USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 34 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.045) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 44 CYS SG : rot 108:sc= 0.75 USER MOD Single : A 46 SER OG : rot -82:sc= 1.19 USER MOD Single : A 47 THR OG1 : rot -75:sc= 1.32 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 57 CYS SG : rot 109:sc= -2.08! USER MOD Single : A 58 GLN : amide:sc= -0.0432 K(o=-0.043,f=-0.62) USER MOD Single : A 63 ASN : amide:sc= -3.6! K(o=-3.6!,f=-0.79) USER MOD Single : A 74 CYS SG : rot 75:sc= 0.0781 USER MOD Single : A 76 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.092) USER MOD Single : A 78 CYS SG : rot -89:sc= 0.287 USER MOD Single : A 79 GLN : amide:sc= -4.74! K(o=-4.7!,f=-3.5) USER MOD Single : A 82 CYS SG : rot 70:sc= -0.599 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= -1.65 (180deg=-1.7) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= -0.0151 (180deg=-0.206) USER MOD Single : A 93 LYS NZ :NH3+ 145:sc= -1.25 (180deg=-1.73) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc=-0.00357 (180deg=-0.0964) USER MOD Single : A 99 MET CE :methyl 174:sc= 0 (180deg=-0.0133) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.387 -7.717 8.678 1.00 0.00 N ATOM 143 CA GLN A 34 -7.025 -8.944 7.970 1.00 0.00 C ATOM 144 C GLN A 34 -5.839 -8.740 7.028 1.00 0.00 C ATOM 145 O GLN A 34 -5.261 -9.711 6.539 1.00 0.00 O ATOM 146 CB GLN A 34 -8.228 -9.470 7.184 1.00 0.00 C ATOM 147 CG GLN A 34 -9.430 -9.792 8.056 1.00 0.00 C ATOM 148 CD GLN A 34 -9.135 -10.871 9.082 1.00 0.00 C ATOM 149 OE1 GLN A 34 -9.305 -12.060 8.817 1.00 0.00 O ATOM 150 NE2 GLN A 34 -8.691 -10.457 10.264 1.00 0.00 N ATOM 0 HA GLN A 34 -6.725 -9.675 8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.518 -8.728 6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.932 -10.368 6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.755 -8.887 8.569 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.257 -10.114 7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.565 -9.460 10.441 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.477 -11.136 10.995 1.00 0.00 H new ATOM 159 N TRP A 35 -5.476 -7.486 6.770 1.00 0.00 N ATOM 160 CA TRP A 35 -4.354 -7.196 5.878 1.00 0.00 C ATOM 161 C TRP A 35 -3.039 -7.694 6.469 1.00 0.00 C ATOM 162 O TRP A 35 -2.672 -7.333 7.587 1.00 0.00 O ATOM 163 CB TRP A 35 -4.258 -5.697 5.586 1.00 0.00 C ATOM 164 CG TRP A 35 -5.265 -5.230 4.583 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.591 -5.025 4.804 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.035 -4.919 3.203 1.00 0.00 C ATOM 167 NE1 TRP A 35 -7.204 -4.598 3.654 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.271 -4.526 2.655 1.00 0.00 C ATOM 169 CE3 TRP A 35 -3.908 -4.931 2.379 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.411 -4.151 1.323 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.046 -4.557 1.055 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.290 -4.171 0.538 1.00 0.00 C ATOM 0 H TRP A 35 -5.935 -6.663 7.160 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.537 -7.724 4.942 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.394 -5.142 6.514 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.257 -5.467 5.221 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.090 -5.177 5.750 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.194 -4.371 3.559 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.945 -5.227 2.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.369 -3.855 0.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.181 -4.562 0.409 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.366 -3.884 -0.500 1.00 0.00 H new ATOM 183 N SER A 36 -2.333 -8.528 5.708 1.00 0.00 N ATOM 184 CA SER A 36 -1.057 -9.076 6.154 1.00 0.00 C ATOM 185 C SER A 36 0.087 -8.572 5.281 1.00 0.00 C ATOM 186 O SER A 36 -0.096 -7.679 4.454 1.00 0.00 O ATOM 187 CB SER A 36 -1.095 -10.606 6.129 1.00 0.00 C ATOM 188 OG SER A 36 -2.140 -11.104 6.947 1.00 0.00 O ATOM 0 H SER A 36 -2.624 -8.838 4.781 1.00 0.00 H new ATOM 0 HA SER A 36 -0.886 -8.741 7.177 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.234 -10.953 5.105 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.140 -11.002 6.473 1.00 0.00 H new ATOM 0 HG SER A 36 -2.144 -12.083 6.912 1.00 0.00 H new ATOM 194 N VAL A 37 1.267 -9.152 5.472 1.00 0.00 N ATOM 195 CA VAL A 37 2.447 -8.762 4.708 1.00 0.00 C ATOM 196 C VAL A 37 2.249 -9.004 3.213 1.00 0.00 C ATOM 197 O VAL A 37 2.305 -8.071 2.412 1.00 0.00 O ATOM 198 CB VAL A 37 3.698 -9.528 5.184 1.00 0.00 C ATOM 199 CG1 VAL A 37 4.876 -9.281 4.253 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.054 -9.135 6.610 1.00 0.00 C ATOM 0 H VAL A 37 1.432 -9.895 6.151 1.00 0.00 H new ATOM 0 HA VAL A 37 2.594 -7.695 4.877 1.00 0.00 H new ATOM 0 HB VAL A 37 3.469 -10.594 5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.745 -9.833 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.622 -9.617 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.106 -8.216 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.939 -9.685 6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.257 -8.065 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.221 -9.373 7.272 1.00 0.00 H new ATOM 210 N ASP A 38 2.018 -10.261 2.845 1.00 0.00 N ATOM 211 CA ASP A 38 1.823 -10.631 1.446 1.00 0.00 C ATOM 212 C ASP A 38 0.682 -9.842 0.809 1.00 0.00 C ATOM 213 O ASP A 38 0.717 -9.540 -0.383 1.00 0.00 O ATOM 214 CB ASP A 38 1.544 -12.130 1.331 1.00 0.00 C ATOM 215 CG ASP A 38 0.319 -12.550 2.119 1.00 0.00 C ATOM 216 OD1 ASP A 38 0.457 -12.825 3.330 1.00 0.00 O ATOM 217 OD2 ASP A 38 -0.779 -12.605 1.526 1.00 0.00 O ATOM 0 H ASP A 38 1.961 -11.043 3.498 1.00 0.00 H new ATOM 0 HA ASP A 38 2.740 -10.389 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.406 -12.392 0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.411 -12.687 1.687 1.00 0.00 H new ATOM 222 N ASP A 39 -0.327 -9.511 1.607 1.00 0.00 N ATOM 223 CA ASP A 39 -1.479 -8.765 1.112 1.00 0.00 C ATOM 224 C ASP A 39 -1.087 -7.354 0.680 1.00 0.00 C ATOM 225 O ASP A 39 -1.311 -6.961 -0.464 1.00 0.00 O ATOM 226 CB ASP A 39 -2.569 -8.695 2.183 1.00 0.00 C ATOM 227 CG ASP A 39 -3.193 -10.048 2.463 1.00 0.00 C ATOM 228 OD1 ASP A 39 -4.164 -10.409 1.764 1.00 0.00 O ATOM 229 OD2 ASP A 39 -2.714 -10.747 3.380 1.00 0.00 O ATOM 0 H ASP A 39 -0.371 -9.747 2.598 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.864 -9.294 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.144 -8.296 3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.345 -8.000 1.863 1.00 0.00 H new ATOM 234 N VAL A 40 -0.496 -6.600 1.602 1.00 0.00 N ATOM 235 CA VAL A 40 -0.086 -5.228 1.324 1.00 0.00 C ATOM 236 C VAL A 40 0.950 -5.160 0.207 1.00 0.00 C ATOM 237 O VAL A 40 0.802 -4.387 -0.738 1.00 0.00 O ATOM 238 CB VAL A 40 0.492 -4.549 2.581 1.00 0.00 C ATOM 239 CG1 VAL A 40 0.866 -3.104 2.286 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.498 -4.624 3.733 1.00 0.00 C ATOM 0 H VAL A 40 -0.290 -6.917 2.549 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.984 -4.699 1.006 1.00 0.00 H new ATOM 0 HB VAL A 40 1.397 -5.082 2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.272 -2.642 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.615 -3.076 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.021 -2.557 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.072 -4.139 4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.422 -4.119 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.711 -5.668 3.962 1.00 0.00 H new ATOM 250 N ILE A 41 1.996 -5.971 0.321 1.00 0.00 N ATOM 251 CA ILE A 41 3.068 -5.990 -0.671 1.00 0.00 C ATOM 252 C ILE A 41 2.547 -6.288 -2.076 1.00 0.00 C ATOM 253 O ILE A 41 2.665 -5.456 -2.975 1.00 0.00 O ATOM 254 CB ILE A 41 4.148 -7.026 -0.304 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.787 -6.662 1.039 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.202 -7.108 -1.399 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.840 -7.646 1.499 1.00 0.00 C ATOM 0 H ILE A 41 2.126 -6.626 1.092 1.00 0.00 H new ATOM 0 HA ILE A 41 3.505 -4.991 -0.668 1.00 0.00 H new ATOM 0 HB ILE A 41 3.680 -8.006 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.237 -5.672 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.006 -6.598 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.957 -7.844 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.731 -7.405 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.674 -6.133 -1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.247 -7.322 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.391 -8.633 1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.641 -7.693 0.761 1.00 0.00 H new ATOM 269 N THR A 42 1.982 -7.478 -2.259 1.00 0.00 N ATOM 270 CA THR A 42 1.459 -7.894 -3.560 1.00 0.00 C ATOM 271 C THR A 42 0.620 -6.801 -4.218 1.00 0.00 C ATOM 272 O THR A 42 0.938 -6.345 -5.317 1.00 0.00 O ATOM 273 CB THR A 42 0.610 -9.174 -3.440 1.00 0.00 C ATOM 274 OG1 THR A 42 1.398 -10.235 -2.884 1.00 0.00 O ATOM 275 CG2 THR A 42 0.072 -9.599 -4.799 1.00 0.00 C ATOM 0 H THR A 42 1.874 -8.174 -1.521 1.00 0.00 H new ATOM 0 HA THR A 42 2.328 -8.092 -4.187 1.00 0.00 H new ATOM 0 HB THR A 42 -0.233 -8.961 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.394 -10.168 -1.906 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.524 -10.505 -4.687 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.550 -8.804 -5.209 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.904 -9.793 -5.475 1.00 0.00 H new ATOM 283 N TRP A 43 -0.451 -6.385 -3.548 1.00 0.00 N ATOM 284 CA TRP A 43 -1.332 -5.353 -4.086 1.00 0.00 C ATOM 285 C TRP A 43 -0.567 -4.067 -4.388 1.00 0.00 C ATOM 286 O TRP A 43 -0.754 -3.456 -5.439 1.00 0.00 O ATOM 287 CB TRP A 43 -2.474 -5.059 -3.110 1.00 0.00 C ATOM 288 CG TRP A 43 -3.403 -3.989 -3.596 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.486 -4.152 -4.412 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.328 -2.588 -3.304 1.00 0.00 C ATOM 291 NE1 TRP A 43 -5.087 -2.940 -4.646 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.395 -1.965 -3.977 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.462 -1.799 -2.540 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.621 -0.593 -3.909 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.687 -0.437 -2.472 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.759 0.154 -3.153 1.00 0.00 C ATOM 0 H TRP A 43 -0.729 -6.745 -2.635 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.747 -5.732 -5.020 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.041 -5.974 -2.938 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.055 -4.759 -2.150 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.821 -5.097 -4.815 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.914 -2.790 -5.224 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.632 -2.246 -2.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.446 -0.135 -4.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.025 0.182 -1.884 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.908 1.221 -3.080 1.00 0.00 H new ATOM 307 N CYS A 44 0.295 -3.663 -3.461 1.00 0.00 N ATOM 308 CA CYS A 44 1.081 -2.442 -3.619 1.00 0.00 C ATOM 309 C CYS A 44 1.899 -2.463 -4.907 1.00 0.00 C ATOM 310 O CYS A 44 1.661 -1.670 -5.816 1.00 0.00 O ATOM 311 CB CYS A 44 2.011 -2.252 -2.421 1.00 0.00 C ATOM 312 SG CYS A 44 3.201 -0.906 -2.617 1.00 0.00 S ATOM 0 H CYS A 44 0.468 -4.164 -2.590 1.00 0.00 H new ATOM 0 HA CYS A 44 0.383 -1.607 -3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.408 -2.063 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.554 -3.180 -2.246 1.00 0.00 H new ATOM 0 HG CYS A 44 2.863 0.087 -1.849 1.00 0.00 H new ATOM 318 N ILE A 45 2.863 -3.374 -4.971 1.00 0.00 N ATOM 319 CA ILE A 45 3.736 -3.504 -6.135 1.00 0.00 C ATOM 320 C ILE A 45 2.945 -3.605 -7.438 1.00 0.00 C ATOM 321 O ILE A 45 3.152 -2.818 -8.362 1.00 0.00 O ATOM 322 CB ILE A 45 4.638 -4.747 -6.005 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.386 -4.721 -4.670 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.613 -4.815 -7.170 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.247 -5.944 -4.430 1.00 0.00 C ATOM 0 H ILE A 45 3.062 -4.040 -4.224 1.00 0.00 H new ATOM 0 HA ILE A 45 4.347 -2.602 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 45 4.013 -5.640 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.015 -3.832 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.662 -4.633 -3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.244 -5.698 -7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.058 -4.875 -8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.237 -3.921 -7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.746 -5.854 -3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.621 -6.836 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.995 -6.023 -5.219 1.00 0.00 H new ATOM 337 N SER A 46 2.038 -4.573 -7.498 1.00 0.00 N ATOM 338 CA SER A 46 1.225 -4.800 -8.691 1.00 0.00 C ATOM 339 C SER A 46 0.445 -3.553 -9.111 1.00 0.00 C ATOM 340 O SER A 46 -0.100 -3.503 -10.213 1.00 0.00 O ATOM 341 CB SER A 46 0.252 -5.956 -8.452 1.00 0.00 C ATOM 342 OG SER A 46 -0.655 -5.652 -7.407 1.00 0.00 O ATOM 0 H SER A 46 1.845 -5.217 -6.731 1.00 0.00 H new ATOM 0 HA SER A 46 1.910 -5.050 -9.502 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.301 -6.165 -9.368 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.809 -6.859 -8.203 1.00 0.00 H new ATOM 0 HG SER A 46 -0.231 -5.833 -6.542 1.00 0.00 H new ATOM 348 N THR A 47 0.388 -2.551 -8.238 1.00 0.00 N ATOM 349 CA THR A 47 -0.346 -1.327 -8.548 1.00 0.00 C ATOM 350 C THR A 47 0.511 -0.073 -8.382 1.00 0.00 C ATOM 351 O THR A 47 0.039 1.035 -8.632 1.00 0.00 O ATOM 352 CB THR A 47 -1.595 -1.181 -7.655 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.200 -0.997 -6.291 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.494 -2.403 -7.765 1.00 0.00 C ATOM 0 H THR A 47 0.835 -2.561 -7.321 1.00 0.00 H new ATOM 0 HA THR A 47 -0.641 -1.417 -9.594 1.00 0.00 H new ATOM 0 HB THR A 47 -2.155 -0.310 -7.996 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.890 -1.850 -5.922 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.366 -2.272 -7.125 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.818 -2.525 -8.799 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.943 -3.289 -7.451 1.00 0.00 H new ATOM 362 N LEU A 48 1.766 -0.239 -7.970 1.00 0.00 N ATOM 363 CA LEU A 48 2.643 0.911 -7.766 1.00 0.00 C ATOM 364 C LEU A 48 3.476 1.215 -9.007 1.00 0.00 C ATOM 365 O LEU A 48 3.268 2.236 -9.662 1.00 0.00 O ATOM 366 CB LEU A 48 3.557 0.680 -6.558 1.00 0.00 C ATOM 367 CG LEU A 48 4.148 1.953 -5.941 1.00 0.00 C ATOM 368 CD1 LEU A 48 4.403 1.760 -4.456 1.00 0.00 C ATOM 369 CD2 LEU A 48 5.435 2.342 -6.648 1.00 0.00 C ATOM 0 H LEU A 48 2.193 -1.144 -7.773 1.00 0.00 H new ATOM 0 HA LEU A 48 2.008 1.776 -7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.993 0.150 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.376 0.027 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 48 3.425 2.759 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.822 2.675 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.464 1.527 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.105 0.939 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.839 3.248 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.161 1.534 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.230 2.524 -7.703 1.00 0.00 H new ATOM 381 N GLU A 49 4.418 0.334 -9.332 1.00 0.00 N ATOM 382 CA GLU A 49 5.270 0.546 -10.498 1.00 0.00 C ATOM 383 C GLU A 49 5.554 -0.754 -11.245 1.00 0.00 C ATOM 384 O GLU A 49 5.101 -0.943 -12.375 1.00 0.00 O ATOM 385 CB GLU A 49 6.590 1.198 -10.076 1.00 0.00 C ATOM 386 CG GLU A 49 7.546 1.443 -11.234 1.00 0.00 C ATOM 387 CD GLU A 49 6.965 2.367 -12.287 1.00 0.00 C ATOM 388 OE1 GLU A 49 7.075 3.599 -12.122 1.00 0.00 O ATOM 389 OE2 GLU A 49 6.401 1.857 -13.279 1.00 0.00 O ATOM 0 H GLU A 49 4.609 -0.523 -8.812 1.00 0.00 H new ATOM 0 HA GLU A 49 4.732 1.208 -11.176 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.376 2.148 -9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.081 0.562 -9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.472 1.872 -10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.803 0.490 -11.695 1.00 0.00 H new ATOM 396 N VAL A 50 6.308 -1.645 -10.608 1.00 0.00 N ATOM 397 CA VAL A 50 6.679 -2.915 -11.223 1.00 0.00 C ATOM 398 C VAL A 50 5.839 -4.072 -10.692 1.00 0.00 C ATOM 399 O VAL A 50 4.831 -3.866 -10.018 1.00 0.00 O ATOM 400 CB VAL A 50 8.169 -3.227 -10.981 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.042 -2.074 -11.451 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.422 -3.525 -9.510 1.00 0.00 C ATOM 0 H VAL A 50 6.674 -1.511 -9.666 1.00 0.00 H new ATOM 0 HA VAL A 50 6.493 -2.811 -12.292 1.00 0.00 H new ATOM 0 HB VAL A 50 8.431 -4.112 -11.560 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.090 -2.314 -11.271 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.885 -1.910 -12.517 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.778 -1.170 -10.902 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.479 -3.743 -9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.141 -2.660 -8.910 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.827 -4.386 -9.206 1.00 0.00 H new ATOM 412 N GLU A 51 6.263 -5.291 -11.014 1.00 0.00 N ATOM 413 CA GLU A 51 5.573 -6.496 -10.569 1.00 0.00 C ATOM 414 C GLU A 51 6.328 -7.137 -9.412 1.00 0.00 C ATOM 415 O GLU A 51 7.310 -6.578 -8.923 1.00 0.00 O ATOM 416 CB GLU A 51 5.448 -7.491 -11.723 1.00 0.00 C ATOM 417 CG GLU A 51 6.779 -7.837 -12.371 1.00 0.00 C ATOM 418 CD GLU A 51 6.655 -8.935 -13.409 1.00 0.00 C ATOM 419 OE1 GLU A 51 6.684 -10.123 -13.022 1.00 0.00 O ATOM 420 OE2 GLU A 51 6.529 -8.607 -14.607 1.00 0.00 O ATOM 0 H GLU A 51 7.088 -5.470 -11.586 1.00 0.00 H new ATOM 0 HA GLU A 51 4.574 -6.220 -10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.983 -8.406 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.781 -7.077 -12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.193 -6.944 -12.840 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.484 -8.149 -11.600 1.00 0.00 H new ATOM 427 N GLU A 52 5.878 -8.309 -8.975 1.00 0.00 N ATOM 428 CA GLU A 52 6.533 -9.001 -7.872 1.00 0.00 C ATOM 429 C GLU A 52 7.822 -9.669 -8.341 1.00 0.00 C ATOM 430 O GLU A 52 7.886 -10.889 -8.499 1.00 0.00 O ATOM 431 CB GLU A 52 5.593 -10.044 -7.263 1.00 0.00 C ATOM 432 CG GLU A 52 4.274 -9.464 -6.779 1.00 0.00 C ATOM 433 CD GLU A 52 3.377 -10.509 -6.145 1.00 0.00 C ATOM 434 OE1 GLU A 52 2.739 -11.277 -6.896 1.00 0.00 O ATOM 435 OE2 GLU A 52 3.312 -10.559 -4.899 1.00 0.00 O ATOM 0 H GLU A 52 5.070 -8.795 -9.364 1.00 0.00 H new ATOM 0 HA GLU A 52 6.783 -8.263 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.390 -10.816 -8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.096 -10.530 -6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.472 -8.673 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.753 -9.004 -7.619 1.00 0.00 H new ATOM 442 N THR A 53 8.844 -8.851 -8.569 1.00 0.00 N ATOM 443 CA THR A 53 10.146 -9.337 -9.009 1.00 0.00 C ATOM 444 C THR A 53 11.260 -8.533 -8.353 1.00 0.00 C ATOM 445 O THR A 53 12.206 -9.090 -7.796 1.00 0.00 O ATOM 446 CB THR A 53 10.296 -9.253 -10.541 1.00 0.00 C ATOM 447 OG1 THR A 53 10.120 -7.901 -10.978 1.00 0.00 O ATOM 448 CG2 THR A 53 9.284 -10.152 -11.236 1.00 0.00 C ATOM 0 H THR A 53 8.794 -7.839 -8.455 1.00 0.00 H new ATOM 0 HA THR A 53 10.219 -10.383 -8.711 1.00 0.00 H new ATOM 0 HB THR A 53 11.298 -9.592 -10.803 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.219 -7.857 -11.952 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.410 -10.075 -12.316 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.441 -11.185 -10.925 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.275 -9.841 -10.966 1.00 0.00 H new ATOM 456 N ASP A 54 11.130 -7.213 -8.432 1.00 0.00 N ATOM 457 CA ASP A 54 12.105 -6.296 -7.854 1.00 0.00 C ATOM 458 C ASP A 54 12.167 -6.461 -6.334 1.00 0.00 C ATOM 459 O ASP A 54 11.153 -6.757 -5.700 1.00 0.00 O ATOM 460 CB ASP A 54 11.725 -4.857 -8.224 1.00 0.00 C ATOM 461 CG ASP A 54 12.635 -3.819 -7.596 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.655 -3.466 -8.224 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.326 -3.355 -6.478 1.00 0.00 O ATOM 0 H ASP A 54 10.349 -6.750 -8.897 1.00 0.00 H new ATOM 0 HA ASP A 54 13.093 -6.523 -8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.754 -4.748 -9.308 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.698 -4.667 -7.912 1.00 0.00 H new ATOM 468 N PRO A 55 13.360 -6.283 -5.724 1.00 0.00 N ATOM 469 CA PRO A 55 13.542 -6.412 -4.268 1.00 0.00 C ATOM 470 C PRO A 55 12.576 -5.547 -3.457 1.00 0.00 C ATOM 471 O PRO A 55 12.560 -5.615 -2.227 1.00 0.00 O ATOM 472 CB PRO A 55 14.992 -5.952 -4.036 1.00 0.00 C ATOM 473 CG PRO A 55 15.413 -5.294 -5.307 1.00 0.00 C ATOM 474 CD PRO A 55 14.630 -5.965 -6.395 1.00 0.00 C ATOM 0 HA PRO A 55 13.342 -7.432 -3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.054 -5.259 -3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.638 -6.797 -3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 55 15.207 -4.224 -5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.485 -5.408 -5.470 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.483 -5.309 -7.253 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.131 -6.861 -6.762 1.00 0.00 H new ATOM 482 N LEU A 56 11.778 -4.732 -4.145 1.00 0.00 N ATOM 483 CA LEU A 56 10.805 -3.864 -3.484 1.00 0.00 C ATOM 484 C LEU A 56 9.950 -4.662 -2.499 1.00 0.00 C ATOM 485 O LEU A 56 9.498 -4.134 -1.480 1.00 0.00 O ATOM 486 CB LEU A 56 9.910 -3.190 -4.529 1.00 0.00 C ATOM 487 CG LEU A 56 8.822 -2.270 -3.969 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.429 -0.983 -3.431 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.786 -1.960 -5.039 1.00 0.00 C ATOM 0 H LEU A 56 11.786 -4.655 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 56 11.346 -3.098 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.541 -2.610 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.433 -3.966 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 56 8.329 -2.787 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.638 -0.344 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.134 -1.219 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.950 -0.463 -4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.020 -1.305 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.270 -1.465 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.325 -2.888 -5.379 1.00 0.00 H new ATOM 501 N CYS A 57 9.739 -5.938 -2.810 1.00 0.00 N ATOM 502 CA CYS A 57 8.946 -6.818 -1.960 1.00 0.00 C ATOM 503 C CYS A 57 9.681 -7.130 -0.661 1.00 0.00 C ATOM 504 O CYS A 57 9.079 -7.159 0.412 1.00 0.00 O ATOM 505 CB CYS A 57 8.626 -8.119 -2.700 1.00 0.00 C ATOM 506 SG CYS A 57 7.840 -9.382 -1.674 1.00 0.00 S ATOM 0 H CYS A 57 10.108 -6.386 -3.648 1.00 0.00 H new ATOM 0 HA CYS A 57 8.016 -6.304 -1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.972 -7.893 -3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.549 -8.525 -3.113 1.00 0.00 H new ATOM 0 HG CYS A 57 6.595 -9.512 -2.024 1.00 0.00 H new ATOM 512 N GLN A 58 10.985 -7.363 -0.770 1.00 0.00 N ATOM 513 CA GLN A 58 11.807 -7.670 0.395 1.00 0.00 C ATOM 514 C GLN A 58 11.797 -6.514 1.390 1.00 0.00 C ATOM 515 O GLN A 58 11.647 -6.723 2.593 1.00 0.00 O ATOM 516 CB GLN A 58 13.244 -7.976 -0.037 1.00 0.00 C ATOM 517 CG GLN A 58 14.191 -8.229 1.125 1.00 0.00 C ATOM 518 CD GLN A 58 15.612 -8.499 0.671 1.00 0.00 C ATOM 519 OE1 GLN A 58 15.840 -9.040 -0.412 1.00 0.00 O ATOM 520 NE2 GLN A 58 16.580 -8.120 1.498 1.00 0.00 N ATOM 0 H GLN A 58 11.495 -7.345 -1.653 1.00 0.00 H new ATOM 0 HA GLN A 58 11.386 -8.548 0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.240 -8.850 -0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.622 -7.141 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.184 -7.365 1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.831 -9.079 1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.347 -7.675 2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.556 -8.274 1.245 1.00 0.00 H new ATOM 529 N ARG A 59 11.954 -5.297 0.877 1.00 0.00 N ATOM 530 CA ARG A 59 11.963 -4.106 1.721 1.00 0.00 C ATOM 531 C ARG A 59 10.670 -3.989 2.522 1.00 0.00 C ATOM 532 O ARG A 59 10.696 -3.906 3.750 1.00 0.00 O ATOM 533 CB ARG A 59 12.167 -2.850 0.867 1.00 0.00 C ATOM 534 CG ARG A 59 13.629 -2.509 0.613 1.00 0.00 C ATOM 535 CD ARG A 59 14.350 -3.625 -0.126 1.00 0.00 C ATOM 536 NE ARG A 59 15.767 -3.327 -0.320 1.00 0.00 N ATOM 537 CZ ARG A 59 16.719 -4.254 -0.353 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.408 -5.535 -0.203 1.00 0.00 N ATOM 539 NH2 ARG A 59 17.984 -3.901 -0.536 1.00 0.00 N ATOM 0 H ARG A 59 12.077 -5.110 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 59 12.792 -4.198 2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.664 -2.988 -0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.687 -2.005 1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.692 -1.589 0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.129 -2.321 1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.248 -4.555 0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.877 -3.783 -1.095 1.00 0.00 H new ATOM 0 HE ARG A 59 16.042 -2.352 -0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.436 -5.811 -0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.141 -6.244 -0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.227 -2.917 -0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.714 -4.613 -0.561 1.00 0.00 H new ATOM 553 N LEU A 60 9.542 -3.983 1.819 1.00 0.00 N ATOM 554 CA LEU A 60 8.238 -3.879 2.467 1.00 0.00 C ATOM 555 C LEU A 60 8.007 -5.040 3.430 1.00 0.00 C ATOM 556 O LEU A 60 7.323 -4.890 4.443 1.00 0.00 O ATOM 557 CB LEU A 60 7.125 -3.847 1.416 1.00 0.00 C ATOM 558 CG LEU A 60 7.230 -2.719 0.386 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.165 -2.879 -0.688 1.00 0.00 C ATOM 560 CD2 LEU A 60 7.101 -1.363 1.065 1.00 0.00 C ATOM 0 H LEU A 60 9.504 -4.049 0.802 1.00 0.00 H new ATOM 0 HA LEU A 60 8.221 -2.951 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.120 -4.800 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.167 -3.761 1.928 1.00 0.00 H new ATOM 0 HG LEU A 60 8.210 -2.775 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.254 -2.069 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.300 -3.835 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.177 -2.848 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.178 -0.573 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.135 -1.297 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.898 -1.247 1.799 1.00 0.00 H new ATOM 572 N ARG A 61 8.580 -6.196 3.109 1.00 0.00 N ATOM 573 CA ARG A 61 8.433 -7.382 3.945 1.00 0.00 C ATOM 574 C ARG A 61 9.166 -7.216 5.273 1.00 0.00 C ATOM 575 O ARG A 61 8.682 -7.655 6.317 1.00 0.00 O ATOM 576 CB ARG A 61 8.953 -8.619 3.210 1.00 0.00 C ATOM 577 CG ARG A 61 8.767 -9.913 3.988 1.00 0.00 C ATOM 578 CD ARG A 61 9.196 -11.122 3.172 1.00 0.00 C ATOM 579 NE ARG A 61 8.982 -12.373 3.894 1.00 0.00 N ATOM 580 CZ ARG A 61 8.653 -13.518 3.305 1.00 0.00 C ATOM 581 NH1 ARG A 61 8.503 -13.573 1.988 1.00 0.00 N ATOM 582 NH2 ARG A 61 8.474 -14.612 4.032 1.00 0.00 N ATOM 0 H ARG A 61 9.151 -6.336 2.275 1.00 0.00 H new ATOM 0 HA ARG A 61 7.372 -7.513 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.440 -8.704 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.013 -8.484 2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.347 -9.871 4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.721 -10.019 4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.638 -11.144 2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.251 -11.029 2.913 1.00 0.00 H new ATOM 0 HE ARG A 61 9.091 -12.368 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.640 -12.735 1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.250 -14.454 1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.589 -14.576 5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.221 -15.490 3.578 1.00 0.00 H new ATOM 596 N GLU A 62 10.336 -6.584 5.227 1.00 0.00 N ATOM 597 CA GLU A 62 11.131 -6.363 6.432 1.00 0.00 C ATOM 598 C GLU A 62 10.326 -5.603 7.479 1.00 0.00 C ATOM 599 O GLU A 62 10.054 -6.121 8.562 1.00 0.00 O ATOM 600 CB GLU A 62 12.412 -5.594 6.098 1.00 0.00 C ATOM 601 CG GLU A 62 13.401 -6.390 5.262 1.00 0.00 C ATOM 602 CD GLU A 62 13.876 -7.649 5.962 1.00 0.00 C ATOM 603 OE1 GLU A 62 13.222 -8.699 5.801 1.00 0.00 O ATOM 604 OE2 GLU A 62 14.903 -7.583 6.669 1.00 0.00 O ATOM 0 H GLU A 62 10.753 -6.217 4.372 1.00 0.00 H new ATOM 0 HA GLU A 62 11.401 -7.337 6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.149 -4.682 5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.896 -5.291 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.935 -6.659 4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.261 -5.762 5.028 1.00 0.00 H new ATOM 611 N ASN A 63 9.946 -4.373 7.150 1.00 0.00 N ATOM 612 CA ASN A 63 9.166 -3.550 8.064 1.00 0.00 C ATOM 613 C ASN A 63 7.715 -4.016 8.095 1.00 0.00 C ATOM 614 O ASN A 63 6.885 -3.543 7.318 1.00 0.00 O ATOM 615 CB ASN A 63 9.230 -2.075 7.657 1.00 0.00 C ATOM 616 CG ASN A 63 10.615 -1.471 7.829 1.00 0.00 C ATOM 617 OD1 ASN A 63 10.750 -0.289 8.147 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.652 -2.273 7.612 1.00 0.00 N ATOM 0 H ASN A 63 10.165 -3.926 6.260 1.00 0.00 H new ATOM 0 HA ASN A 63 9.594 -3.655 9.061 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.924 -1.978 6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.516 -1.508 8.254 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.602 -1.915 7.707 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.498 -3.247 7.350 1.00 0.00 H new ATOM 625 N ASP A 64 7.420 -4.958 8.984 1.00 0.00 N ATOM 626 CA ASP A 64 6.068 -5.487 9.116 1.00 0.00 C ATOM 627 C ASP A 64 5.078 -4.373 9.448 1.00 0.00 C ATOM 628 O ASP A 64 5.035 -3.881 10.576 1.00 0.00 O ATOM 629 CB ASP A 64 6.024 -6.573 10.195 1.00 0.00 C ATOM 630 CG ASP A 64 6.547 -6.085 11.533 1.00 0.00 C ATOM 631 OD1 ASP A 64 7.783 -5.988 11.688 1.00 0.00 O ATOM 632 OD2 ASP A 64 5.721 -5.799 12.425 1.00 0.00 O ATOM 0 H ASP A 64 8.099 -5.371 9.624 1.00 0.00 H new ATOM 0 HA ASP A 64 5.781 -5.927 8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.998 -6.920 10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.614 -7.429 9.868 1.00 0.00 H new ATOM 637 N ILE A 65 4.289 -3.976 8.454 1.00 0.00 N ATOM 638 CA ILE A 65 3.302 -2.919 8.634 1.00 0.00 C ATOM 639 C ILE A 65 1.918 -3.379 8.188 1.00 0.00 C ATOM 640 O ILE A 65 1.744 -3.860 7.068 1.00 0.00 O ATOM 641 CB ILE A 65 3.685 -1.650 7.843 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.061 -1.135 8.280 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.625 -0.570 8.017 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.119 -0.686 9.725 1.00 0.00 C ATOM 0 H ILE A 65 4.315 -4.372 7.514 1.00 0.00 H new ATOM 0 HA ILE A 65 3.281 -2.684 9.698 1.00 0.00 H new ATOM 0 HB ILE A 65 3.739 -1.909 6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.799 -1.922 8.125 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.346 -0.301 7.639 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.913 0.317 7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.667 -0.938 7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.536 -0.314 9.073 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.125 -0.336 9.957 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.407 0.124 9.883 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.867 -1.523 10.376 1.00 0.00 H new ATOM 656 N VAL A 66 0.937 -3.230 9.072 1.00 0.00 N ATOM 657 CA VAL A 66 -0.432 -3.624 8.768 1.00 0.00 C ATOM 658 C VAL A 66 -1.141 -2.532 7.972 1.00 0.00 C ATOM 659 O VAL A 66 -0.682 -1.390 7.924 1.00 0.00 O ATOM 660 CB VAL A 66 -1.225 -3.925 10.058 1.00 0.00 C ATOM 661 CG1 VAL A 66 -1.404 -2.664 10.888 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.572 -4.556 9.736 1.00 0.00 C ATOM 0 H VAL A 66 1.066 -2.839 10.005 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.388 -4.533 8.168 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.651 -4.641 10.646 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.965 -2.900 11.792 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.427 -2.267 11.161 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.949 -1.920 10.307 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.110 -4.758 10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.156 -3.873 9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.416 -5.490 9.196 1.00 0.00 H new ATOM 672 N GLY A 67 -2.255 -2.889 7.342 1.00 0.00 N ATOM 673 CA GLY A 67 -3.005 -1.929 6.553 1.00 0.00 C ATOM 674 C GLY A 67 -3.488 -0.748 7.373 1.00 0.00 C ATOM 675 O GLY A 67 -3.717 0.336 6.838 1.00 0.00 O ATOM 0 H GLY A 67 -2.653 -3.828 7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.379 -1.568 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.863 -2.427 6.101 1.00 0.00 H new ATOM 679 N ASP A 68 -3.643 -0.960 8.676 1.00 0.00 N ATOM 680 CA ASP A 68 -4.105 0.092 9.576 1.00 0.00 C ATOM 681 C ASP A 68 -2.987 1.082 9.884 1.00 0.00 C ATOM 682 O ASP A 68 -3.238 2.195 10.347 1.00 0.00 O ATOM 683 CB ASP A 68 -4.620 -0.522 10.879 1.00 0.00 C ATOM 684 CG ASP A 68 -5.183 0.517 11.827 1.00 0.00 C ATOM 685 OD1 ASP A 68 -6.392 0.815 11.732 1.00 0.00 O ATOM 686 OD2 ASP A 68 -4.415 1.033 12.667 1.00 0.00 O ATOM 0 H ASP A 68 -3.455 -1.852 9.133 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.914 0.628 9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.392 -1.257 10.650 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.807 -1.056 11.371 1.00 0.00 H new ATOM 691 N LEU A 69 -1.753 0.670 9.622 1.00 0.00 N ATOM 692 CA LEU A 69 -0.593 1.515 9.881 1.00 0.00 C ATOM 693 C LEU A 69 -0.036 2.115 8.594 1.00 0.00 C ATOM 694 O LEU A 69 0.947 2.856 8.625 1.00 0.00 O ATOM 695 CB LEU A 69 0.494 0.710 10.596 1.00 0.00 C ATOM 696 CG LEU A 69 0.425 0.725 12.127 1.00 0.00 C ATOM 697 CD1 LEU A 69 -0.988 0.433 12.616 1.00 0.00 C ATOM 698 CD2 LEU A 69 1.402 -0.286 12.704 1.00 0.00 C ATOM 0 H LEU A 69 -1.529 -0.245 9.230 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.916 2.337 10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.438 -0.324 10.257 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.467 1.094 10.290 1.00 0.00 H new ATOM 0 HG LEU A 69 0.701 1.722 12.470 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.007 0.450 13.706 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.670 1.190 12.229 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.299 -0.550 12.263 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.345 -0.267 13.792 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.148 -1.283 12.345 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.415 -0.034 12.389 1.00 0.00 H new ATOM 710 N LEU A 70 -0.660 1.794 7.464 1.00 0.00 N ATOM 711 CA LEU A 70 -0.213 2.322 6.179 1.00 0.00 C ATOM 712 C LEU A 70 -0.284 3.851 6.157 1.00 0.00 C ATOM 713 O LEU A 70 0.696 4.509 5.811 1.00 0.00 O ATOM 714 CB LEU A 70 -1.032 1.730 5.026 1.00 0.00 C ATOM 715 CG LEU A 70 -0.699 0.281 4.665 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.657 -0.234 3.603 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.740 0.167 4.183 1.00 0.00 C ATOM 0 H LEU A 70 -1.470 1.176 7.412 1.00 0.00 H new ATOM 0 HA LEU A 70 0.828 2.028 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.089 1.789 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.885 2.350 4.142 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.811 -0.331 5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.407 -1.266 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.678 -0.188 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.574 0.383 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.958 -0.871 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.879 0.792 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.415 0.498 4.972 1.00 0.00 H new ATOM 729 N PRO A 71 -1.442 4.450 6.524 1.00 0.00 N ATOM 730 CA PRO A 71 -1.595 5.909 6.543 1.00 0.00 C ATOM 731 C PRO A 71 -0.724 6.563 7.611 1.00 0.00 C ATOM 732 O PRO A 71 -0.611 7.787 7.671 1.00 0.00 O ATOM 733 CB PRO A 71 -3.082 6.119 6.868 1.00 0.00 C ATOM 734 CG PRO A 71 -3.728 4.803 6.616 1.00 0.00 C ATOM 735 CD PRO A 71 -2.686 3.777 6.938 1.00 0.00 C ATOM 0 HA PRO A 71 -1.288 6.360 5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.218 6.432 7.903 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.516 6.897 6.240 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.612 4.674 7.241 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.055 4.718 5.580 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.678 3.525 7.998 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.847 2.848 6.391 1.00 0.00 H new ATOM 743 N GLU A 72 -0.111 5.735 8.454 1.00 0.00 N ATOM 744 CA GLU A 72 0.749 6.225 9.525 1.00 0.00 C ATOM 745 C GLU A 72 2.200 6.311 9.063 1.00 0.00 C ATOM 746 O GLU A 72 3.004 7.043 9.641 1.00 0.00 O ATOM 747 CB GLU A 72 0.651 5.306 10.743 1.00 0.00 C ATOM 748 CG GLU A 72 -0.774 5.050 11.206 1.00 0.00 C ATOM 749 CD GLU A 72 -1.463 6.309 11.695 1.00 0.00 C ATOM 750 OE1 GLU A 72 -2.065 7.019 10.862 1.00 0.00 O ATOM 751 OE2 GLU A 72 -1.404 6.584 12.913 1.00 0.00 O ATOM 0 H GLU A 72 -0.195 4.719 8.415 1.00 0.00 H new ATOM 0 HA GLU A 72 0.411 7.225 9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.123 4.352 10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.216 5.746 11.565 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.348 4.622 10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.765 4.311 12.007 1.00 0.00 H new ATOM 758 N LEU A 73 2.527 5.557 8.017 1.00 0.00 N ATOM 759 CA LEU A 73 3.883 5.534 7.479 1.00 0.00 C ATOM 760 C LEU A 73 4.314 6.912 6.991 1.00 0.00 C ATOM 761 O LEU A 73 5.399 7.387 7.329 1.00 0.00 O ATOM 762 CB LEU A 73 3.982 4.524 6.333 1.00 0.00 C ATOM 763 CG LEU A 73 3.675 3.073 6.714 1.00 0.00 C ATOM 764 CD1 LEU A 73 3.705 2.182 5.483 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.663 2.572 7.758 1.00 0.00 C ATOM 0 H LEU A 73 1.869 4.953 7.524 1.00 0.00 H new ATOM 0 HA LEU A 73 4.553 5.235 8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.296 4.828 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.988 4.568 5.917 1.00 0.00 H new ATOM 0 HG LEU A 73 2.674 3.036 7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.485 1.154 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.958 2.525 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.693 2.226 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.428 1.539 8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.675 2.625 7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.595 3.193 8.651 1.00 0.00 H new ATOM 777 N CYS A 74 3.461 7.543 6.190 1.00 0.00 N ATOM 778 CA CYS A 74 3.752 8.867 5.642 1.00 0.00 C ATOM 779 C CYS A 74 4.970 8.813 4.725 1.00 0.00 C ATOM 780 O CYS A 74 5.636 7.783 4.625 1.00 0.00 O ATOM 781 CB CYS A 74 3.984 9.877 6.770 1.00 0.00 C ATOM 782 SG CYS A 74 2.582 10.056 7.898 1.00 0.00 S ATOM 0 H CYS A 74 2.560 7.159 5.904 1.00 0.00 H new ATOM 0 HA CYS A 74 2.891 9.190 5.057 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.860 9.572 7.342 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.211 10.849 6.332 1.00 0.00 H new ATOM 0 HG CYS A 74 2.519 9.019 8.680 1.00 0.00 H new ATOM 788 N LEU A 75 5.264 9.926 4.058 1.00 0.00 N ATOM 789 CA LEU A 75 6.405 9.990 3.147 1.00 0.00 C ATOM 790 C LEU A 75 7.715 9.722 3.881 1.00 0.00 C ATOM 791 O LEU A 75 8.756 9.523 3.256 1.00 0.00 O ATOM 792 CB LEU A 75 6.470 11.353 2.449 1.00 0.00 C ATOM 793 CG LEU A 75 5.424 11.587 1.351 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.520 10.514 0.276 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.022 11.632 1.941 1.00 0.00 C ATOM 0 H LEU A 75 4.731 10.793 4.130 1.00 0.00 H new ATOM 0 HA LEU A 75 6.265 9.214 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.360 12.133 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.462 11.470 2.012 1.00 0.00 H new ATOM 0 HG LEU A 75 5.630 12.552 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.769 10.700 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.513 10.537 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.347 9.535 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.297 11.799 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.805 10.686 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.958 12.444 2.666 1.00 0.00 H new ATOM 807 N GLN A 76 7.661 9.720 5.210 1.00 0.00 N ATOM 808 CA GLN A 76 8.849 9.471 6.020 1.00 0.00 C ATOM 809 C GLN A 76 9.215 7.991 6.001 1.00 0.00 C ATOM 810 O GLN A 76 10.289 7.612 5.531 1.00 0.00 O ATOM 811 CB GLN A 76 8.620 9.936 7.460 1.00 0.00 C ATOM 812 CG GLN A 76 9.836 9.760 8.356 1.00 0.00 C ATOM 813 CD GLN A 76 11.050 10.518 7.851 1.00 0.00 C ATOM 814 OE1 GLN A 76 11.269 11.673 8.212 1.00 0.00 O ATOM 815 NE2 GLN A 76 11.845 9.867 7.009 1.00 0.00 N ATOM 0 H GLN A 76 6.810 9.887 5.747 1.00 0.00 H new ATOM 0 HA GLN A 76 9.676 10.038 5.593 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.334 10.988 7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.783 9.381 7.884 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.593 10.101 9.363 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.079 8.700 8.428 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.624 8.909 6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.676 10.325 6.635 1.00 0.00 H new ATOM 824 N ASP A 77 8.315 7.158 6.515 1.00 0.00 N ATOM 825 CA ASP A 77 8.540 5.717 6.557 1.00 0.00 C ATOM 826 C ASP A 77 8.532 5.125 5.152 1.00 0.00 C ATOM 827 O ASP A 77 9.278 4.190 4.857 1.00 0.00 O ATOM 828 CB ASP A 77 7.470 5.038 7.414 1.00 0.00 C ATOM 829 CG ASP A 77 7.588 5.401 8.881 1.00 0.00 C ATOM 830 OD1 ASP A 77 7.006 6.429 9.286 1.00 0.00 O ATOM 831 OD2 ASP A 77 8.262 4.659 9.624 1.00 0.00 O ATOM 0 H ASP A 77 7.423 7.456 6.908 1.00 0.00 H new ATOM 0 HA ASP A 77 9.519 5.540 7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.483 5.323 7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.551 3.957 7.302 1.00 0.00 H new ATOM 836 N CYS A 78 7.685 5.676 4.290 1.00 0.00 N ATOM 837 CA CYS A 78 7.577 5.207 2.913 1.00 0.00 C ATOM 838 C CYS A 78 8.900 5.376 2.178 1.00 0.00 C ATOM 839 O CYS A 78 9.433 4.419 1.615 1.00 0.00 O ATOM 840 CB CYS A 78 6.472 5.968 2.181 1.00 0.00 C ATOM 841 SG CYS A 78 4.808 5.647 2.815 1.00 0.00 S ATOM 0 H CYS A 78 7.062 6.450 4.521 1.00 0.00 H new ATOM 0 HA CYS A 78 7.326 4.146 2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.675 7.037 2.249 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.503 5.705 1.124 1.00 0.00 H new ATOM 0 HG CYS A 78 4.300 4.621 2.200 1.00 0.00 H new ATOM 847 N GLN A 79 9.425 6.597 2.181 1.00 0.00 N ATOM 848 CA GLN A 79 10.688 6.880 1.514 1.00 0.00 C ATOM 849 C GLN A 79 11.811 6.068 2.149 1.00 0.00 C ATOM 850 O GLN A 79 12.778 5.699 1.484 1.00 0.00 O ATOM 851 CB GLN A 79 11.006 8.374 1.582 1.00 0.00 C ATOM 852 CG GLN A 79 12.035 8.826 0.558 1.00 0.00 C ATOM 853 CD GLN A 79 11.759 8.281 -0.827 1.00 0.00 C ATOM 854 OE1 GLN A 79 12.251 7.216 -1.199 1.00 0.00 O ATOM 855 NE2 GLN A 79 10.964 9.011 -1.597 1.00 0.00 N ATOM 0 H GLN A 79 8.996 7.403 2.636 1.00 0.00 H new ATOM 0 HA GLN A 79 10.600 6.595 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.086 8.940 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.370 8.614 2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 79 12.049 9.915 0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 79 13.026 8.506 0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.579 9.888 -1.246 1.00 0.00 H new ATOM 0 HE22 GLN A 79 10.738 8.696 -2.540 1.00 0.00 H new ATOM 864 N ASP A 80 11.668 5.792 3.443 1.00 0.00 N ATOM 865 CA ASP A 80 12.655 5.006 4.173 1.00 0.00 C ATOM 866 C ASP A 80 12.638 3.566 3.679 1.00 0.00 C ATOM 867 O ASP A 80 13.660 2.880 3.676 1.00 0.00 O ATOM 868 CB ASP A 80 12.353 5.041 5.672 1.00 0.00 C ATOM 869 CG ASP A 80 13.381 4.286 6.490 1.00 0.00 C ATOM 870 OD1 ASP A 80 14.438 4.872 6.806 1.00 0.00 O ATOM 871 OD2 ASP A 80 13.129 3.107 6.817 1.00 0.00 O ATOM 0 H ASP A 80 10.877 6.102 4.007 1.00 0.00 H new ATOM 0 HA ASP A 80 13.643 5.434 4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.317 6.077 6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.366 4.613 5.850 1.00 0.00 H new ATOM 876 N LEU A 81 11.459 3.123 3.261 1.00 0.00 N ATOM 877 CA LEU A 81 11.270 1.772 2.754 1.00 0.00 C ATOM 878 C LEU A 81 11.914 1.619 1.379 1.00 0.00 C ATOM 879 O LEU A 81 12.084 0.505 0.881 1.00 0.00 O ATOM 880 CB LEU A 81 9.771 1.456 2.688 1.00 0.00 C ATOM 881 CG LEU A 81 9.261 0.384 3.665 1.00 0.00 C ATOM 882 CD1 LEU A 81 10.011 0.434 4.991 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.771 0.565 3.905 1.00 0.00 C ATOM 0 H LEU A 81 10.610 3.689 3.264 1.00 0.00 H new ATOM 0 HA LEU A 81 11.753 1.066 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.218 2.377 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.532 1.137 1.674 1.00 0.00 H new ATOM 0 HG LEU A 81 9.441 -0.592 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.624 -0.337 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.073 0.263 4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.873 1.413 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.419 -0.199 4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.588 1.552 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.236 0.472 2.960 1.00 0.00 H new ATOM 895 N CYS A 82 12.270 2.748 0.773 1.00 0.00 N ATOM 896 CA CYS A 82 12.906 2.748 -0.540 1.00 0.00 C ATOM 897 C CYS A 82 14.371 3.163 -0.425 1.00 0.00 C ATOM 898 O CYS A 82 14.769 3.798 0.551 1.00 0.00 O ATOM 899 CB CYS A 82 12.169 3.693 -1.491 1.00 0.00 C ATOM 900 SG CYS A 82 12.835 3.721 -3.173 1.00 0.00 S ATOM 0 H CYS A 82 12.128 3.676 1.171 1.00 0.00 H new ATOM 0 HA CYS A 82 12.859 1.736 -0.942 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.119 3.402 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.204 4.703 -1.082 1.00 0.00 H new ATOM 0 HG CYS A 82 12.574 2.592 -3.762 1.00 0.00 H new ATOM 906 N ASP A 83 15.168 2.797 -1.425 1.00 0.00 N ATOM 907 CA ASP A 83 16.588 3.130 -1.435 1.00 0.00 C ATOM 908 C ASP A 83 16.798 4.641 -1.380 1.00 0.00 C ATOM 909 O ASP A 83 17.863 5.115 -0.985 1.00 0.00 O ATOM 910 CB ASP A 83 17.257 2.558 -2.686 1.00 0.00 C ATOM 911 CG ASP A 83 16.652 3.104 -3.965 1.00 0.00 C ATOM 912 OD1 ASP A 83 17.105 4.172 -4.428 1.00 0.00 O ATOM 913 OD2 ASP A 83 15.725 2.462 -4.504 1.00 0.00 O ATOM 0 H ASP A 83 14.854 2.269 -2.239 1.00 0.00 H new ATOM 0 HA ASP A 83 17.044 2.687 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 83 18.322 2.789 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.166 1.472 -2.679 1.00 0.00 H new ATOM 918 N GLY A 84 15.774 5.392 -1.777 1.00 0.00 N ATOM 919 CA GLY A 84 15.866 6.841 -1.766 1.00 0.00 C ATOM 920 C GLY A 84 15.358 7.464 -3.051 1.00 0.00 C ATOM 921 O GLY A 84 16.057 8.255 -3.684 1.00 0.00 O ATOM 0 H GLY A 84 14.882 5.022 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.293 7.232 -0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.904 7.135 -1.609 1.00 0.00 H new ATOM 925 N ASP A 85 14.136 7.107 -3.438 1.00 0.00 N ATOM 926 CA ASP A 85 13.534 7.631 -4.660 1.00 0.00 C ATOM 927 C ASP A 85 12.154 8.220 -4.380 1.00 0.00 C ATOM 928 O ASP A 85 11.250 7.516 -3.927 1.00 0.00 O ATOM 929 CB ASP A 85 13.425 6.524 -5.709 1.00 0.00 C ATOM 930 CG ASP A 85 12.814 7.013 -7.006 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.569 7.516 -7.865 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.582 6.891 -7.162 1.00 0.00 O ATOM 0 H ASP A 85 13.543 6.457 -2.922 1.00 0.00 H new ATOM 0 HA ASP A 85 14.176 8.425 -5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.417 6.118 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.821 5.709 -5.311 1.00 0.00 H new ATOM 937 N LEU A 86 11.997 9.513 -4.660 1.00 0.00 N ATOM 938 CA LEU A 86 10.737 10.204 -4.441 1.00 0.00 C ATOM 939 C LEU A 86 9.594 9.517 -5.173 1.00 0.00 C ATOM 940 O LEU A 86 8.615 9.103 -4.557 1.00 0.00 O ATOM 941 CB LEU A 86 10.854 11.651 -4.915 1.00 0.00 C ATOM 942 CG LEU A 86 11.318 12.660 -3.861 1.00 0.00 C ATOM 943 CD1 LEU A 86 10.409 12.628 -2.640 1.00 0.00 C ATOM 944 CD2 LEU A 86 12.760 12.384 -3.466 1.00 0.00 C ATOM 0 H LEU A 86 12.736 10.103 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 86 10.519 10.181 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.549 11.684 -5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.883 11.970 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 86 11.262 13.659 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.760 13.354 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.390 12.877 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.425 11.631 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.077 13.109 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.838 11.378 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.400 12.467 -4.344 1.00 0.00 H new ATOM 956 N ASN A 87 9.732 9.397 -6.491 1.00 0.00 N ATOM 957 CA ASN A 87 8.711 8.767 -7.322 1.00 0.00 C ATOM 958 C ASN A 87 8.123 7.527 -6.652 1.00 0.00 C ATOM 959 O ASN A 87 6.934 7.242 -6.791 1.00 0.00 O ATOM 960 CB ASN A 87 9.303 8.397 -8.684 1.00 0.00 C ATOM 961 CG ASN A 87 9.545 9.612 -9.557 1.00 0.00 C ATOM 962 OD1 ASN A 87 10.632 10.191 -9.549 1.00 0.00 O ATOM 963 ND2 ASN A 87 8.529 10.005 -10.317 1.00 0.00 N ATOM 0 H ASN A 87 10.546 9.730 -7.008 1.00 0.00 H new ATOM 0 HA ASN A 87 7.902 9.485 -7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.243 7.866 -8.536 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.627 7.713 -9.197 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.632 10.817 -10.926 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.646 9.495 -10.292 1.00 0.00 H new ATOM 970 N LYS A 88 8.956 6.802 -5.912 1.00 0.00 N ATOM 971 CA LYS A 88 8.514 5.598 -5.223 1.00 0.00 C ATOM 972 C LYS A 88 7.585 5.935 -4.062 1.00 0.00 C ATOM 973 O LYS A 88 6.417 5.546 -4.056 1.00 0.00 O ATOM 974 CB LYS A 88 9.719 4.818 -4.710 1.00 0.00 C ATOM 975 CG LYS A 88 9.771 3.382 -5.204 1.00 0.00 C ATOM 976 CD LYS A 88 9.950 3.316 -6.711 1.00 0.00 C ATOM 977 CE LYS A 88 9.830 1.891 -7.224 1.00 0.00 C ATOM 978 NZ LYS A 88 8.452 1.354 -7.055 1.00 0.00 N ATOM 0 H LYS A 88 9.941 7.029 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 88 7.961 4.986 -5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.630 5.332 -5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.704 4.818 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.593 2.858 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.853 2.866 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.201 3.942 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.926 3.720 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.105 1.860 -8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.536 1.253 -6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.356 0.469 -7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.273 1.168 -6.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.763 2.049 -7.406 1.00 0.00 H new ATOM 992 N ALA A 89 8.114 6.659 -3.081 1.00 0.00 N ATOM 993 CA ALA A 89 7.339 7.046 -1.905 1.00 0.00 C ATOM 994 C ALA A 89 6.104 7.858 -2.282 1.00 0.00 C ATOM 995 O ALA A 89 4.988 7.525 -1.888 1.00 0.00 O ATOM 996 CB ALA A 89 8.206 7.834 -0.935 1.00 0.00 C ATOM 0 H ALA A 89 9.079 6.991 -3.076 1.00 0.00 H new ATOM 0 HA ALA A 89 7.000 6.130 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.614 8.115 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.049 7.219 -0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.577 8.733 -1.427 1.00 0.00 H new ATOM 1002 N ILE A 90 6.315 8.929 -3.041 1.00 0.00 N ATOM 1003 CA ILE A 90 5.224 9.799 -3.465 1.00 0.00 C ATOM 1004 C ILE A 90 4.067 9.003 -4.070 1.00 0.00 C ATOM 1005 O ILE A 90 2.924 9.130 -3.630 1.00 0.00 O ATOM 1006 CB ILE A 90 5.711 10.850 -4.483 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.944 11.580 -3.937 1.00 0.00 C ATOM 1008 CG2 ILE A 90 4.592 11.833 -4.804 1.00 0.00 C ATOM 1009 CD1 ILE A 90 7.484 12.651 -4.863 1.00 0.00 C ATOM 0 H ILE A 90 7.235 9.216 -3.376 1.00 0.00 H new ATOM 0 HA ILE A 90 4.865 10.308 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 90 5.993 10.346 -5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.690 12.035 -2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.730 10.850 -3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.950 12.569 -5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.744 11.294 -5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.280 12.340 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 90 8.355 13.121 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.771 12.200 -5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.715 13.404 -5.037 1.00 0.00 H new ATOM 1021 N LYS A 91 4.363 8.184 -5.078 1.00 0.00 N ATOM 1022 CA LYS A 91 3.333 7.374 -5.728 1.00 0.00 C ATOM 1023 C LYS A 91 2.744 6.359 -4.754 1.00 0.00 C ATOM 1024 O LYS A 91 1.567 6.012 -4.838 1.00 0.00 O ATOM 1025 CB LYS A 91 3.911 6.643 -6.944 1.00 0.00 C ATOM 1026 CG LYS A 91 4.276 7.563 -8.098 1.00 0.00 C ATOM 1027 CD LYS A 91 3.038 8.155 -8.756 1.00 0.00 C ATOM 1028 CE LYS A 91 3.411 9.128 -9.863 1.00 0.00 C ATOM 1029 NZ LYS A 91 4.252 8.484 -10.910 1.00 0.00 N ATOM 0 H LYS A 91 5.301 8.064 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 91 2.540 8.045 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.800 6.092 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.185 5.908 -7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.915 8.367 -7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.852 7.008 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.423 7.354 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.435 8.668 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.504 9.524 -10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.948 9.975 -9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.329 9.117 -11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.200 8.297 -10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.814 7.588 -11.204 1.00 0.00 H new ATOM 1043 N PHE A 92 3.577 5.891 -3.832 1.00 0.00 N ATOM 1044 CA PHE A 92 3.156 4.908 -2.840 1.00 0.00 C ATOM 1045 C PHE A 92 2.064 5.475 -1.932 1.00 0.00 C ATOM 1046 O PHE A 92 0.929 4.994 -1.932 1.00 0.00 O ATOM 1047 CB PHE A 92 4.367 4.465 -2.012 1.00 0.00 C ATOM 1048 CG PHE A 92 4.064 3.434 -0.958 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.175 2.398 -1.206 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.680 3.501 0.279 1.00 0.00 C ATOM 1051 CE1 PHE A 92 2.909 1.449 -0.236 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.418 2.556 1.253 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.531 1.529 0.995 1.00 0.00 C ATOM 0 H PHE A 92 4.552 6.178 -3.750 1.00 0.00 H new ATOM 0 HA PHE A 92 2.739 4.045 -3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.124 4.064 -2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.801 5.341 -1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.686 2.332 -2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.374 4.302 0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.216 0.646 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.906 2.620 2.214 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.324 0.790 1.755 1.00 0.00 H new ATOM 1063 N LYS A 93 2.416 6.505 -1.165 1.00 0.00 N ATOM 1064 CA LYS A 93 1.478 7.147 -0.249 1.00 0.00 C ATOM 1065 C LYS A 93 0.191 7.552 -0.966 1.00 0.00 C ATOM 1066 O LYS A 93 -0.900 7.453 -0.402 1.00 0.00 O ATOM 1067 CB LYS A 93 2.130 8.375 0.394 1.00 0.00 C ATOM 1068 CG LYS A 93 1.202 9.163 1.307 1.00 0.00 C ATOM 1069 CD LYS A 93 0.773 8.345 2.515 1.00 0.00 C ATOM 1070 CE LYS A 93 -0.068 9.169 3.477 1.00 0.00 C ATOM 1071 NZ LYS A 93 -0.543 8.360 4.632 1.00 0.00 N ATOM 0 H LYS A 93 3.350 6.914 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 93 1.219 6.428 0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.000 8.053 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.494 9.035 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.705 10.070 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.320 9.476 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.203 7.477 2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.655 7.968 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.519 10.012 3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.926 9.583 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.566 8.954 5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.499 8.000 4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.103 7.560 4.784 1.00 0.00 H new ATOM 1085 N ILE A 94 0.323 8.007 -2.208 1.00 0.00 N ATOM 1086 CA ILE A 94 -0.832 8.424 -2.996 1.00 0.00 C ATOM 1087 C ILE A 94 -1.820 7.277 -3.180 1.00 0.00 C ATOM 1088 O ILE A 94 -2.970 7.361 -2.750 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.413 8.944 -4.385 1.00 0.00 C ATOM 1090 CG1 ILE A 94 0.172 10.356 -4.272 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.601 8.924 -5.338 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.772 10.871 -5.564 1.00 0.00 C ATOM 0 H ILE A 94 1.217 8.096 -2.690 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.311 9.231 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 94 0.358 8.287 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.612 11.040 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.939 10.361 -3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.290 9.294 -6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.971 7.903 -5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.394 9.560 -4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.166 11.875 -5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.579 10.210 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.003 10.899 -6.336 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.362 6.216 -3.838 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.201 5.051 -4.091 1.00 0.00 C ATOM 1106 C LEU A 95 -2.922 4.614 -2.827 1.00 0.00 C ATOM 1107 O LEU A 95 -4.036 4.093 -2.886 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.359 3.899 -4.635 1.00 0.00 C ATOM 1109 CG LEU A 95 -0.703 4.159 -5.991 1.00 0.00 C ATOM 1110 CD1 LEU A 95 0.200 2.998 -6.372 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -1.759 4.388 -7.063 1.00 0.00 C ATOM 0 H LEU A 95 -0.414 6.140 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.948 5.329 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.579 3.666 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.991 3.015 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.095 5.060 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.660 3.197 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.978 2.879 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.389 2.083 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.272 4.571 -8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.394 3.506 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.368 5.251 -6.795 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.284 4.828 -1.682 1.00 0.00 N ATOM 1124 CA ILE A 96 -2.885 4.458 -0.412 1.00 0.00 C ATOM 1125 C ILE A 96 -4.101 5.327 -0.117 1.00 0.00 C ATOM 1126 O ILE A 96 -5.131 4.835 0.342 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.880 4.565 0.753 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.686 3.638 0.507 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.559 4.227 2.073 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.403 3.756 1.552 1.00 0.00 C ATOM 0 H ILE A 96 -1.359 5.252 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.196 3.417 -0.499 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.516 5.591 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.038 2.607 0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.262 3.858 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.836 4.307 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.380 4.922 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.947 3.209 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.215 3.070 1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.784 4.777 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.004 3.506 2.532 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.973 6.623 -0.387 1.00 0.00 N ATOM 1143 CA ASN A 97 -5.065 7.562 -0.162 1.00 0.00 C ATOM 1144 C ASN A 97 -6.291 7.162 -0.976 1.00 0.00 C ATOM 1145 O ASN A 97 -7.427 7.306 -0.521 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.629 8.981 -0.532 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.757 9.987 -0.404 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -6.487 10.242 -1.362 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -5.903 10.563 0.783 1.00 0.00 N ATOM 0 H ASN A 97 -3.124 7.046 -0.762 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.327 7.538 0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.802 9.283 0.111 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.255 8.987 -1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.644 11.248 0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.274 10.320 1.548 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.051 6.658 -2.183 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.133 6.228 -3.064 1.00 0.00 C ATOM 1158 C LYS A 98 -7.840 5.002 -2.495 1.00 0.00 C ATOM 1159 O LYS A 98 -9.065 4.898 -2.554 1.00 0.00 O ATOM 1160 CB LYS A 98 -6.592 5.908 -4.459 1.00 0.00 C ATOM 1161 CG LYS A 98 -6.426 7.127 -5.355 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.357 8.072 -4.829 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.020 9.148 -5.849 1.00 0.00 C ATOM 1164 NZ LYS A 98 -6.228 9.900 -6.285 1.00 0.00 N ATOM 0 H LYS A 98 -5.117 6.537 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.851 7.045 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.627 5.411 -4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.265 5.202 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.163 6.805 -6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.376 7.657 -5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.703 8.538 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.458 7.507 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.297 9.841 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.546 8.689 -6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.938 10.746 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.814 9.293 -6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.778 10.187 -5.450 1.00 0.00 H new ATOM 1178 N MET A 99 -7.059 4.077 -1.948 1.00 0.00 N ATOM 1179 CA MET A 99 -7.606 2.854 -1.373 1.00 0.00 C ATOM 1180 C MET A 99 -8.442 3.159 -0.133 1.00 0.00 C ATOM 1181 O MET A 99 -9.397 2.444 0.176 1.00 0.00 O ATOM 1182 CB MET A 99 -6.475 1.886 -1.016 1.00 0.00 C ATOM 1183 CG MET A 99 -6.960 0.518 -0.565 1.00 0.00 C ATOM 1184 SD MET A 99 -7.915 -0.335 -1.836 1.00 0.00 S ATOM 1185 CE MET A 99 -8.270 -1.884 -1.010 1.00 0.00 C ATOM 0 H MET A 99 -6.043 4.151 -1.891 1.00 0.00 H new ATOM 0 HA MET A 99 -8.253 2.390 -2.117 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.826 1.764 -1.883 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.869 2.326 -0.224 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.102 -0.094 -0.289 1.00 0.00 H new ATOM 0 HG3 MET A 99 -7.572 0.631 0.330 1.00 0.00 H new ATOM 0 HE1 MET A 99 -8.944 -2.479 -1.626 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.342 -2.434 -0.853 1.00 0.00 H new ATOM 0 HE3 MET A 99 -8.740 -1.684 -0.047 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.078 4.224 0.573 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.792 4.624 1.780 1.00 0.00 C ATOM 1197 C ARG A 100 -10.147 5.235 1.434 1.00 0.00 C ATOM 1198 O ARG A 100 -11.172 4.860 2.005 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.955 5.622 2.582 1.00 0.00 C ATOM 1200 CG ARG A 100 -8.604 6.057 3.886 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.690 6.976 4.682 1.00 0.00 C ATOM 1202 NE ARG A 100 -8.300 7.403 5.939 1.00 0.00 N ATOM 1203 CZ ARG A 100 -7.604 7.809 6.995 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -6.278 7.833 6.952 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -8.231 8.191 8.100 1.00 0.00 N ATOM 0 H ARG A 100 -7.292 4.826 0.330 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.962 3.734 2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.985 5.176 2.801 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.769 6.503 1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.542 6.570 3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.849 5.179 4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.752 6.462 4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.446 7.853 4.082 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.317 7.389 6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.790 7.539 6.106 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.747 8.145 7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.250 8.173 8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.694 8.502 8.909 1.00 0.00 H new ATOM 1219 N ASP A 101 -10.144 6.177 0.495 1.00 0.00 N ATOM 1220 CA ASP A 101 -11.371 6.841 0.070 1.00 0.00 C ATOM 1221 C ASP A 101 -12.180 5.944 -0.860 1.00 0.00 C ATOM 1222 O ASP A 101 -13.359 6.194 -1.112 1.00 0.00 O ATOM 1223 CB ASP A 101 -11.039 8.155 -0.635 1.00 0.00 C ATOM 1224 CG ASP A 101 -12.278 8.965 -0.966 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -12.716 9.759 -0.106 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -12.810 8.806 -2.084 1.00 0.00 O ATOM 0 H ASP A 101 -9.304 6.498 0.014 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.971 7.049 0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.380 8.748 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.491 7.943 -1.553 1.00 0.00 H new