1 ILE A 35 1.322 9.517 0.610 1.00 0.00 C ATOM 571 CG2 ILE A 35 1.716 11.964 -0.048 1.00 0.00 C ATOM 572 CD1 ILE A 35 1.990 9.641 1.997 1.00 0.00 C ATOM 0 H ILE A 35 3.030 10.990 -2.659 1.00 0.00 H new ATOM 0 HA ILE A 35 1.130 9.045 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 35 2.976 10.368 -0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.253 9.701 0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.435 8.493 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.170 12.122 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.198 12.612 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.653 12.201 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.533 8.931 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.055 9.426 1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.855 10.654 2.377 1.00 0.00 H new ATOM 584 N VAL A 36 -0.001 12.089 -2.385 1.00 0.00 N ATOM 585 CA VAL A 36 -1.210 12.908 -2.457 1.00 0.00 C ATOM 586 C VAL A 36 -2.071 12.424 -3.633 1.00 0.00 C ATOM 587 O VAL A 36 -3.267 12.173 -3.438 1.00 0.00 O ATOM 588 CB VAL A 36 -0.862 14.400 -2.503 1.00 0.00 C ATOM 589 CG1 VAL A 36 -2.068 15.292 -2.785 1.00 0.00 C ATOM 590 CG2 VAL A 36 -0.152 14.854 -1.233 1.00 0.00 C ATOM 0 H VAL A 36 0.867 12.597 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.807 12.789 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.178 14.513 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.752 16.335 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.500 15.026 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.814 15.153 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.078 15.917 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.798 14.680 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.773 14.290 -1.112 1.00 0.00 H new ATOM 600 N TRP A 37 -1.381 11.862 -4.622 1.00 0.00 N ATOM 601 CA TRP A 37 -2.006 11.029 -5.643 1.00 0.00 C ATOM 602 C TRP A 37 -2.699 9.831 -4.994 1.00 0.00 C ATOM 603 O TRP A 37 -3.806 9.458 -5.383 1.00 0.00 O ATOM 604 CB TRP A 37 -0.995 10.630 -6.714 1.00 0.00 C ATOM 605 CG TRP A 37 -1.472 9.622 -7.709 1.00 0.00 C ATOM 606 CD1 TRP A 37 -2.287 9.851 -8.787 1.00 0.00 C ATOM 607 CD2 TRP A 37 -1.434 8.193 -7.545 1.00 0.00 C ATOM 608 NE1 TRP A 37 -2.700 8.661 -9.338 1.00 0.00 N ATOM 609 CE2 TRP A 37 -2.194 7.631 -8.596 1.00 0.00 C ATOM 610 CE3 TRP A 37 -0.806 7.355 -6.630 1.00 0.00 C ATOM 611 CZ2 TRP A 37 -2.356 6.261 -8.742 1.00 0.00 C ATOM 612 CZ3 TRP A 37 -0.930 5.991 -6.801 1.00 0.00 C ATOM 613 CH2 TRP A 37 -1.664 5.450 -7.854 1.00 0.00 C ATOM 0 H TRP A 37 -0.373 11.972 -4.737 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.778 11.603 -6.155 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.689 11.528 -7.251 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.107 10.235 -6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.566 10.829 -9.152 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.288 8.563 -10.166 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.236 7.761 -5.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.991 5.845 -9.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.446 5.326 -6.101 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.695 4.378 -7.982 1.00 0.00 H new ATOM 624 N ALA A 38 -1.906 9.076 -4.241 1.00 0.00 N ATOM 625 CA ALA A 38 -2.341 7.809 -3.673 1.00 0.00 C ATOM 626 C ALA A 38 -3.562 8.027 -2.769 1.00 0.00 C ATOM 627 O ALA A 38 -4.562 7.321 -2.888 1.00 0.00 O ATOM 628 CB ALA A 38 -1.202 7.217 -2.833 1.00 0.00 C ATOM 0 H ALA A 38 -0.945 9.327 -4.009 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.608 7.129 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.522 6.267 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.330 7.054 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.944 7.908 -2.031 1.00 0.00 H new ATOM 634 N SER A 39 -3.307 8.731 -1.665 1.00 0.00 N ATOM 635 CA SER A 39 -4.279 8.905 -0.605 1.00 0.00 C ATOM 636 C SER A 39 -5.567 9.535 -1.144 1.00 0.00 C ATOM 637 O SER A 39 -6.644 8.945 -0.962 1.00 0.00 O ATOM 638 CB SER A 39 -3.711 9.745 0.539 1.00 0.00 C ATOM 639 OG SER A 39 -4.682 9.972 1.542 1.00 0.00 O ATOM 0 H SER A 39 -2.416 9.194 -1.488 1.00 0.00 H new ATOM 0 HA SER A 39 -4.516 7.917 -0.211 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.849 9.237 0.972 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.356 10.700 0.151 1.00 0.00 H new ATOM 0 HG SER A 39 -5.262 10.715 1.273 1.00 0.00 H new ATOM 645 N ARG A 40 -5.387 10.386 -2.155 1.00 0.00 N ATOM 646 CA ARG A 40 -6.512 10.953 -2.883 1.00 0.00 C ATOM 647 C ARG A 40 -7.320 9.848 -3.558 1.00 0.00 C ATOM 648 O ARG A 40 -8.513 9.697 -3.314 1.00 0.00 O ATOM 649 CB ARG A 40 -6.066 11.980 -3.931 1.00 0.00 C ATOM 650 CG ARG A 40 -5.794 13.373 -3.382 1.00 0.00 C ATOM 651 CD ARG A 40 -5.029 14.206 -4.353 1.00 0.00 C ATOM 652 NE ARG A 40 -5.777 15.381 -4.776 1.00 0.00 N ATOM 653 CZ ARG A 40 -6.355 15.489 -5.974 1.00 0.00 C ATOM 654 NH1 ARG A 40 -6.458 14.445 -6.792 1.00 0.00 N ATOM 655 NH2 ARG A 40 -6.894 16.653 -6.334 1.00 0.00 N ATOM 0 H ARG A 40 -4.472 10.695 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.135 11.471 -2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.162 11.613 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.835 12.051 -4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.739 13.863 -3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.235 13.294 -2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.089 14.519 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.776 13.604 -5.226 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.864 16.161 -4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.091 13.537 -6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.904 14.553 -7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.862 17.449 -5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.339 16.748 -7.247 1.00 0.00 H new ATOM 669 N GLU A 41 -6.623 9.038 -4.347 1.00 0.00 N ATOM 670 CA GLU A 41 -7.267 8.011 -5.151 1.00 0.00 C ATOM 671 C GLU A 41 -7.995 7.011 -4.257 1.00 0.00 C ATOM 672 O GLU A 41 -9.120 6.604 -4.555 1.00 0.00 O ATOM 673 CB GLU A 41 -6.176 7.319 -5.980 1.00 0.00 C ATOM 674 CG GLU A 41 -6.401 6.635 -7.202 1.00 0.00 C ATOM 675 CD GLU A 41 -7.821 6.304 -7.554 1.00 0.00 C ATOM 676 OE1 GLU A 41 -8.325 5.481 -6.760 1.00 0.00 O ATOM 677 OE2 GLU A 41 -8.418 6.775 -8.506 1.00 0.00 O ATOM 0 H GLU A 41 -5.608 9.075 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.013 8.452 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.432 8.085 -6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.705 6.597 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.986 7.240 -8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.834 5.704 -7.177 1.00 0.00 H new ATOM 684 N LEU A 42 -7.414 6.774 -3.082 1.00 0.00 N ATOM 685 CA LEU A 42 -8.028 5.917 -2.086 1.00 0.00 C ATOM 686 C LEU A 42 -9.378 6.492 -1.647 1.00 0.00 C ATOM 687 O LEU A 42 -10.384 5.773 -1.610 1.00 0.00 O ATOM 688 CB LEU A 42 -7.051 5.788 -0.893 1.00 0.00 C ATOM 689 CG LEU A 42 -7.634 5.029 0.300 1.00 0.00 C ATOM 690 CD1 LEU A 42 -7.004 3.660 0.425 1.00 0.00 C ATOM 691 CD2 LEU A 42 -7.455 5.852 1.563 1.00 0.00 C ATOM 0 H LEU A 42 -6.516 7.168 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.222 4.928 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.147 5.280 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.755 6.785 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.701 4.874 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.434 3.138 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.195 3.087 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.929 3.766 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.871 5.310 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.393 6.033 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.972 6.805 1.452 1.00 0.00 H new ATOM 703 N GLU A 43 -9.300 7.652 -0.992 1.00 0.00 N ATOM 704 CA GLU A 43 -10.428 8.211 -0.256 1.00 0.00 C ATOM 705 C GLU A 43 -11.616 8.407 -1.211 1.00 0.00 C ATOM 706 O GLU A 43 -12.758 8.127 -0.858 1.00 0.00 O ATOM 707 CB GLU A 43 -9.991 9.570 0.308 1.00 0.00 C ATOM 708 CG GLU A 43 -8.720 9.871 0.853 1.00 0.00 C ATOM 709 CD GLU A 43 -7.999 11.056 0.279 1.00 0.00 C ATOM 710 OE1 GLU A 43 -8.515 11.870 -0.467 1.00 0.00 O ATOM 711 OE2 GLU A 43 -6.842 11.172 0.734 1.00 0.00 O ATOM 0 H GLU A 43 -8.457 8.225 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.731 7.542 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.144 10.287 -0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.712 9.811 1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.840 10.033 1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.083 8.995 0.732 1.00 0.00 H new ATOM 718 N ARG A 44 -11.261 8.447 -2.503 1.00 0.00 N ATOM 719 CA ARG A 44 -12.245 8.672 -3.547 1.00 0.00 C ATOM 720 C ARG A 44 -12.558 7.382 -4.298 1.00 0.00 C ATOM 721 O ARG A 44 -13.597 7.280 -4.958 1.00 0.00 O ATOM 722 CB ARG A 44 -11.778 9.745 -4.545 1.00 0.00 C ATOM 723 CG ARG A 44 -12.719 10.932 -4.682 1.00 0.00 C ATOM 724 CD ARG A 44 -12.442 11.715 -5.922 1.00 0.00 C ATOM 725 NE ARG A 44 -13.650 11.963 -6.695 1.00 0.00 N ATOM 726 CZ ARG A 44 -14.167 11.076 -7.548 1.00 0.00 C ATOM 727 NH1 ARG A 44 -13.723 9.824 -7.605 1.00 0.00 N ATOM 728 NH2 ARG A 44 -15.189 11.439 -8.324 1.00 0.00 N ATOM 0 H ARG A 44 -10.305 8.326 -2.839 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.151 9.026 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.798 10.108 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.652 9.282 -5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.750 10.579 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.616 11.580 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.982 12.666 -5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.723 11.175 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.125 12.858 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.970 9.521 -6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.136 9.166 -8.266 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.566 12.385 -8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.593 10.771 -8.980 1.00 0.00 H new ATOM 742 N PHE A 45 -11.781 6.340 -4.018 1.00 0.00 N ATOM 743 CA PHE A 45 -12.208 4.963 -4.264 1.00 0.00 C ATOM 744 C PHE A 45 -13.461 4.657 -3.446 1.00 0.00 C ATOM 745 O PHE A 45 -14.540 4.452 -3.991 1.00 0.00 O ATOM 746 CB PHE A 45 -11.127 3.908 -3.919 1.00 0.00 C ATOM 747 CG PHE A 45 -10.480 3.330 -5.147 1.00 0.00 C ATOM 748 CD1 PHE A 45 -11.181 3.034 -6.316 1.00 0.00 C ATOM 749 CD2 PHE A 45 -9.097 3.136 -5.109 1.00 0.00 C ATOM 750 CE1 PHE A 45 -10.499 2.637 -7.472 1.00 0.00 C ATOM 751 CE2 PHE A 45 -8.402 2.731 -6.238 1.00 0.00 C ATOM 752 CZ PHE A 45 -9.100 2.498 -7.425 1.00 0.00 C ATOM 0 H PHE A 45 -10.846 6.422 -3.618 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.404 4.893 -5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.363 4.366 -3.290 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.579 3.105 -3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.258 3.112 -6.329 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -8.561 3.304 -4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -11.039 2.440 -8.386 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.331 2.597 -6.200 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.561 2.208 -8.315 1.00 0.00 H new ATOM 762 N ALA A 46 -13.316 4.750 -2.121 1.00 0.00 N ATOM 763 CA ALA A 46 -14.320 4.171 -1.228 1.00 0.00 C ATOM 764 C ALA A 46 -14.023 4.545 0.223 1.00 0.00 C ATOM 765 O ALA A 46 -14.468 3.857 1.147 1.00 0.00 O ATOM 766 CB ALA A 46 -14.339 2.653 -1.398 1.00 0.00 C ATOM 0 H ALA A 46 -12.534 5.208 -1.653 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.301 4.570 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.087 2.222 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.586 2.406 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.358 2.247 -1.152 1.00 0.00 H new ATOM 772 N VAL A 47 -13.109 5.495 0.412 1.00 0.00 N ATOM 773 CA VAL A 47 -12.310 5.552 1.638 1.00 0.00 C ATOM 774 C VAL A 47 -12.360 6.944 2.247 1.00 0.00 C ATOM 775 O VAL A 47 -12.990 7.859 1.715 1.00 0.00 O ATOM 776 CB VAL A 47 -10.882 5.043 1.360 1.00 0.00 C ATOM 777 CG1 VAL A 47 -10.073 4.868 2.638 1.00 0.00 C ATOM 778 CG2 VAL A 47 -10.890 3.761 0.540 1.00 0.00 C ATOM 0 H VAL A 47 -12.903 6.232 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.734 4.886 2.390 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.389 5.815 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.075 4.508 2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.996 5.825 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.569 4.145 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.865 3.434 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.430 2.985 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.381 3.944 -0.416 1.00 0.00 H new ATOM 788 N ASN A 48 -11.844 7.051 3.471 1.00 0.00 N ATOM 789 CA ASN A 48 -11.573 8.347 4.074 1.00 0.00 C ATOM 790 C ASN A 48 -10.056 8.492 4.323 1.00 0.00 C ATOM 791 O ASN A 48 -9.324 7.492 4.418 1.00 0.00 O ATOM 792 CB ASN A 48 -12.421 8.595 5.313 1.00 0.00 C ATOM 793 CG ASN A 48 -12.088 9.892 6.027 1.00 0.00 C ATOM 794 OD1 ASN A 48 -11.017 10.021 6.637 1.00 0.00 O ATOM 795 ND2 ASN A 48 -13.038 10.826 6.025 1.00 0.00 N ATOM 0 H ASN A 48 -11.607 6.254 4.061 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.869 9.133 3.379 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.473 8.607 5.027 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.289 7.764 6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.900 11.695 6.542 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.903 10.672 5.507 1.00 0.00 H new ATOM 802 N PRO A 49 -9.570 9.741 4.156 1.00 0.00 N ATOM 803 CA PRO A 49 -8.119 10.048 4.228 1.00 0.00 C ATOM 804 C PRO A 49 -7.529 9.903 5.627 1.00 0.00 C ATOM 805 O PRO A 49 -6.400 9.436 5.788 1.00 0.00 O ATOM 806 CB PRO A 49 -7.937 11.451 3.660 1.00 0.00 C ATOM 807 CG PRO A 49 -9.276 11.985 3.250 1.00 0.00 C ATOM 808 CD PRO A 49 -10.303 10.968 3.723 1.00 0.00 C ATOM 0 HA PRO A 49 -7.562 9.317 3.642 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.483 12.104 4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.262 11.427 2.804 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.460 12.961 3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.328 12.117 2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.889 11.373 4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.003 10.731 2.921 1.00 0.00 H new ATOM 816 N GLY A 50 -8.173 10.567 6.586 1.00 0.00 N ATOM 817 CA GLY A 50 -7.789 10.457 7.984 1.00 0.00 C ATOM 818 C GLY A 50 -7.909 9.004 8.454 1.00 0.00 C ATOM 819 O GLY A 50 -6.962 8.475 9.061 1.00 0.00 O ATOM 0 H GLY A 50 -8.965 11.187 6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.765 10.806 8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.425 11.098 8.595 1.00 0.00 H new ATOM 823 N LEU A 51 -8.818 8.293 7.798 1.00 0.00 N ATOM 824 CA LEU A 51 -8.945 6.848 7.956 1.00 0.00 C ATOM 825 C LEU A 51 -7.641 6.157 7.559 1.00 0.00 C ATOM 826 O LEU A 51 -6.916 5.683 8.456 1.00 0.00 O ATOM 827 CB LEU A 51 -10.160 6.433 7.101 1.00 0.00 C ATOM 828 CG LEU A 51 -11.032 5.312 7.616 1.00 0.00 C ATOM 829 CD1 LEU A 51 -12.213 5.059 6.687 1.00 0.00 C ATOM 830 CD2 LEU A 51 -10.194 4.046 7.749 1.00 0.00 C ATOM 0 H LEU A 51 -9.486 8.699 7.143 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.116 6.546 8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.790 7.312 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.794 6.147 6.115 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.429 5.599 8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.821 4.247 7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.818 5.963 6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.846 4.786 5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.819 3.234 8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.787 3.775 6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.376 4.223 8.447 1.00 0.00 H new ATOM 842 N LEU A 52 -7.088 6.639 6.433 1.00 0.00 N ATOM 843 CA LEU A 52 -5.877 6.015 5.892 1.00 0.00 C ATOM 844 C LEU A 52 -4.636 6.689 6.452 1.00 0.00 C ATOM 845 O LEU A 52 -3.581 6.043 6.561 1.00 0.00 O ATOM 846 CB LEU A 52 -6.006 5.964 4.376 1.00 0.00 C ATOM 847 CG LEU A 52 -4.951 6.544 3.475 1.00 0.00 C ATOM 848 CD1 LEU A 52 -4.867 8.059 3.576 1.00 0.00 C ATOM 849 CD2 LEU A 52 -3.596 5.912 3.765 1.00 0.00 C ATOM 0 H LEU A 52 -7.447 7.430 5.899 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.761 4.980 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.113 4.914 4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.945 6.457 4.122 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.242 6.310 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.090 8.426 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.825 8.496 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.626 8.343 4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.844 6.343 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.320 6.103 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.653 4.837 3.597 1.00 0.00 H new ATOM 861 N GLU A 53 -4.865 7.785 7.177 1.00 0.00 N ATOM 862 CA GLU A 53 -3.768 8.535 7.785 1.00 0.00 C ATOM 863 C GLU A 53 -3.283 7.820 9.041 1.00 0.00 C ATOM 864 O GLU A 53 -2.083 7.749 9.304 1.00 0.00 O ATOM 865 CB GLU A 53 -4.268 9.950 8.060 1.00 0.00 C ATOM 866 CG GLU A 53 -4.224 10.644 9.294 1.00 0.00 C ATOM 867 CD GLU A 53 -2.909 10.682 10.014 1.00 0.00 C ATOM 868 OE1 GLU A 53 -2.221 11.675 9.691 1.00 0.00 O ATOM 869 OE2 GLU A 53 -2.557 9.857 10.839 1.00 0.00 O ATOM 0 H GLU A 53 -5.793 8.170 7.356 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.907 8.597 7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.739 10.587 7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.318 9.948 7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.541 11.672 9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.961 10.195 9.960 1.00 0.00 H new ATOM 876 N THR A 54 -4.219 7.181 9.735 1.00 0.00 N ATOM 877 CA THR A 54 -3.880 6.166 10.728 1.00 0.00 C ATOM 878 C THR A 54 -3.451 4.876 10.030 1.00 0.00 C ATOM 879 O THR A 54 -4.156 4.414 9.120 1.00 0.00 O ATOM 880 CB THR A 54 -5.087 5.904 11.720 1.00 0.00 C ATOM 881 OG1 THR A 54 -6.066 5.104 10.996 1.00 0.00 O ATOM 882 CG2 THR A 54 -5.690 7.183 12.305 1.00 0.00 C ATOM 0 H THR A 54 -5.220 7.348 9.628 1.00 0.00 H new ATOM 0 HA THR A 54 -3.046 6.534 11.325 1.00 0.00 H new ATOM 0 HB THR A 54 -4.727 5.368 12.598 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.231 5.505 10.117 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.511 6.925 12.974 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.925 7.725 12.861 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.065 7.811 11.497 1.00 0.00 H new ATOM 890 N SER A 55 -2.625 4.103 10.734 1.00 0.00 N ATOM 891 CA SER A 55 -2.332 2.728 10.386 1.00 0.00 C ATOM 892 C SER A 55 -3.608 1.902 10.262 1.00 0.00 C ATOM 893 O SER A 55 -3.889 1.317 9.208 1.00 0.00 O ATOM 894 CB SER A 55 -1.379 2.092 11.404 1.00 0.00 C ATOM 895 OG SER A 55 -0.039 2.470 11.153 1.00 0.00 O ATOM 0 H SER A 55 -2.139 4.425 11.571 1.00 0.00 H new ATOM 0 HA SER A 55 -1.839 2.736 9.414 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.663 2.396 12.412 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.468 1.006 11.361 1.00 0.00 H new ATOM 0 HG SER A 55 0.370 2.794 11.982 1.00 0.00 H new ATOM 901 N GLU A 56 -4.512 2.115 11.219 1.00 0.00 N ATOM 902 CA GLU A 56 -5.647 1.219 11.386 1.00 0.00 C ATOM 903 C GLU A 56 -6.532 1.245 10.141 1.00 0.00 C ATOM 904 O GLU A 56 -6.651 0.236 9.440 1.00 0.00 O ATOM 905 CB GLU A 56 -6.422 1.679 12.627 1.00 0.00 C ATOM 906 CG GLU A 56 -7.139 0.818 13.497 1.00 0.00 C ATOM 907 CD GLU A 56 -8.636 0.868 13.430 1.00 0.00 C ATOM 908 OE1 GLU A 56 -9.060 0.762 12.260 1.00 0.00 O ATOM 909 OE2 GLU A 56 -9.358 1.061 14.394 1.00 0.00 O ATOM 0 H GLU A 56 -4.478 2.891 11.880 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.311 0.191 11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.702 2.207 13.252 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.142 2.418 12.275 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.826 -0.206 13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.839 1.045 14.520 1.00 0.00 H new ATOM 916 N GLY A 57 -6.895 2.458 9.737 1.00 0.00 N ATOM 917 CA GLY A 57 -7.642 2.665 8.506 1.00 0.00 C ATOM 918 C GLY A 57 -6.808 2.248 7.300 1.00 0.00 C ATOM 919 O GLY A 57 -7.318 1.651 6.355 1.00 0.00 O ATOM 0 H GLY A 57 -6.682 3.315 10.248 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.567 2.088 8.533 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.923 3.714 8.416 1.00 0.00 H new ATOM 923 N CYS A 58 -5.501 2.435 7.430 1.00 0.00 N ATOM 924 CA CYS A 58 -4.553 1.997 6.412 1.00 0.00 C ATOM 925 C CYS A 58 -4.624 0.482 6.244 1.00 0.00 C ATOM 926 O CYS A 58 -4.362 -0.051 5.170 1.00 0.00 O ATOM 927 CB CYS A 58 -3.139 2.454 6.763 1.00 0.00 C ATOM 928 SG CYS A 58 -2.150 3.041 5.374 1.00 0.00 S ATOM 0 H CYS A 58 -5.071 2.890 8.235 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.820 2.455 5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.206 3.252 7.502 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.614 1.624 7.236 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.561 2.032 4.803 1.00 0.00 H new ATOM 933 N ARG A 59 -4.993 -0.189 7.332 1.00 0.00 N ATOM 934 CA ARG A 59 -5.145 -1.633 7.328 1.00 0.00 C ATOM 935 C ARG A 59 -6.571 -2.021 6.943 1.00 0.00 C ATOM 936 O ARG A 59 -6.836 -3.160 6.568 1.00 0.00 O ATOM 937 CB ARG A 59 -4.803 -2.254 8.689 1.00 0.00 C ATOM 938 CG ARG A 59 -4.352 -3.707 8.627 1.00 0.00 C ATOM 939 CD ARG A 59 -5.512 -4.645 8.644 1.00 0.00 C ATOM 940 NE ARG A 59 -5.540 -5.460 9.848 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.048 -5.036 11.008 1.00 0.00 C ATOM 942 NH1 ARG A 59 -6.738 -3.902 11.092 1.00 0.00 N ATOM 943 NH2 ARG A 59 -5.908 -5.794 12.096 1.00 0.00 N ATOM 0 H ARG A 59 -5.192 0.251 8.230 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.443 -2.022 6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.016 -1.662 9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.678 -2.186 9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.767 -3.868 7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.698 -3.922 9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.439 -4.076 8.571 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.466 -5.293 7.769 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.152 -6.402 9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.889 -3.334 10.258 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.116 -3.600 11.990 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.417 -6.686 12.036 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.291 -5.482 12.988 1.00 0.00 H new ATOM 957 N GLN A 60 -7.500 -1.126 7.307 1.00 0.00 N ATOM 958 CA GLN A 60 -8.899 -1.324 6.915 1.00 0.00 C ATOM 959 C GLN A 60 -8.990 -1.205 5.377 1.00 0.00 C ATOM 960 O GLN A 60 -9.416 -2.195 4.753 1.00 0.00 O ATOM 961 CB GLN A 60 -9.852 -0.349 7.589 1.00 0.00 C ATOM 962 CG GLN A 60 -11.300 -0.494 7.154 1.00 0.00 C ATOM 963 CD GLN A 60 -11.942 -1.764 7.656 1.00 0.00 C ATOM 964 OE1 GLN A 60 -12.258 -2.677 6.897 1.00 0.00 O ATOM 965 NE2 GLN A 60 -12.066 -1.850 8.979 1.00 0.00 N ATOM 0 H GLN A 60 -7.316 -0.285 7.854 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.211 -2.315 7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.793 -0.488 8.669 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.521 0.668 7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.870 0.362 7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.350 -0.474 6.065 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.790 -1.065 9.569 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.437 -2.701 9.402 1.00 0.00 H new ATOM 974 N ILE A 61 -8.062 -0.399 4.853 1.00 0.00 N ATOM 975 CA ILE A 61 -7.703 -0.435 3.444 1.00 0.00 C ATOM 976 C ILE A 61 -6.914 -1.705 3.129 1.00 0.00 C ATOM 977 O ILE A 61 -7.293 -2.448 2.221 1.00 0.00 O ATOM 978 CB ILE A 61 -6.961 0.873 3.011 1.00 0.00 C ATOM 979 CG1 ILE A 61 -7.845 2.115 3.251 1.00 0.00 C ATOM 980 CG2 ILE A 61 -6.364 0.796 1.587 1.00 0.00 C ATOM 981 CD1 ILE A 61 -9.351 1.983 2.948 1.00 0.00 C ATOM 0 H ILE A 61 -7.544 0.292 5.396 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.615 -0.471 2.848 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.089 0.980 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.736 2.409 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.450 2.932 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.864 1.735 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.644 -0.021 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.163 0.619 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.849 2.929 3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.490 1.728 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.780 1.198 3.571 1.00 0.00 H new ATOM 993 N LEU A 62 -5.685 -1.760 3.637 1.00 0.00 N ATOM 994 CA LEU A 62 -4.633 -2.567 3.030 1.00 0.00 C ATOM 995 C LEU A 62 -5.046 -4.040 3.001 1.00 0.00 C ATOM 996 O LEU A 62 -4.743 -4.736 2.020 1.00 0.00 O ATOM 997 CB LEU A 62 -3.319 -2.292 3.762 1.00 0.00 C ATOM 998 CG LEU A 62 -2.080 -3.012 3.238 1.00 0.00 C ATOM 999 CD1 LEU A 62 -1.953 -2.820 1.733 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -0.856 -2.454 3.952 1.00 0.00 C ATOM 0 H LEU A 62 -5.394 -1.252 4.472 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.476 -2.294 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.129 -1.219 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.451 -2.560 4.810 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.163 -4.081 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.065 -3.339 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.835 -3.226 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.868 -1.757 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.039 -2.959 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.775 -1.385 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.954 -2.618 5.025 1.00 0.00 H new ATOM 1012 N GLY A 63 -6.125 -4.318 3.743 1.00 0.00 N ATOM 1013 CA GLY A 63 -6.741 -5.634 3.741 1.00 0.00 C ATOM 1014 C GLY A 63 -8.003 -5.643 2.883 1.00 0.00 C ATOM 1015 O GLY A 63 -8.202 -6.546 2.066 1.00 0.00 O ATOM 0 H GLY A 63 -6.585 -3.641 4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.033 -6.371 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.988 -5.926 4.762 1.00 0.00 H new ATOM 1019 N GLN A 64 -8.706 -4.517 2.888 1.00 0.00 N ATOM 1020 CA GLN A 64 -9.754 -4.230 1.929 1.00 0.00 C ATOM 1021 C GLN A 64 -9.238 -4.337 0.489 1.00 0.00 C ATOM 1022 O GLN A 64 -10.036 -4.290 -0.453 1.00 0.00 O ATOM 1023 CB GLN A 64 -10.387 -2.847 2.153 1.00 0.00 C ATOM 1024 CG GLN A 64 -11.571 -2.866 3.095 1.00 0.00 C ATOM 1025 CD GLN A 64 -12.889 -2.619 2.402 1.00 0.00 C ATOM 1026 OE1 GLN A 64 -13.678 -1.763 2.789 1.00 0.00 O ATOM 1027 NE2 GLN A 64 -13.119 -3.387 1.338 1.00 0.00 N ATOM 0 H GLN A 64 -8.559 -3.771 3.568 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.526 -4.983 2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.630 -2.170 2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.705 -2.443 1.192 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.609 -3.831 3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.426 -2.109 3.865 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.432 -4.086 1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.982 -3.276 0.806 1.00 0.00 H new ATOM 1036 N LEU A 65 -7.928 -4.175 0.325 1.00 0.00 N ATOM 1037 CA LEU A 65 -7.364 -3.646 -0.921 1.00 0.00 C ATOM 1038 C LEU A 65 -6.520 -4.715 -1.607 1.00 0.00 C ATOM 1039 O LEU A 65 -6.705 -4.970 -2.802 1.00 0.00 O ATOM 1040 CB LEU A 65 -6.599 -2.362 -0.580 1.00 0.00 C ATOM 1041 CG LEU A 65 -6.267 -1.420 -1.728 1.00 0.00 C ATOM 1042 CD1 LEU A 65 -7.432 -0.481 -2.008 1.00 0.00 C ATOM 1043 CD2 LEU A 65 -5.027 -0.616 -1.349 1.00 0.00 C ATOM 0 H LEU A 65 -7.234 -4.401 1.037 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.138 -3.386 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.183 -1.806 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.665 -2.645 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.079 -1.999 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.173 0.184 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.313 -1.064 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.645 0.111 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.773 0.066 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.227 -0.043 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.193 -1.295 -1.172 1.00 0.00 H new ATOM 1055 N GLN A 66 -5.950 -5.596 -0.777 1.00 0.00 N ATOM 1056 CA GLN A 66 -5.119 -6.680 -1.268 1.00 0.00 C ATOM 1057 C GLN A 66 -5.943 -7.591 -2.214 1.00 0.00 C ATOM 1058 O GLN A 66 -5.773 -7.505 -3.452 1.00 0.00 O ATOM 1059 CB GLN A 66 -4.501 -7.519 -0.151 1.00 0.00 C ATOM 1060 CG GLN A 66 -3.067 -7.937 -0.415 1.00 0.00 C ATOM 1061 CD GLN A 66 -2.910 -8.742 -1.684 1.00 0.00 C ATOM 1062 OE1 GLN A 66 -1.872 -8.719 -2.341 1.00 0.00 O ATOM 1063 NE2 GLN A 66 -3.900 -9.599 -1.934 1.00 0.00 N ATOM 0 H GLN A 66 -6.054 -5.572 0.237 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.293 -6.220 -1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.538 -6.951 0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.108 -8.412 -0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.441 -7.047 -0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.705 -8.525 0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.745 -9.583 -1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.813 -10.271 -2.697 1.00 0.00 H new ATOM 1072 N PRO A 67 -7.073 -8.088 -1.674 1.00 0.00 N ATOM 1073 CA PRO A 67 -8.154 -8.697 -2.498 1.00 0.00 C ATOM 1074 C PRO A 67 -8.673 -7.772 -3.594 1.00 0.00 C ATOM 1075 O PRO A 67 -8.787 -8.155 -4.757 1.00 0.00 O ATOM 1076 CB PRO A 67 -9.238 -9.143 -1.529 1.00 0.00 C ATOM 1077 CG PRO A 67 -8.788 -8.849 -0.127 1.00 0.00 C ATOM 1078 CD PRO A 67 -7.566 -7.951 -0.269 1.00 0.00 C ATOM 0 HA PRO A 67 -7.767 -9.550 -3.055 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.172 -8.622 -1.742 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.433 -10.209 -1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.575 -8.353 0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.540 -9.767 0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.824 -6.914 -0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.791 -8.242 0.440 1.00 0.00 H new ATOM 1086 N SER A 68 -8.924 -6.524 -3.201 1.00 0.00 N ATOM 1087 CA SER A 68 -9.617 -5.580 -4.057 1.00 0.00 C ATOM 1088 C SER A 68 -8.713 -5.065 -5.169 1.00 0.00 C ATOM 1089 O SER A 68 -9.171 -4.369 -6.077 1.00 0.00 O ATOM 1090 CB SER A 68 -10.214 -4.427 -3.255 1.00 0.00 C ATOM 1091 OG SER A 68 -11.031 -3.603 -4.066 1.00 0.00 O ATOM 0 H SER A 68 -8.654 -6.149 -2.292 1.00 0.00 H new ATOM 0 HA SER A 68 -10.442 -6.117 -4.525 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.802 -4.823 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.412 -3.831 -2.819 1.00 0.00 H new ATOM 0 HG SER A 68 -11.256 -4.078 -4.893 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.493 -5.590 -5.199 1.00 0.00 N ATOM 1098 CA LEU A 69 -6.549 -5.286 -6.265 1.00 0.00 C ATOM 1099 C LEU A 69 -6.915 -6.064 -7.530 1.00 0.00 C ATOM 1100 O LEU A 69 -7.063 -5.457 -8.598 1.00 0.00 O ATOM 1101 CB LEU A 69 -5.135 -5.583 -5.742 1.00 0.00 C ATOM 1102 CG LEU A 69 -4.616 -4.672 -4.640 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -3.292 -5.170 -4.086 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -4.457 -3.265 -5.208 1.00 0.00 C ATOM 0 H LEU A 69 -7.134 -6.232 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.587 -4.234 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.115 -6.609 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.442 -5.532 -6.582 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.330 -4.667 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.950 -4.496 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.423 -6.170 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.552 -5.201 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.085 -2.598 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.750 -3.285 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.422 -2.905 -5.563 1.00 0.00 H new ATOM 1116 N GLN A 70 -7.471 -7.255 -7.303 1.00 0.00 N ATOM 1117 CA GLN A 70 -8.047 -8.051 -8.376 1.00 0.00 C ATOM 1118 C GLN A 70 -9.226 -7.318 -9.008 1.00 0.00 C ATOM 1119 O GLN A 70 -9.681 -7.669 -10.093 1.00 0.00 O ATOM 1120 CB GLN A 70 -8.429 -9.464 -7.942 1.00 0.00 C ATOM 1121 CG GLN A 70 -9.643 -9.534 -7.036 1.00 0.00 C ATOM 1122 CD GLN A 70 -10.734 -10.427 -7.575 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -11.922 -10.124 -7.495 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -10.321 -11.599 -8.054 1.00 0.00 N ATOM 0 H GLN A 70 -7.532 -7.687 -6.381 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.269 -8.178 -9.129 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.619 -10.065 -8.831 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.580 -9.915 -7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.336 -9.897 -6.055 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.041 -8.529 -6.894 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.324 -11.808 -8.102 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.002 -12.288 -8.373 1.00 0.00 H new ATOM 1133 N THR A 71 -9.722 -6.311 -8.293 1.00 0.00 N ATOM 1134 CA THR A 71 -10.980 -5.668 -8.653 1.00 0.00 C ATOM 1135 C THR A 71 -10.756 -4.206 -9.020 1.00 0.00 C ATOM 1136 O THR A 71 -11.668 -3.531 -9.501 1.00 0.00 O ATOM 1137 CB THR A 71 -12.057 -5.813 -7.502 1.00 0.00 C ATOM 1138 OG1 THR A 71 -11.696 -4.847 -6.468 1.00 0.00 O ATOM 1139 CG2 THR A 71 -12.168 -7.233 -6.940 1.00 0.00 C ATOM 0 H THR A 71 -9.272 -5.924 -7.463 1.00 0.00 H new ATOM 0 HA THR A 71 -11.375 -6.179 -9.531 1.00 0.00 H new ATOM 0 HB THR A 71 -13.049 -5.611 -7.906 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.764 -4.570 -6.590 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.925 -7.256 -6.156 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.451 -7.919 -7.738 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.207 -7.536 -6.525 1.00 0.00 H new ATOM 1147 N GLY A 72 -9.639 -3.672 -8.534 1.00 0.00 N ATOM 1148 CA GLY A 72 -9.341 -2.252 -8.652 1.00 0.00 C ATOM 1149 C GLY A 72 -8.578 -1.980 -9.944 1.00 0.00 C ATOM 1150 O GLY A 72 -9.126 -1.455 -10.909 1.00 0.00 O ATOM 0 H GLY A 72 -8.920 -4.210 -8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.267 -1.676 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.750 -1.924 -7.796 1.00 0.00 H new ATOM 1154 N SER A 73 -7.255 -2.131 -9.856 1.00 0.00 N ATOM 1155 CA SER A 73 -6.393 -2.001 -11.022 1.00 0.00 C ATOM 1156 C SER A 73 -4.929 -2.213 -10.614 1.00 0.00 C ATOM 1157 O SER A 73 -4.591 -2.053 -9.440 1.00 0.00 O ATOM 1158 CB SER A 73 -6.567 -0.659 -11.720 1.00 0.00 C ATOM 1159 OG SER A 73 -6.544 0.412 -10.793 1.00 0.00 O ATOM 0 H SER A 73 -6.762 -2.343 -8.989 1.00 0.00 H new ATOM 0 HA SER A 73 -6.684 -2.770 -11.737 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.773 -0.524 -12.455 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.511 -0.650 -12.265 1.00 0.00 H new ATOM 0 HG SER A 73 -7.384 0.426 -10.288 1.00 0.00 H new ATOM 1165 N GLU A 74 -4.061 -2.248 -11.620 1.00 0.00 N ATOM 1166 CA GLU A 74 -2.637 -1.993 -11.423 1.00 0.00 C ATOM 1167 C GLU A 74 -2.431 -0.558 -10.929 1.00 0.00 C ATOM 1168 O GLU A 74 -1.551 -0.311 -10.100 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.936 -2.222 -12.765 1.00 0.00 C ATOM 1170 CG GLU A 74 -0.534 -2.144 -12.971 1.00 0.00 C ATOM 1171 CD GLU A 74 0.259 -3.401 -12.769 1.00 0.00 C ATOM 1172 OE1 GLU A 74 0.617 -3.816 -11.680 1.00 0.00 O ATOM 1173 OE2 GLU A 74 0.579 -3.937 -13.851 1.00 0.00 O ATOM 0 H GLU A 74 -4.320 -2.452 -12.585 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.219 -2.662 -10.671 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.233 -3.219 -13.092 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.382 -1.512 -13.462 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.361 -1.795 -13.989 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.136 -1.382 -12.301 1.00 0.00 H new ATOM 1180 N GLU A 75 -3.483 0.241 -11.119 1.00 0.00 N ATOM 1181 CA GLU A 75 -3.526 1.593 -10.586 1.00 0.00 C ATOM 1182 C GLU A 75 -3.811 1.566 -9.085 1.00 0.00 C ATOM 1183 O GLU A 75 -3.183 2.304 -8.323 1.00 0.00 O ATOM 1184 CB GLU A 75 -4.613 2.362 -11.346 1.00 0.00 C ATOM 1185 CG GLU A 75 -4.933 2.168 -12.715 1.00 0.00 C ATOM 1186 CD GLU A 75 -4.847 3.364 -13.614 1.00 0.00 C ATOM 1187 OE1 GLU A 75 -5.531 4.366 -13.490 1.00 0.00 O ATOM 1188 OE2 GLU A 75 -3.954 3.240 -14.480 1.00 0.00 O ATOM 0 H GLU A 75 -4.316 -0.031 -11.641 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.564 2.088 -10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.539 2.198 -10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.363 3.418 -11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.270 1.399 -13.111 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.948 1.774 -12.772 1.00 0.00 H new ATOM 1195 N LEU A 76 -4.523 0.521 -8.661 1.00 0.00 N ATOM 1196 CA LEU A 76 -4.653 0.200 -7.253 1.00 0.00 C ATOM 1197 C LEU A 76 -3.365 -0.428 -6.721 1.00 0.00 C ATOM 1198 O LEU A 76 -3.267 -0.694 -5.515 1.00 0.00 O ATOM 1199 CB LEU A 76 -5.894 -0.676 -7.039 1.00 0.00 C ATOM 1200 CG LEU A 76 -6.821 -0.346 -5.888 1.00 0.00 C ATOM 1201 CD1 LEU A 76 -7.803 -1.487 -5.630 1.00 0.00 C ATOM 1202 CD2 LEU A 76 -6.019 -0.078 -4.619 1.00 0.00 C ATOM 0 H LEU A 76 -5.019 -0.117 -9.283 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.801 1.111 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.482 -0.648 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.556 -1.704 -6.908 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.382 0.548 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.457 -1.223 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.404 -1.659 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.251 -2.394 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.700 0.158 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.437 -0.963 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.346 0.763 -4.785 1.00 0.00 H new ATOM 1214 N ARG A 77 -2.618 -1.035 -7.642 1.00 0.00 N ATOM 1215 CA ARG A 77 -1.340 -1.639 -7.294 1.00 0.00 C ATOM 1216 C ARG A 77 -0.355 -0.562 -6.837 1.00 0.00 C ATOM 1217 O ARG A 77 0.350 -0.743 -5.843 1.00 0.00 O ATOM 1218 CB ARG A 77 -0.738 -2.429 -8.461 1.00 0.00 C ATOM 1219 CG ARG A 77 0.224 -3.536 -8.050 1.00 0.00 C ATOM 1220 CD ARG A 77 0.057 -4.752 -8.896 1.00 0.00 C ATOM 1221 NE ARG A 77 1.328 -5.404 -9.177 1.00 0.00 N ATOM 1222 CZ ARG A 77 2.149 -5.847 -8.221 1.00 0.00 C ATOM 1223 NH1 ARG A 77 1.765 -5.911 -6.950 1.00 0.00 N ATOM 1224 NH2 ARG A 77 3.362 -6.288 -8.558 1.00 0.00 N ATOM 0 H ARG A 77 -2.875 -1.120 -8.625 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.525 -2.340 -6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.549 -2.868 -9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.214 -1.736 -9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.250 -3.175 -8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.057 -3.794 -7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.607 -5.455 -8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.424 -4.477 -9.835 1.00 0.00 H new ATOM 0 HE ARG A 77 1.605 -5.529 -10.151 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.824 -5.618 -6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.411 -6.253 -6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.653 -6.284 -9.536 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.999 -6.629 -7.838 1.00 0.00 H new ATOM 1238 N SER A 78 -0.584 0.648 -7.351 1.00 0.00 N ATOM 1239 CA SER A 78 0.155 1.822 -6.914 1.00 0.00 C ATOM 1240 C SER A 78 -0.414 2.358 -5.606 1.00 0.00 C ATOM 1241 O SER A 78 0.320 2.806 -4.725 1.00 0.00 O ATOM 1242 CB SER A 78 0.177 2.901 -7.990 1.00 0.00 C ATOM 1243 OG SER A 78 1.287 2.748 -8.856 1.00 0.00 O ATOM 0 H SER A 78 -1.280 0.835 -8.073 1.00 0.00 H new ATOM 0 HA SER A 78 1.188 1.521 -6.738 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.746 2.858 -8.569 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.213 3.884 -7.520 1.00 0.00 H new ATOM 0 HG SER A 78 1.271 3.454 -9.536 1.00 0.00 H new ATOM 1249 N LEU A 79 -1.740 2.389 -5.531 1.00 0.00 N ATOM 1250 CA LEU A 79 -2.428 2.692 -4.284 1.00 0.00 C ATOM 1251 C LEU A 79 -2.094 1.641 -3.227 1.00 0.00 C ATOM 1252 O LEU A 79 -1.809 1.994 -2.075 1.00 0.00 O ATOM 1253 CB LEU A 79 -3.927 2.825 -4.582 1.00 0.00 C ATOM 1254 CG LEU A 79 -4.488 4.234 -4.695 1.00 0.00 C ATOM 1255 CD1 LEU A 79 -3.634 5.092 -5.615 1.00 0.00 C ATOM 1256 CD2 LEU A 79 -5.913 4.143 -5.236 1.00 0.00 C ATOM 0 H LEU A 79 -2.359 2.208 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.093 3.640 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.134 2.302 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.476 2.304 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.485 4.703 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.059 6.094 -5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.620 5.152 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.610 4.646 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.333 5.145 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.900 3.667 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.524 3.552 -4.554 1.00 0.00 H new ATOM 1268 N TYR A 80 -1.708 0.459 -3.712 1.00 0.00 N ATOM 1269 CA TYR A 80 -1.483 -0.675 -2.823 1.00 0.00 C ATOM 1270 C TYR A 80 -0.114 -0.556 -2.155 1.00 0.00 C ATOM 1271 O TYR A 80 0.025 -0.900 -0.975 1.00 0.00 O ATOM 1272 CB TYR A 80 -1.613 -2.011 -3.581 1.00 0.00 C ATOM 1273 CG TYR A 80 -1.300 -3.238 -2.754 1.00 0.00 C ATOM 1274 CD1 TYR A 80 -2.116 -3.615 -1.679 1.00 0.00 C ATOM 1275 CD2 TYR A 80 -0.066 -3.879 -2.887 1.00 0.00 C ATOM 1276 CE1 TYR A 80 -1.835 -4.763 -0.938 1.00 0.00 C ATOM 1277 CE2 TYR A 80 0.263 -4.983 -2.107 1.00 0.00 C ATOM 1278 CZ TYR A 80 -0.615 -5.411 -1.120 1.00 0.00 C ATOM 1279 OH TYR A 80 -0.298 -6.553 -0.436 1.00 0.00 O ATOM 0 H TYR A 80 -1.548 0.266 -4.701 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.250 -0.662 -2.048 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.629 -2.098 -3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.947 -1.991 -4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.972 -3.010 -1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.647 -3.510 -3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.556 -5.146 -0.230 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.195 -5.504 -2.268 1.00 0.00 H new ATOM 0 HH TYR A 80 0.596 -6.855 -0.701 1.00 0.00 H new ATOM 1289 N ASN A 81 0.916 -0.530 -3.010 1.00 0.00 N ATOM 1290 CA ASN A 81 2.289 -0.462 -2.534 1.00 0.00 C ATOM 1291 C ASN A 81 2.510 0.833 -1.748 1.00 0.00 C ATOM 1292 O ASN A 81 3.120 0.811 -0.679 1.00 0.00 O ATOM 1293 CB ASN A 81 3.300 -0.686 -3.650 1.00 0.00 C ATOM 1294 CG ASN A 81 3.084 0.212 -4.859 1.00 0.00 C ATOM 1295 OD1 ASN A 81 2.389 1.242 -4.750 1.00 0.00 O ATOM 1296 ND2 ASN A 81 3.932 0.032 -5.875 1.00 0.00 N ATOM 0 H ASN A 81 0.819 -0.555 -4.025 1.00 0.00 H new ATOM 0 HA ASN A 81 2.460 -1.287 -1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.303 -0.518 -3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.252 -1.727 -3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.027 0.750 -6.594 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.485 -0.823 -5.932 1.00 0.00 H new ATOM 1303 N THR A 82 1.689 1.833 -2.089 1.00 0.00 N ATOM 1304 CA THR A 82 1.826 3.145 -1.474 1.00 0.00 C ATOM 1305 C THR A 82 0.813 3.348 -0.354 1.00 0.00 C ATOM 1306 O THR A 82 1.003 4.246 0.481 1.00 0.00 O ATOM 1307 CB THR A 82 1.736 4.307 -2.548 1.00 0.00 C ATOM 1308 OG1 THR A 82 2.843 4.112 -3.474 1.00 0.00 O ATOM 1309 CG2 THR A 82 1.773 5.711 -1.927 1.00 0.00 C ATOM 0 H THR A 82 0.938 1.756 -2.775 1.00 0.00 H new ATOM 0 HA THR A 82 2.820 3.188 -1.029 1.00 0.00 H new ATOM 0 HB THR A 82 0.774 4.253 -3.058 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.470 3.457 -3.102 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.708 6.460 -2.716 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.932 5.829 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.706 5.842 -1.379 1.00 0.00 H new ATOM 1317 N ILE A 83 -0.033 2.344 -0.142 1.00 0.00 N ATOM 1318 CA ILE A 83 -0.749 2.185 1.119 1.00 0.00 C ATOM 1319 C ILE A 83 0.123 1.419 2.120 1.00 0.00 C ATOM 1320 O ILE A 83 -0.095 1.550 3.335 1.00 0.00 O ATOM 1321 CB ILE A 83 -2.153 1.536 0.904 1.00 0.00 C ATOM 1322 CG1 ILE A 83 -3.111 1.984 2.053 1.00 0.00 C ATOM 1323 CG2 ILE A 83 -2.129 0.000 0.775 1.00 0.00 C ATOM 1324 CD1 ILE A 83 -3.465 3.486 2.017 1.00 0.00 C ATOM 0 H ILE A 83 -0.240 1.623 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.945 3.169 1.545 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.520 1.894 -0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.031 1.402 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.647 1.752 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.144 -0.369 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.513 -0.284 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.713 -0.435 1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.133 3.722 2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.553 4.077 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.958 3.721 1.074 1.00 0.00 H new ATOM 1336 N ALA A 84 0.737 0.350 1.612 1.00 0.00 N ATOM 1337 CA ALA A 84 1.532 -0.535 2.447 1.00 0.00 C ATOM 1338 C ALA A 84 2.863 0.129 2.805 1.00 0.00 C ATOM 1339 O ALA A 84 3.325 -0.014 3.942 1.00 0.00 O ATOM 1340 CB ALA A 84 1.755 -1.877 1.762 1.00 0.00 C ATOM 0 H ALA A 84 0.696 0.081 0.629 1.00 0.00 H new ATOM 0 HA ALA A 84 0.984 -0.724 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.353 -2.520 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.793 -2.351 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.280 -1.722 0.819 1.00 0.00 H new ATOM 1346 N VAL A 85 3.276 1.078 1.968 1.00 0.00 N ATOM 1347 CA VAL A 85 4.234 2.104 2.396 1.00 0.00 C ATOM 1348 C VAL A 85 3.607 2.966 3.484 1.00 0.00 C ATOM 1349 O VAL A 85 4.177 3.117 4.564 1.00 0.00 O ATOM 1350 CB VAL A 85 4.803 2.864 1.194 1.00 0.00 C ATOM 1351 CG1 VAL A 85 5.614 4.099 1.586 1.00 0.00 C ATOM 1352 CG2 VAL A 85 5.635 1.952 0.297 1.00 0.00 C ATOM 0 H VAL A 85 2.969 1.161 0.999 1.00 0.00 H new ATOM 0 HA VAL A 85 5.110 1.645 2.854 1.00 0.00 H new ATOM 0 HB VAL A 85 3.936 3.216 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.987 4.590 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.979 4.791 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.455 3.799 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.023 2.525 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.466 1.540 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.011 1.139 -0.074 1.00 0.00 H new ATOM 1362 N LEU A 86 2.478 3.589 3.154 1.00 0.00 N ATOM 1363 CA LEU A 86 1.908 4.623 4.004 1.00 0.00 C ATOM 1364 C LEU A 86 1.367 4.008 5.299 1.00 0.00 C ATOM 1365 O LEU A 86 1.417 4.659 6.348 1.00 0.00 O ATOM 1366 CB LEU A 86 0.880 5.426 3.210 1.00 0.00 C ATOM 1367 CG LEU A 86 0.472 6.787 3.750 1.00 0.00 C ATOM 1368 CD1 LEU A 86 1.672 7.594 4.224 1.00 0.00 C ATOM 1369 CD2 LEU A 86 -0.254 7.550 2.643 1.00 0.00 C ATOM 0 H LEU A 86 1.944 3.395 2.307 1.00 0.00 H new ATOM 0 HA LEU A 86 2.675 5.332 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.272 5.569 2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.020 4.819 3.118 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.180 6.637 4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.335 8.559 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.184 7.052 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.358 7.750 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.554 8.530 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.412 7.673 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.138 6.992 2.336 1.00 0.00 H new ATOM 1381 N TYR A 87 1.299 2.672 5.282 1.00 0.00 N ATOM 1382 CA TYR A 87 1.163 1.892 6.500 1.00 0.00 C ATOM 1383 C TYR A 87 2.484 1.853 7.260 1.00 0.00 C ATOM 1384 O TYR A 87 2.569 2.359 8.386 1.00 0.00 O ATOM 1385 CB TYR A 87 0.617 0.480 6.245 1.00 0.00 C ATOM 1386 CG TYR A 87 0.171 -0.224 7.533 1.00 0.00 C ATOM 1387 CD1 TYR A 87 1.090 -0.460 8.560 1.00 0.00 C ATOM 1388 CD2 TYR A 87 -1.189 -0.228 7.861 1.00 0.00 C ATOM 1389 CE1 TYR A 87 0.667 -0.816 9.841 1.00 0.00 C ATOM 1390 CE2 TYR A 87 -1.628 -0.578 9.134 1.00 0.00 C ATOM 1391 CZ TYR A 87 -0.697 -0.914 10.109 1.00 0.00 C ATOM 1392 OH TYR A 87 -1.165 -1.272 11.342 1.00 0.00 O ATOM 0 H TYR A 87 1.337 2.113 4.429 1.00 0.00 H new ATOM 0 HA TYR A 87 0.421 2.393 7.121 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.227 0.540 5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.385 -0.119 5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.147 -0.365 8.358 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.914 0.047 7.109 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.390 -1.014 10.618 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.684 -0.588 9.362 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.145 -1.283 11.329 1.00 0.00 H new ATOM 1402 N CYS A 88 3.556 1.545 6.538 1.00 0.00 N ATOM 1403 CA CYS A 88 4.900 1.543 7.082 1.00 0.00 C ATOM 1404 C CYS A 88 5.236 2.903 7.714 1.00 0.00 C ATOM 1405 O CYS A 88 5.484 2.987 8.915 1.00 0.00 O ATOM 1406 CB CYS A 88 5.921 1.221 5.985 1.00 0.00 C ATOM 1407 SG CYS A 88 6.632 -0.428 6.036 1.00 0.00 S ATOM 0 H CYS A 88 3.511 1.288 5.552 1.00 0.00 H new ATOM 0 HA CYS A 88 4.948 0.775 7.854 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.441 1.359 5.016 1.00 0.00 H new ATOM 0 HB3 CYS A 88 6.731 1.947 6.045 1.00 0.00 H new ATOM 0 HG CYS A 88 6.675 -0.844 7.267 1.00 0.00 H new ATOM 1412 N VAL A 89 4.906 3.950 6.966 1.00 0.00 N ATOM 1413 CA VAL A 89 5.193 5.311 7.394 1.00 0.00 C ATOM 1414 C VAL A 89 4.361 5.652 8.632 1.00 0.00 C ATOM 1415 O VAL A 89 4.930 5.848 9.720 1.00 0.00 O ATOM 1416 CB VAL A 89 4.995 6.300 6.231 1.00 0.00 C ATOM 1417 CG1 VAL A 89 5.607 7.667 6.515 1.00 0.00 C ATOM 1418 CG2 VAL A 89 5.511 5.744 4.912 1.00 0.00 C ATOM 0 H VAL A 89 4.440 3.881 6.061 1.00 0.00 H new ATOM 0 HA VAL A 89 6.240 5.395 7.684 1.00 0.00 H new ATOM 0 HB VAL A 89 3.918 6.438 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.439 8.325 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.142 8.096 7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.678 7.558 6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.350 6.476 4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.577 5.532 4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.976 4.825 4.670 1.00 0.00 H new ATOM 1428 N HIS A 90 3.074 5.320 8.538 1.00 0.00 N ATOM 1429 CA HIS A 90 2.163 5.508 9.660 1.00 0.00 C ATOM 1430 C HIS A 90 2.610 4.654 10.850 1.00 0.00 C ATOM 1431 O HIS A 90 2.071 4.788 11.948 1.00 0.00 O ATOM 1432 CB HIS A 90 0.688 5.173 9.335 1.00 0.00 C ATOM 1433 CG HIS A 90 0.062 6.151 8.386 1.00 0.00 C ATOM 1434 ND1 HIS A 90 0.434 7.466 8.277 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -0.844 5.932 7.398 1.00 0.00 C ATOM 1436 CE1 HIS A 90 -0.199 8.012 7.250 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -0.977 7.105 6.703 1.00 0.00 N ATOM 0 H HIS A 90 2.644 4.923 7.703 1.00 0.00 H new ATOM 0 HA HIS A 90 2.206 6.571 9.899 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.634 4.173 8.905 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.113 5.154 10.261 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.363 5.006 7.198 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.093 9.034 6.917 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.581 7.251 5.894 1.00 0.00 H new ATOM 1446 N GLN A 91 3.407 3.634 10.551 1.00 0.00 N ATOM 1447 CA GLN A 91 3.611 2.518 11.463 1.00 0.00 C ATOM 1448 C GLN A 91 4.999 2.553 12.089 1.00 0.00 C ATOM 1449 O GLN A 91 5.310 1.680 12.902 1.00 0.00 O ATOM 1450 CB GLN A 91 3.353 1.162 10.791 1.00 0.00 C ATOM 1451 CG GLN A 91 3.411 -0.017 11.736 1.00 0.00 C ATOM 1452 CD GLN A 91 2.532 0.146 12.950 1.00 0.00 C ATOM 1453 OE1 GLN A 91 2.948 -0.057 14.088 1.00 0.00 O ATOM 1454 NE2 GLN A 91 1.273 0.496 12.696 1.00 0.00 N ATOM 0 H GLN A 91 3.926 3.559 9.676 1.00 0.00 H new ATOM 0 HA GLN A 91 2.876 2.632 12.259 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.372 1.185 10.316 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.088 1.016 9.999 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.114 -0.918 11.200 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.441 -0.164 12.060 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.972 0.654 11.734 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.610 0.606 13.463 1.00 0.00 H new ATOM 1463 N ARG A 92 5.682 3.680 11.954 1.00 0.00 N ATOM 1464 CA ARG A 92 7.000 3.903 12.470 1.00 0.00 C ATOM 1465 C ARG A 92 8.096 3.443 11.512 1.00 0.00 C ATOM 1466 O ARG A 92 9.276 3.718 11.747 1.00 0.00 O ATOM 1467 CB ARG A 92 7.277 3.352 13.867 1.00 0.00 C ATOM 1468 CG ARG A 92 8.616 3.735 14.468 1.00 0.00 C ATOM 1469 CD ARG A 92 8.838 5.210 14.445 1.00 0.00 C ATOM 1470 NE ARG A 92 7.674 5.948 14.913 1.00 0.00 N ATOM 1471 CZ ARG A 92 7.559 6.424 16.154 1.00 0.00 C ATOM 1472 NH1 ARG A 92 8.427 6.098 17.108 1.00 0.00 N ATOM 1473 NH2 ARG A 92 6.522 7.204 16.459 1.00 0.00 N ATOM 0 H ARG A 92 5.307 4.489 11.460 1.00 0.00 H new ATOM 0 HA ARG A 92 7.027 4.988 12.567 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.487 3.694 14.536 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.214 2.265 13.828 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.668 3.377 15.496 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.416 3.239 13.917 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.697 5.456 15.069 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.081 5.523 13.430 1.00 0.00 H new ATOM 0 HE ARG A 92 6.908 6.109 14.259 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.203 5.470 16.898 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.316 6.476 18.049 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.828 7.431 15.747 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.423 7.574 17.404 1.00 0.00 H new ATOM 1487 N ILE A 93 7.730 2.507 10.633 1.00 0.00 N ATOM 1488 CA ILE A 93 8.657 2.083 9.584 1.00 0.00 C ATOM 1489 C ILE A 93 8.796 3.197 8.545 1.00 0.00 C ATOM 1490 O ILE A 93 7.823 3.857 8.188 1.00 0.00 O ATOM 1491 CB ILE A 93 8.199 0.732 8.932 1.00 0.00 C ATOM 1492 CG1 ILE A 93 7.757 -0.263 10.036 1.00 0.00 C ATOM 1493 CG2 ILE A 93 9.278 0.112 8.011 1.00 0.00 C ATOM 1494 CD1 ILE A 93 6.384 0.059 10.675 1.00 0.00 C ATOM 0 H ILE A 93 6.823 2.040 10.625 1.00 0.00 H new ATOM 0 HA ILE A 93 9.636 1.899 10.027 1.00 0.00 H new ATOM 0 HB ILE A 93 7.348 0.951 8.288 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.720 -1.266 9.610 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.514 -0.277 10.820 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.904 -0.821 7.589 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.511 0.807 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.180 -0.088 8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.153 -0.686 11.436 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.419 1.047 11.134 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.612 0.043 9.906 1.00 0.00 H new ATOM 1506 N ASP A 94 10.015 3.377 8.039 1.00 0.00 N ATOM 1507 CA ASP A 94 10.190 3.977 6.713 1.00 0.00 C ATOM 1508 C ASP A 94 11.083 3.086 5.854 1.00 0.00 C ATOM 1509 O ASP A 94 11.897 2.324 6.372 1.00 0.00 O ATOM 1510 CB ASP A 94 10.634 5.429 6.787 1.00 0.00 C ATOM 1511 CG ASP A 94 9.686 6.319 7.567 1.00 0.00 C ATOM 1512 OD1 ASP A 94 9.607 6.102 8.796 1.00 0.00 O ATOM 1513 OD2 ASP A 94 9.018 7.192 6.993 1.00 0.00 O ATOM 0 H ASP A 94 10.881 3.123 8.514 1.00 0.00 H new ATOM 0 HA ASP A 94 9.222 4.025 6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.621 5.474 7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.735 5.820 5.775 1.00 0.00 H new ATOM 1518 N VAL A 95 10.827 3.109 4.549 1.00 0.00 N ATOM 1519 CA VAL A 95 11.331 2.070 3.655 1.00 0.00 C ATOM 1520 C VAL A 95 12.184 2.689 2.552 1.00 0.00 C ATOM 1521 O VAL A 95 12.610 3.842 2.667 1.00 0.00 O ATOM 1522 CB VAL A 95 10.187 1.165 3.180 1.00 0.00 C ATOM 1523 CG1 VAL A 95 9.256 0.756 4.324 1.00 0.00 C ATOM 1524 CG2 VAL A 95 9.388 1.772 2.038 1.00 0.00 C ATOM 0 H VAL A 95 10.276 3.833 4.088 1.00 0.00 H new ATOM 0 HA VAL A 95 12.006 1.401 4.189 1.00 0.00 H new ATOM 0 HB VAL A 95 10.671 0.265 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.463 0.116 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.824 0.213 5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.817 1.647 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.593 1.086 1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.951 2.717 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.046 1.949 1.187 1.00 0.00 H new ATOM 1534 N LYS A 96 12.754 1.790 1.738 1.00 0.00 N ATOM 1535 CA LYS A 96 13.622 2.217 0.643 1.00 0.00 C ATOM 1536 C LYS A 96 12.821 2.219 -0.667 1.00 0.00 C ATOM 1537 O LYS A 96 12.384 3.285 -1.112 1.00 0.00 O ATOM 1538 CB LYS A 96 14.831 1.303 0.479 1.00 0.00 C ATOM 1539 CG LYS A 96 15.848 1.792 -0.553 1.00 0.00 C ATOM 1540 CD LYS A 96 17.110 2.354 0.074 1.00 0.00 C ATOM 1541 CE LYS A 96 17.636 3.568 -0.570 1.00 0.00 C ATOM 1542 NZ LYS A 96 18.405 4.402 0.386 1.00 0.00 N ATOM 0 H LYS A 96 12.630 0.781 1.818 1.00 0.00 H new ATOM 0 HA LYS A 96 13.984 3.217 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 96 15.329 1.200 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 96 14.486 0.310 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.114 0.965 -1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 96 15.386 2.559 -1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 96 16.910 2.575 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 96 17.882 1.585 0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.276 3.289 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 96 16.811 4.150 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 18.761 5.249 -0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.787 4.688 1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 19.207 3.854 0.758 1.00 0.00 H new ATOM 1556 N ASP A 97 12.217 1.045 -0.910 1.00 0.00 N ATOM 1557 CA ASP A 97 11.293 0.890 -2.027 1.00 0.00 C ATOM 1558 C ASP A 97 9.964 0.309 -1.536 1.00 0.00 C ATOM 1559 O ASP A 97 9.905 -0.210 -0.410 1.00 0.00 O ATOM 1560 CB ASP A 97 11.936 0.121 -3.176 1.00 0.00 C ATOM 1561 CG ASP A 97 11.986 -1.378 -2.961 1.00 0.00 C ATOM 1562 OD1 ASP A 97 12.282 -1.851 -1.854 1.00 0.00 O ATOM 1563 OD2 ASP A 97 11.785 -2.089 -3.970 1.00 0.00 O ATOM 0 H ASP A 97 12.354 0.203 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 97 11.057 1.868 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.384 0.328 -4.093 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.951 0.491 -3.325 1.00 0.00 H new ATOM 1568 N THR A 98 9.129 -0.047 -2.514 1.00 0.00 N ATOM 1569 CA THR A 98 7.960 -0.880 -2.289 1.00 0.00 C ATOM 1570 C THR A 98 8.355 -2.211 -1.662 1.00 0.00 C ATOM 1571 O THR A 98 7.935 -2.528 -0.548 1.00 0.00 O ATOM 1572 CB THR A 98 7.142 -1.103 -3.627 1.00 0.00 C ATOM 1573 OG1 THR A 98 6.646 0.220 -4.019 1.00 0.00 O ATOM 1574 CG2 THR A 98 6.017 -2.128 -3.525 1.00 0.00 C ATOM 0 H THR A 98 9.250 0.239 -3.486 1.00 0.00 H new ATOM 0 HA THR A 98 7.309 -0.355 -1.590 1.00 0.00 H new ATOM 0 HB THR A 98 7.797 -1.538 -4.382 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.038 0.902 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.514 -2.213 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.431 -3.097 -3.245 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.300 -1.808 -2.769 1.00 0.00 H new ATOM 1582 N LYS A 99 9.372 -2.844 -2.245 1.00 0.00 N ATOM 1583 CA LYS A 99 9.703 -4.218 -1.894 1.00 0.00 C ATOM 1584 C LYS A 99 10.092 -4.305 -0.413 1.00 0.00 C ATOM 1585 O LYS A 99 9.519 -5.137 0.312 1.00 0.00 O ATOM 1586 CB LYS A 99 10.851 -4.766 -2.738 1.00 0.00 C ATOM 1587 CG LYS A 99 10.431 -5.230 -4.134 1.00 0.00 C ATOM 1588 CD LYS A 99 9.373 -6.318 -4.106 1.00 0.00 C ATOM 1589 CE LYS A 99 9.771 -7.585 -4.741 1.00 0.00 C ATOM 1590 NZ LYS A 99 11.058 -8.085 -4.195 1.00 0.00 N ATOM 0 H LYS A 99 9.974 -2.429 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 99 8.816 -4.820 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.615 -3.995 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.309 -5.603 -2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.051 -4.376 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 99 11.308 -5.597 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.104 -6.517 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.476 -5.946 -4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.993 -8.332 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.862 -7.441 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.073 -9.124 -4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.845 -7.703 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.158 -7.778 -3.206 1.00 0.00 H new ATOM 1604 N GLU A 100 10.543 -3.151 0.099 1.00 0.00 N ATOM 1605 CA GLU A 100 11.001 -3.084 1.481 1.00 0.00 C ATOM 1606 C GLU A 100 9.825 -2.903 2.430 1.00 0.00 C ATOM 1607 O GLU A 100 9.716 -3.591 3.443 1.00 0.00 O ATOM 1608 CB GLU A 100 11.989 -1.915 1.581 1.00 0.00 C ATOM 1609 CG GLU A 100 13.396 -2.056 1.697 1.00 0.00 C ATOM 1610 CD GLU A 100 14.054 -1.412 2.882 1.00 0.00 C ATOM 1611 OE1 GLU A 100 13.479 -1.698 3.954 1.00 0.00 O ATOM 1612 OE2 GLU A 100 15.023 -0.678 2.812 1.00 0.00 O ATOM 0 H GLU A 100 10.598 -2.272 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 100 11.493 -4.013 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.820 -1.301 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.673 -1.327 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.628 -3.121 1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.852 -1.649 0.795 1.00 0.00 H new ATOM 1619 N ALA A 101 8.975 -1.932 2.113 1.00 0.00 N ATOM 1620 CA ALA A 101 7.742 -1.716 2.854 1.00 0.00 C ATOM 1621 C ALA A 101 6.847 -2.950 2.773 1.00 0.00 C ATOM 1622 O ALA A 101 6.668 -3.666 3.763 1.00 0.00 O ATOM 1623 CB ALA A 101 7.014 -0.483 2.325 1.00 0.00 C ATOM 0 H ALA A 101 9.121 -1.280 1.343 1.00 0.00 H new ATOM 0 HA ALA A 101 7.990 -1.544 3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.093 -0.334 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.653 0.393 2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.775 -0.626 1.271 1.00 0.00 H new ATOM 1629 N LEU A 102 6.559 -3.360 1.543 1.00 0.00 N ATOM 1630 CA LEU A 102 5.647 -4.455 1.282 1.00 0.00 C ATOM 1631 C LEU A 102 6.123 -5.740 1.956 1.00 0.00 C ATOM 1632 O LEU A 102 5.310 -6.582 2.330 1.00 0.00 O ATOM 1633 CB LEU A 102 5.493 -4.590 -0.246 1.00 0.00 C ATOM 1634 CG LEU A 102 4.077 -4.598 -0.792 1.00 0.00 C ATOM 1635 CD1 LEU A 102 3.302 -3.374 -0.326 1.00 0.00 C ATOM 1636 CD2 LEU A 102 4.139 -4.630 -2.316 1.00 0.00 C ATOM 0 H LEU A 102 6.954 -2.939 0.702 1.00 0.00 H new ATOM 0 HA LEU A 102 4.666 -4.253 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.034 -3.769 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.982 -5.513 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 102 3.557 -5.481 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.291 -3.407 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.255 -3.366 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.804 -2.471 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.127 -4.636 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.669 -3.749 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.665 -5.528 -2.640 1.00 0.00 H new ATOM 1648 N ASP A 103 7.395 -5.723 2.353 1.00 0.00 N ATOM 1649 CA ASP A 103 7.962 -6.802 3.148 1.00 0.00 C ATOM 1650 C ASP A 103 7.617 -6.623 4.624 1.00 0.00 C ATOM 1651 O ASP A 103 6.813 -7.389 5.169 1.00 0.00 O ATOM 1652 CB ASP A 103 9.450 -6.994 2.871 1.00 0.00 C ATOM 1653 CG ASP A 103 9.927 -8.416 3.099 1.00 0.00 C ATOM 1654 OD1 ASP A 103 9.568 -9.261 2.250 1.00 0.00 O ATOM 1655 OD2 ASP A 103 10.631 -8.700 4.078 1.00 0.00 O ATOM 0 H ASP A 103 8.049 -4.972 2.135 1.00 0.00 H new ATOM 0 HA ASP A 103 7.501 -7.741 2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.660 -6.709 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 103 10.021 -6.320 3.510 1.00 0.00 H new ATOM 1660 N LYS A 104 7.953 -5.448 5.146 1.00 0.00 N ATOM 1661 CA LYS A 104 7.609 -5.078 6.509 1.00 0.00 C ATOM 1662 C LYS A 104 6.096 -5.114 6.715 1.00 0.00 C ATOM 1663 O LYS A 104 5.615 -5.419 7.811 1.00 0.00 O ATOM 1664 CB LYS A 104 8.121 -3.680 6.868 1.00 0.00 C ATOM 1665 CG LYS A 104 8.732 -3.578 8.264 1.00 0.00 C ATOM 1666 CD LYS A 104 7.743 -3.865 9.377 1.00 0.00 C ATOM 1667 CE LYS A 104 7.996 -5.110 10.123 1.00 0.00 C ATOM 1668 NZ LYS A 104 6.857 -6.055 10.005 1.00 0.00 N ATOM 0 H LYS A 104 8.469 -4.730 4.637 1.00 0.00 H new ATOM 0 HA LYS A 104 8.091 -5.806 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.868 -3.379 6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.296 -2.972 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.565 -4.276 8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.141 -2.577 8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.753 -3.030 10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 104 6.741 -3.911 8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.903 -5.583 9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.170 -4.877 11.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.137 -6.984 10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.048 -5.693 10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.588 -6.151 9.005 1.00 0.00 H new ATOM 1682 N ILE A 105 5.381 -5.204 5.588 1.00 0.00 N ATOM 1683 CA ILE A 105 3.926 -5.037 5.623 1.00 0.00 C ATOM 1684 C ILE A 105 3.253 -6.393 5.380 1.00 0.00 C ATOM 1685 O ILE A 105 2.633 -6.912 6.335 1.00 0.00 O ATOM 1686 CB ILE A 105 3.495 -3.943 4.586 1.00 0.00 C ATOM 1687 CG1 ILE A 105 4.231 -2.615 4.932 1.00 0.00 C ATOM 1688 CG2 ILE A 105 1.972 -3.742 4.469 1.00 0.00 C ATOM 1689 CD1 ILE A 105 3.583 -1.797 6.075 1.00 0.00 C ATOM 0 H ILE A 105 5.773 -5.387 4.664 1.00 0.00 H new ATOM 0 HA ILE A 105 3.602 -4.688 6.603 1.00 0.00 H new ATOM 0 HB ILE A 105 3.790 -4.293 3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.260 -2.846 5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.272 -1.994 4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.763 -2.968 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.505 -4.676 4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.570 -3.439 5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.162 -0.890 6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.563 -1.529 5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.566 -2.395 6.986 1.00 0.00 H new ATOM 1701 N GLU A 106 3.885 -7.161 4.485 1.00 0.00 N ATOM 1702 CA GLU A 106 3.609 -8.577 4.328 1.00 0.00 C ATOM 1703 C GLU A 106 3.866 -9.322 5.643 1.00 0.00 C ATOM 1704 O GLU A 106 3.120 -10.234 5.995 1.00 0.00 O ATOM 1705 CB GLU A 106 4.529 -9.117 3.222 1.00 0.00 C ATOM 1706 CG GLU A 106 4.734 -10.496 2.952 1.00 0.00 C ATOM 1707 CD GLU A 106 3.685 -11.197 2.144 1.00 0.00 C ATOM 1708 OE1 GLU A 106 2.627 -11.370 2.789 1.00 0.00 O ATOM 1709 OE2 GLU A 106 3.834 -11.553 0.987 1.00 0.00 O ATOM 0 H GLU A 106 4.603 -6.808 3.852 1.00 0.00 H new ATOM 0 HA GLU A 106 2.564 -8.728 4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.174 -8.676 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.516 -8.697 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.687 -10.601 2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.831 -11.016 3.905 1.00 0.00 H new