USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 812 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 35 THR OG1 : rot 180:sc= 0.0237 USER MOD Set 1.2: A 38 SER OG : rot 76:sc= 0.695 USER MOD Single : A 16 ASN : amide:sc= -0.149 K(o=-0.15,f=-3.7!) USER MOD Single : A 17 MET CE :methyl -136:sc= -0.27 (180deg=-1.01) USER MOD Single : A 26 CYS SG : rot 180:sc= -3.4! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -18:sc= -0.163! USER MOD Single : A 37 LYS NZ :NH3+ -132:sc= -0.0063 (180deg=-0.2) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.125 K(o=-0.13,f=-1.6) USER MOD Single : A 50 MET CE :methyl 150:sc= -2.67 (180deg=-6.15!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.835 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 180:sc= -0.21 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -132:sc= -0.251 USER MOD Single : A 103 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 105 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 107 LYS NZ :NH3+ -149:sc= -1.3 (180deg=-2.44!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 13 3.315 1.609 13.418 1.00 0.00 N ATOM 161 CA LEU A 13 3.626 0.626 12.394 1.00 0.00 C ATOM 162 C LEU A 13 5.132 0.632 12.127 1.00 0.00 C ATOM 163 O LEU A 13 5.813 -0.364 12.364 1.00 0.00 O ATOM 164 CB LEU A 13 2.778 0.868 11.144 1.00 0.00 C ATOM 165 CG LEU A 13 1.284 0.567 11.277 1.00 0.00 C ATOM 166 CD1 LEU A 13 0.478 1.304 10.206 1.00 0.00 C ATOM 167 CD2 LEU A 13 1.025 -0.941 11.253 1.00 0.00 C ATOM 0 HA LEU A 13 3.368 -0.376 12.737 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.893 1.911 10.848 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.180 0.260 10.333 1.00 0.00 H new ATOM 0 HG LEU A 13 0.946 0.937 12.245 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.581 1.072 10.324 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.628 2.378 10.312 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.811 0.987 9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.045 -1.128 11.349 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.383 -1.357 10.311 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.552 -1.414 12.082 1.00 0.00 H new ATOM 179 N PHE A 14 5.609 1.768 11.637 1.00 0.00 N ATOM 180 CA PHE A 14 7.022 1.917 11.335 1.00 0.00 C ATOM 181 C PHE A 14 7.833 2.154 12.610 1.00 0.00 C ATOM 182 O PHE A 14 8.548 3.150 12.720 1.00 0.00 O ATOM 183 CB PHE A 14 7.158 3.139 10.424 1.00 0.00 C ATOM 184 CG PHE A 14 6.161 3.163 9.263 1.00 0.00 C ATOM 185 CD1 PHE A 14 6.069 2.098 8.423 1.00 0.00 C ATOM 186 CD2 PHE A 14 5.367 4.251 9.072 1.00 0.00 C ATOM 187 CE1 PHE A 14 5.143 2.121 7.346 1.00 0.00 C ATOM 188 CE2 PHE A 14 4.442 4.274 7.995 1.00 0.00 C ATOM 189 CZ PHE A 14 4.349 3.208 7.155 1.00 0.00 C ATOM 0 H PHE A 14 5.042 2.593 11.442 1.00 0.00 H new ATOM 0 HA PHE A 14 7.399 1.011 10.860 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.026 4.041 11.021 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.170 3.168 10.021 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.700 1.235 8.575 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.440 5.097 9.739 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.070 1.275 6.679 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.812 5.138 7.843 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.645 3.225 6.337 1.00 0.00 H new ATOM 199 N GLU A 15 7.696 1.223 13.543 1.00 0.00 N ATOM 200 CA GLU A 15 8.407 1.319 14.806 1.00 0.00 C ATOM 201 C GLU A 15 9.735 0.564 14.726 1.00 0.00 C ATOM 202 O GLU A 15 10.787 1.117 15.042 1.00 0.00 O ATOM 203 CB GLU A 15 7.548 0.796 15.959 1.00 0.00 C ATOM 204 CG GLU A 15 6.794 1.938 16.644 1.00 0.00 C ATOM 205 CD GLU A 15 7.297 2.148 18.073 1.00 0.00 C ATOM 206 OE1 GLU A 15 6.926 1.320 18.933 1.00 0.00 O ATOM 207 OE2 GLU A 15 8.041 3.132 18.274 1.00 0.00 O ATOM 0 H GLU A 15 7.103 0.398 13.449 1.00 0.00 H new ATOM 0 HA GLU A 15 8.620 2.370 15.002 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.837 0.060 15.583 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.180 0.286 16.686 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.921 2.857 16.072 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.727 1.716 16.659 1.00 0.00 H new ATOM 214 N ASN A 16 9.643 -0.688 14.301 1.00 0.00 N ATOM 215 CA ASN A 16 10.825 -1.524 14.175 1.00 0.00 C ATOM 216 C ASN A 16 11.427 -1.342 12.781 1.00 0.00 C ATOM 217 O ASN A 16 12.632 -1.508 12.594 1.00 0.00 O ATOM 218 CB ASN A 16 10.474 -3.003 14.349 1.00 0.00 C ATOM 219 CG ASN A 16 9.627 -3.507 13.180 1.00 0.00 C ATOM 220 OD1 ASN A 16 8.513 -3.064 12.950 1.00 0.00 O ATOM 221 ND2 ASN A 16 10.213 -4.455 12.455 1.00 0.00 N ATOM 0 H ASN A 16 8.769 -1.143 14.040 1.00 0.00 H new ATOM 0 HA ASN A 16 11.532 -1.227 14.950 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.389 -3.591 14.420 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.931 -3.144 15.283 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.728 -4.856 11.652 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.147 -4.781 12.702 1.00 0.00 H new ATOM 228 N MET A 17 10.562 -1.002 11.837 1.00 0.00 N ATOM 229 CA MET A 17 10.993 -0.795 10.465 1.00 0.00 C ATOM 230 C MET A 17 12.146 0.209 10.398 1.00 0.00 C ATOM 231 O MET A 17 12.107 1.248 11.054 1.00 0.00 O ATOM 232 CB MET A 17 9.817 -0.279 9.632 1.00 0.00 C ATOM 233 CG MET A 17 9.639 -1.112 8.361 1.00 0.00 C ATOM 234 SD MET A 17 8.181 -0.578 7.481 1.00 0.00 S ATOM 235 CE MET A 17 7.086 -1.941 7.840 1.00 0.00 C ATOM 0 H MET A 17 9.564 -0.865 11.995 1.00 0.00 H new ATOM 0 HA MET A 17 11.342 -1.748 10.066 1.00 0.00 H new ATOM 0 HB2 MET A 17 8.903 -0.314 10.225 1.00 0.00 H new ATOM 0 HB3 MET A 17 9.985 0.765 9.367 1.00 0.00 H new ATOM 0 HG2 MET A 17 10.517 -1.009 7.723 1.00 0.00 H new ATOM 0 HG3 MET A 17 9.553 -2.168 8.617 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.559 -2.233 6.932 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.666 -2.786 8.211 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.363 -1.637 8.597 1.00 0.00 H new ATOM 245 N ASP A 18 13.144 -0.138 9.599 1.00 0.00 N ATOM 246 CA ASP A 18 14.306 0.720 9.438 1.00 0.00 C ATOM 247 C ASP A 18 14.082 1.655 8.248 1.00 0.00 C ATOM 248 O ASP A 18 13.402 1.294 7.289 1.00 0.00 O ATOM 249 CB ASP A 18 15.565 -0.104 9.161 1.00 0.00 C ATOM 250 CG ASP A 18 16.880 0.670 9.263 1.00 0.00 C ATOM 251 OD1 ASP A 18 16.909 1.638 10.053 1.00 0.00 O ATOM 252 OD2 ASP A 18 17.827 0.278 8.547 1.00 0.00 O ATOM 0 H ASP A 18 13.172 -1.001 9.056 1.00 0.00 H new ATOM 0 HA ASP A 18 14.440 1.284 10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.597 -0.938 9.862 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.489 -0.531 8.161 1.00 0.00 H new ATOM 257 N GLU A 19 14.668 2.839 8.348 1.00 0.00 N ATOM 258 CA GLU A 19 14.542 3.829 7.292 1.00 0.00 C ATOM 259 C GLU A 19 14.731 3.172 5.923 1.00 0.00 C ATOM 260 O GLU A 19 13.880 3.303 5.045 1.00 0.00 O ATOM 261 CB GLU A 19 15.536 4.975 7.493 1.00 0.00 C ATOM 262 CG GLU A 19 15.075 5.912 8.611 1.00 0.00 C ATOM 263 CD GLU A 19 16.197 6.152 9.622 1.00 0.00 C ATOM 264 OE1 GLU A 19 16.457 5.221 10.415 1.00 0.00 O ATOM 265 OE2 GLU A 19 16.770 7.263 9.580 1.00 0.00 O ATOM 0 H GLU A 19 15.232 3.135 9.145 1.00 0.00 H new ATOM 0 HA GLU A 19 13.538 4.251 7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.519 4.570 7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.642 5.536 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.755 6.863 8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.210 5.483 9.117 1.00 0.00 H new ATOM 272 N ARG A 20 15.852 2.479 5.785 1.00 0.00 N ATOM 273 CA ARG A 20 16.164 1.802 4.538 1.00 0.00 C ATOM 274 C ARG A 20 14.952 1.006 4.049 1.00 0.00 C ATOM 275 O ARG A 20 14.701 0.926 2.848 1.00 0.00 O ATOM 276 CB ARG A 20 17.353 0.854 4.709 1.00 0.00 C ATOM 277 CG ARG A 20 18.616 1.624 5.101 1.00 0.00 C ATOM 278 CD ARG A 20 19.150 2.438 3.921 1.00 0.00 C ATOM 279 NE ARG A 20 20.160 1.651 3.179 1.00 0.00 N ATOM 280 CZ ARG A 20 21.340 1.272 3.689 1.00 0.00 C ATOM 281 NH1 ARG A 20 21.665 1.605 4.945 1.00 0.00 N ATOM 282 NH2 ARG A 20 22.195 0.559 2.942 1.00 0.00 N ATOM 0 H ARG A 20 16.555 2.372 6.516 1.00 0.00 H new ATOM 0 HA ARG A 20 16.424 2.564 3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.124 0.111 5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.527 0.312 3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.396 2.289 5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.381 0.926 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.330 2.712 3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.593 3.367 4.280 1.00 0.00 H new ATOM 0 HE ARG A 20 19.945 1.380 2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 20 21.014 2.147 5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.563 1.316 5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.947 0.305 1.986 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.093 0.271 3.330 1.00 0.00 H new ATOM 296 N LEU A 21 14.233 0.436 5.006 1.00 0.00 N ATOM 297 CA LEU A 21 13.054 -0.351 4.687 1.00 0.00 C ATOM 298 C LEU A 21 11.905 0.588 4.315 1.00 0.00 C ATOM 299 O LEU A 21 11.054 0.240 3.497 1.00 0.00 O ATOM 300 CB LEU A 21 12.721 -1.305 5.836 1.00 0.00 C ATOM 301 CG LEU A 21 11.955 -2.574 5.454 1.00 0.00 C ATOM 302 CD1 LEU A 21 12.774 -3.440 4.495 1.00 0.00 C ATOM 303 CD2 LEU A 21 11.522 -3.349 6.699 1.00 0.00 C ATOM 0 H LEU A 21 14.444 0.504 6.002 1.00 0.00 H new ATOM 0 HA LEU A 21 13.241 -0.985 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.653 -1.599 6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.135 -0.760 6.576 1.00 0.00 H new ATOM 0 HG LEU A 21 11.047 -2.280 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.207 -4.335 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.989 -2.875 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.710 -3.728 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.980 -4.246 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.403 -3.633 7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.874 -2.721 7.311 1.00 0.00 H new ATOM 315 N LEU A 22 11.917 1.760 4.932 1.00 0.00 N ATOM 316 CA LEU A 22 10.887 2.752 4.675 1.00 0.00 C ATOM 317 C LEU A 22 10.977 3.210 3.218 1.00 0.00 C ATOM 318 O LEU A 22 9.980 3.205 2.499 1.00 0.00 O ATOM 319 CB LEU A 22 10.980 3.896 5.687 1.00 0.00 C ATOM 320 CG LEU A 22 10.137 3.741 6.954 1.00 0.00 C ATOM 321 CD1 LEU A 22 8.646 3.876 6.640 1.00 0.00 C ATOM 322 CD2 LEU A 22 10.456 2.427 7.668 1.00 0.00 C ATOM 0 H LEU A 22 12.624 2.045 5.610 1.00 0.00 H new ATOM 0 HA LEU A 22 9.897 2.317 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.023 4.011 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.685 4.820 5.189 1.00 0.00 H new ATOM 0 HG LEU A 22 10.396 4.549 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.069 3.762 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.452 4.858 6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.353 3.104 5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.843 2.342 8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.243 1.590 7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.510 2.410 7.946 1.00 0.00 H new ATOM 334 N ASP A 23 12.183 3.596 2.827 1.00 0.00 N ATOM 335 CA ASP A 23 12.417 4.056 1.468 1.00 0.00 C ATOM 336 C ASP A 23 12.070 2.934 0.487 1.00 0.00 C ATOM 337 O ASP A 23 11.254 3.122 -0.413 1.00 0.00 O ATOM 338 CB ASP A 23 13.886 4.430 1.259 1.00 0.00 C ATOM 339 CG ASP A 23 14.130 5.547 0.242 1.00 0.00 C ATOM 340 OD1 ASP A 23 13.629 5.400 -0.893 1.00 0.00 O ATOM 341 OD2 ASP A 23 14.812 6.522 0.624 1.00 0.00 O ATOM 0 H ASP A 23 13.008 3.600 3.427 1.00 0.00 H new ATOM 0 HA ASP A 23 11.793 4.933 1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.308 4.733 2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.430 3.541 0.938 1.00 0.00 H new ATOM 346 N ALA A 24 12.709 1.792 0.695 1.00 0.00 N ATOM 347 CA ALA A 24 12.478 0.640 -0.160 1.00 0.00 C ATOM 348 C ALA A 24 10.972 0.403 -0.294 1.00 0.00 C ATOM 349 O ALA A 24 10.479 0.130 -1.387 1.00 0.00 O ATOM 350 CB ALA A 24 13.210 -0.576 0.413 1.00 0.00 C ATOM 0 H ALA A 24 13.386 1.640 1.443 1.00 0.00 H new ATOM 0 HA ALA A 24 12.874 0.819 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.037 -1.440 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.279 -0.368 0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.836 -0.787 1.415 1.00 0.00 H new ATOM 356 N ILE A 25 10.285 0.516 0.833 1.00 0.00 N ATOM 357 CA ILE A 25 8.846 0.318 0.854 1.00 0.00 C ATOM 358 C ILE A 25 8.167 1.451 0.081 1.00 0.00 C ATOM 359 O ILE A 25 7.264 1.208 -0.717 1.00 0.00 O ATOM 360 CB ILE A 25 8.347 0.170 2.293 1.00 0.00 C ATOM 361 CG1 ILE A 25 8.689 -1.211 2.853 1.00 0.00 C ATOM 362 CG2 ILE A 25 6.850 0.472 2.388 1.00 0.00 C ATOM 363 CD1 ILE A 25 8.428 -1.273 4.360 1.00 0.00 C ATOM 0 H ILE A 25 10.698 0.742 1.738 1.00 0.00 H new ATOM 0 HA ILE A 25 8.582 -0.613 0.352 1.00 0.00 H new ATOM 0 HB ILE A 25 8.864 0.905 2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.094 -1.970 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.736 -1.440 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.521 0.360 3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.663 1.494 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.298 -0.222 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.680 -2.266 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.043 -0.529 4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.375 -1.068 4.556 1.00 0.00 H new ATOM 375 N CYS A 26 8.630 2.664 0.345 1.00 0.00 N ATOM 376 CA CYS A 26 8.079 3.835 -0.316 1.00 0.00 C ATOM 377 C CYS A 26 8.219 3.644 -1.827 1.00 0.00 C ATOM 378 O CYS A 26 7.252 3.808 -2.569 1.00 0.00 O ATOM 379 CB CYS A 26 8.753 5.123 0.161 1.00 0.00 C ATOM 380 SG CYS A 26 7.665 6.557 -0.166 1.00 0.00 S ATOM 0 H CYS A 26 9.380 2.861 1.007 1.00 0.00 H new ATOM 0 HA CYS A 26 7.025 3.938 -0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.970 5.056 1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.706 5.255 -0.351 1.00 0.00 H new ATOM 0 HG CYS A 26 8.246 7.645 0.245 1.00 0.00 H new ATOM 386 N GLU A 27 9.431 3.300 -2.238 1.00 0.00 N ATOM 387 CA GLU A 27 9.709 3.084 -3.648 1.00 0.00 C ATOM 388 C GLU A 27 8.639 2.186 -4.270 1.00 0.00 C ATOM 389 O GLU A 27 8.397 2.244 -5.474 1.00 0.00 O ATOM 390 CB GLU A 27 11.106 2.491 -3.846 1.00 0.00 C ATOM 391 CG GLU A 27 12.039 3.500 -4.519 1.00 0.00 C ATOM 392 CD GLU A 27 12.598 2.940 -5.829 1.00 0.00 C ATOM 393 OE1 GLU A 27 11.834 2.224 -6.512 1.00 0.00 O ATOM 394 OE2 GLU A 27 13.776 3.242 -6.118 1.00 0.00 O ATOM 0 H GLU A 27 10.231 3.166 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 27 9.684 4.049 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.519 2.195 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.039 1.589 -4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.498 4.426 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.860 3.748 -3.846 1.00 0.00 H new ATOM 401 N ARG A 28 8.025 1.376 -3.419 1.00 0.00 N ATOM 402 CA ARG A 28 6.985 0.466 -3.870 1.00 0.00 C ATOM 403 C ARG A 28 5.677 1.226 -4.098 1.00 0.00 C ATOM 404 O ARG A 28 5.002 1.018 -5.105 1.00 0.00 O ATOM 405 CB ARG A 28 6.748 -0.649 -2.850 1.00 0.00 C ATOM 406 CG ARG A 28 6.650 -2.011 -3.539 1.00 0.00 C ATOM 407 CD ARG A 28 5.317 -2.157 -4.276 1.00 0.00 C ATOM 408 NE ARG A 28 5.532 -2.815 -5.585 1.00 0.00 N ATOM 409 CZ ARG A 28 5.812 -2.158 -6.718 1.00 0.00 C ATOM 410 NH1 ARG A 28 5.914 -0.822 -6.711 1.00 0.00 N ATOM 411 NH2 ARG A 28 5.992 -2.837 -7.859 1.00 0.00 N ATOM 0 H ARG A 28 8.228 1.331 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 28 7.318 0.020 -4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.562 -0.662 -2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.830 -0.451 -2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.474 -2.127 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.750 -2.805 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.622 -2.743 -3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.864 -1.177 -4.422 1.00 0.00 H new ATOM 0 HE ARG A 28 5.463 -3.832 -5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.778 -0.305 -5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.127 -0.322 -7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.916 -3.854 -7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.205 -2.337 -8.722 1.00 0.00 H new ATOM 425 N LEU A 29 5.359 2.091 -3.146 1.00 0.00 N ATOM 426 CA LEU A 29 4.144 2.883 -3.230 1.00 0.00 C ATOM 427 C LEU A 29 3.922 3.316 -4.681 1.00 0.00 C ATOM 428 O LEU A 29 4.592 4.224 -5.170 1.00 0.00 O ATOM 429 CB LEU A 29 4.194 4.049 -2.241 1.00 0.00 C ATOM 430 CG LEU A 29 4.349 3.671 -0.767 1.00 0.00 C ATOM 431 CD1 LEU A 29 4.759 4.884 0.070 1.00 0.00 C ATOM 432 CD2 LEU A 29 3.076 3.011 -0.233 1.00 0.00 C ATOM 0 H LEU A 29 5.922 2.261 -2.312 1.00 0.00 H new ATOM 0 HA LEU A 29 3.280 2.286 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.024 4.699 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.280 4.633 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 29 5.151 2.937 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.862 4.588 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.711 5.272 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.996 5.658 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.213 2.752 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.239 3.703 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.867 2.107 -0.805 1.00 0.00 H new ATOM 444 N LYS A 30 2.980 2.646 -5.328 1.00 0.00 N ATOM 445 CA LYS A 30 2.661 2.951 -6.712 1.00 0.00 C ATOM 446 C LYS A 30 1.557 4.009 -6.757 1.00 0.00 C ATOM 447 O LYS A 30 0.818 4.181 -5.789 1.00 0.00 O ATOM 448 CB LYS A 30 2.317 1.671 -7.477 1.00 0.00 C ATOM 449 CG LYS A 30 3.457 1.270 -8.416 1.00 0.00 C ATOM 450 CD LYS A 30 2.944 1.059 -9.842 1.00 0.00 C ATOM 451 CE LYS A 30 3.137 -0.393 -10.284 1.00 0.00 C ATOM 452 NZ LYS A 30 1.941 -1.199 -9.953 1.00 0.00 N ATOM 0 H LYS A 30 2.427 1.893 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 30 3.529 3.375 -7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.121 0.863 -6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.403 1.821 -8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.225 2.044 -8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.925 0.354 -8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.887 1.322 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.473 1.724 -10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.323 -0.431 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.014 -0.815 -9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.089 -2.182 -10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.781 -1.177 -8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.111 -0.805 -10.441 1.00 0.00 H new ATOM 466 N PRO A 31 1.479 4.710 -7.920 1.00 0.00 N ATOM 467 CA PRO A 31 0.478 5.747 -8.103 1.00 0.00 C ATOM 468 C PRO A 31 -0.906 5.138 -8.336 1.00 0.00 C ATOM 469 O PRO A 31 -1.164 4.558 -9.390 1.00 0.00 O ATOM 470 CB PRO A 31 0.972 6.567 -9.283 1.00 0.00 C ATOM 471 CG PRO A 31 1.981 5.690 -10.007 1.00 0.00 C ATOM 472 CD PRO A 31 2.338 4.534 -9.087 1.00 0.00 C ATOM 0 HA PRO A 31 0.358 6.376 -7.221 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.147 6.839 -9.942 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.432 7.496 -8.947 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.562 5.318 -10.942 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.872 6.264 -10.262 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.158 3.574 -9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.392 4.559 -8.810 1.00 0.00 H new ATOM 480 N CYS A 32 -1.761 5.290 -7.335 1.00 0.00 N ATOM 481 CA CYS A 32 -3.112 4.762 -7.417 1.00 0.00 C ATOM 482 C CYS A 32 -4.040 5.693 -6.635 1.00 0.00 C ATOM 483 O CYS A 32 -3.605 6.371 -5.706 1.00 0.00 O ATOM 484 CB CYS A 32 -3.188 3.321 -6.909 1.00 0.00 C ATOM 485 SG CYS A 32 -1.866 2.315 -7.676 1.00 0.00 S ATOM 0 H CYS A 32 -1.544 5.772 -6.462 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.429 4.727 -8.459 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.086 3.304 -5.824 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.163 2.895 -7.144 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.412 2.926 -8.730 1.00 0.00 H new ATOM 491 N LEU A 33 -5.301 5.696 -7.041 1.00 0.00 N ATOM 492 CA LEU A 33 -6.295 6.533 -6.389 1.00 0.00 C ATOM 493 C LEU A 33 -7.622 5.777 -6.314 1.00 0.00 C ATOM 494 O LEU A 33 -7.909 4.932 -7.161 1.00 0.00 O ATOM 495 CB LEU A 33 -6.398 7.888 -7.093 1.00 0.00 C ATOM 496 CG LEU A 33 -7.308 8.922 -6.427 1.00 0.00 C ATOM 497 CD1 LEU A 33 -6.490 10.072 -5.836 1.00 0.00 C ATOM 498 CD2 LEU A 33 -8.378 9.420 -7.401 1.00 0.00 C ATOM 0 H LEU A 33 -5.658 5.133 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.995 6.753 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.397 8.311 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.754 7.721 -8.110 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.827 8.438 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.161 10.793 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.800 9.681 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.926 10.562 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.011 10.154 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.898 9.882 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.988 8.580 -7.732 1.00 0.00 H new ATOM 510 N PHE A 34 -8.397 6.106 -5.291 1.00 0.00 N ATOM 511 CA PHE A 34 -9.688 5.468 -5.093 1.00 0.00 C ATOM 512 C PHE A 34 -10.829 6.471 -5.277 1.00 0.00 C ATOM 513 O PHE A 34 -10.731 7.616 -4.837 1.00 0.00 O ATOM 514 CB PHE A 34 -9.712 4.943 -3.657 1.00 0.00 C ATOM 515 CG PHE A 34 -8.814 3.727 -3.424 1.00 0.00 C ATOM 516 CD1 PHE A 34 -9.062 2.562 -4.081 1.00 0.00 C ATOM 517 CD2 PHE A 34 -7.767 3.809 -2.559 1.00 0.00 C ATOM 518 CE1 PHE A 34 -8.228 1.433 -3.865 1.00 0.00 C ATOM 519 CE2 PHE A 34 -6.934 2.680 -2.343 1.00 0.00 C ATOM 520 CZ PHE A 34 -7.182 1.516 -3.000 1.00 0.00 C ATOM 0 H PHE A 34 -8.156 6.806 -4.590 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.823 4.668 -5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.405 5.743 -2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.737 4.681 -3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.893 2.496 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.570 4.733 -2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.424 0.509 -4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.103 2.746 -1.656 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.548 0.657 -2.835 1.00 0.00 H new ATOM 530 N THR A 35 -11.885 6.005 -5.926 1.00 0.00 N ATOM 531 CA THR A 35 -13.043 6.846 -6.173 1.00 0.00 C ATOM 532 C THR A 35 -14.271 6.289 -5.450 1.00 0.00 C ATOM 533 O THR A 35 -14.163 5.338 -4.678 1.00 0.00 O ATOM 534 CB THR A 35 -13.230 6.962 -7.687 1.00 0.00 C ATOM 535 OG1 THR A 35 -12.826 5.689 -8.185 1.00 0.00 O ATOM 536 CG2 THR A 35 -12.244 7.942 -8.326 1.00 0.00 C ATOM 0 H THR A 35 -11.963 5.055 -6.289 1.00 0.00 H new ATOM 0 HA THR A 35 -12.896 7.849 -5.772 1.00 0.00 H new ATOM 0 HB THR A 35 -14.250 7.281 -7.903 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.917 5.676 -9.161 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.420 7.986 -9.401 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.384 8.933 -7.894 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.224 7.606 -8.139 1.00 0.00 H new ATOM 544 N GLU A 36 -15.411 6.905 -5.726 1.00 0.00 N ATOM 545 CA GLU A 36 -16.658 6.483 -5.112 1.00 0.00 C ATOM 546 C GLU A 36 -16.954 5.023 -5.461 1.00 0.00 C ATOM 547 O GLU A 36 -16.771 4.605 -6.604 1.00 0.00 O ATOM 548 CB GLU A 36 -17.813 7.393 -5.533 1.00 0.00 C ATOM 549 CG GLU A 36 -18.393 6.955 -6.880 1.00 0.00 C ATOM 550 CD GLU A 36 -19.403 7.979 -7.401 1.00 0.00 C ATOM 551 OE1 GLU A 36 -20.236 8.424 -6.581 1.00 0.00 O ATOM 552 OE2 GLU A 36 -19.319 8.295 -8.608 1.00 0.00 O ATOM 0 H GLU A 36 -15.497 7.694 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.553 6.563 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.594 7.371 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.463 8.423 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.588 6.832 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.876 5.984 -6.773 1.00 0.00 H new ATOM 559 N LYS A 37 -17.408 4.287 -4.457 1.00 0.00 N ATOM 560 CA LYS A 37 -17.731 2.883 -4.644 1.00 0.00 C ATOM 561 C LYS A 37 -16.440 2.091 -4.858 1.00 0.00 C ATOM 562 O LYS A 37 -16.392 1.188 -5.691 1.00 0.00 O ATOM 563 CB LYS A 37 -18.750 2.714 -5.774 1.00 0.00 C ATOM 564 CG LYS A 37 -20.019 3.521 -5.492 1.00 0.00 C ATOM 565 CD LYS A 37 -21.215 2.945 -6.254 1.00 0.00 C ATOM 566 CE LYS A 37 -21.132 3.285 -7.743 1.00 0.00 C ATOM 567 NZ LYS A 37 -20.477 2.187 -8.489 1.00 0.00 N ATOM 0 H LYS A 37 -17.560 4.637 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.209 2.480 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.310 3.039 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -19.003 1.660 -5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.228 3.515 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.865 4.561 -5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.246 1.863 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -22.141 3.342 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -22.133 3.456 -8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.573 4.210 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.745 2.580 -9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.039 1.524 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -21.186 1.684 -9.060 1.00 0.00 H new ATOM 581 N SER A 38 -15.425 2.458 -4.090 1.00 0.00 N ATOM 582 CA SER A 38 -14.136 1.793 -4.184 1.00 0.00 C ATOM 583 C SER A 38 -13.841 1.038 -2.886 1.00 0.00 C ATOM 584 O SER A 38 -13.897 1.616 -1.802 1.00 0.00 O ATOM 585 CB SER A 38 -13.019 2.795 -4.481 1.00 0.00 C ATOM 586 OG SER A 38 -13.120 3.332 -5.797 1.00 0.00 O ATOM 0 H SER A 38 -15.469 3.208 -3.400 1.00 0.00 H new ATOM 0 HA SER A 38 -14.178 1.082 -5.009 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.057 3.607 -3.754 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.052 2.306 -4.362 1.00 0.00 H new ATOM 0 HG SER A 38 -13.839 3.997 -5.825 1.00 0.00 H new ATOM 592 N TYR A 39 -13.533 -0.241 -3.040 1.00 0.00 N ATOM 593 CA TYR A 39 -13.228 -1.081 -1.894 1.00 0.00 C ATOM 594 C TYR A 39 -11.720 -1.300 -1.760 1.00 0.00 C ATOM 595 O TYR A 39 -11.084 -1.834 -2.667 1.00 0.00 O ATOM 596 CB TYR A 39 -13.905 -2.426 -2.165 1.00 0.00 C ATOM 597 CG TYR A 39 -15.396 -2.454 -1.820 1.00 0.00 C ATOM 598 CD1 TYR A 39 -15.812 -2.161 -0.537 1.00 0.00 C ATOM 599 CD2 TYR A 39 -16.323 -2.771 -2.791 1.00 0.00 C ATOM 600 CE1 TYR A 39 -17.215 -2.187 -0.212 1.00 0.00 C ATOM 601 CE2 TYR A 39 -17.726 -2.797 -2.467 1.00 0.00 C ATOM 602 CZ TYR A 39 -18.102 -2.504 -1.193 1.00 0.00 C ATOM 603 OH TYR A 39 -19.427 -2.529 -0.887 1.00 0.00 O ATOM 0 H TYR A 39 -13.488 -0.717 -3.941 1.00 0.00 H new ATOM 0 HA TYR A 39 -13.578 -0.615 -0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -13.782 -2.677 -3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.395 -3.200 -1.591 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -15.086 -1.912 0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -15.997 -3.000 -3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -17.555 -1.960 0.788 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -18.462 -3.043 -3.218 1.00 0.00 H new ATOM 0 HH TYR A 39 -19.943 -2.770 -1.685 1.00 0.00 H new ATOM 613 N LEU A 40 -11.192 -0.877 -0.621 1.00 0.00 N ATOM 614 CA LEU A 40 -9.770 -1.020 -0.356 1.00 0.00 C ATOM 615 C LEU A 40 -9.503 -2.407 0.232 1.00 0.00 C ATOM 616 O LEU A 40 -8.782 -3.208 -0.361 1.00 0.00 O ATOM 617 CB LEU A 40 -9.271 0.128 0.523 1.00 0.00 C ATOM 618 CG LEU A 40 -9.107 1.482 -0.171 1.00 0.00 C ATOM 619 CD1 LEU A 40 -10.459 2.027 -0.635 1.00 0.00 C ATOM 620 CD2 LEU A 40 -8.368 2.474 0.729 1.00 0.00 C ATOM 0 H LEU A 40 -11.723 -0.435 0.129 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.200 -0.951 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.965 0.250 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.309 -0.158 0.949 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.495 1.337 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.314 2.990 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.912 1.327 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.115 2.153 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.265 3.428 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.932 2.620 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.379 2.082 0.968 1.00 0.00 H new ATOM 632 N VAL A 41 -10.097 -2.647 1.392 1.00 0.00 N ATOM 633 CA VAL A 41 -9.932 -3.923 2.067 1.00 0.00 C ATOM 634 C VAL A 41 -11.309 -4.505 2.393 1.00 0.00 C ATOM 635 O VAL A 41 -12.281 -3.765 2.538 1.00 0.00 O ATOM 636 CB VAL A 41 -9.049 -3.749 3.304 1.00 0.00 C ATOM 637 CG1 VAL A 41 -7.685 -3.167 2.927 1.00 0.00 C ATOM 638 CG2 VAL A 41 -9.743 -2.883 4.357 1.00 0.00 C ATOM 0 H VAL A 41 -10.693 -1.979 1.881 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.424 -4.636 1.418 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.884 -4.735 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.077 -3.054 3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.183 -3.839 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.822 -2.193 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.093 -2.776 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.954 -1.899 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.677 -3.356 4.659 1.00 0.00 H new ATOM 648 N ARG A 42 -11.349 -5.825 2.498 1.00 0.00 N ATOM 649 CA ARG A 42 -12.591 -6.514 2.804 1.00 0.00 C ATOM 650 C ARG A 42 -12.407 -7.424 4.020 1.00 0.00 C ATOM 651 O ARG A 42 -11.512 -8.268 4.039 1.00 0.00 O ATOM 652 CB ARG A 42 -13.062 -7.353 1.615 1.00 0.00 C ATOM 653 CG ARG A 42 -14.160 -6.628 0.833 1.00 0.00 C ATOM 654 CD ARG A 42 -13.608 -6.031 -0.462 1.00 0.00 C ATOM 655 NE ARG A 42 -14.302 -6.621 -1.628 1.00 0.00 N ATOM 656 CZ ARG A 42 -13.857 -6.539 -2.889 1.00 0.00 C ATOM 657 NH1 ARG A 42 -12.715 -5.890 -3.155 1.00 0.00 N ATOM 658 NH2 ARG A 42 -14.553 -7.105 -3.884 1.00 0.00 N ATOM 0 H ARG A 42 -10.541 -6.436 2.377 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.345 -5.758 3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.219 -7.562 0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.436 -8.314 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.967 -7.324 0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.588 -5.837 1.449 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.741 -4.949 -0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.537 -6.221 -0.532 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.175 -7.122 -1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.185 -5.459 -2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.376 -5.827 -4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.422 -7.599 -3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.214 -7.042 -4.844 1.00 0.00 H new ATOM 672 N GLU A 43 -13.268 -7.222 5.006 1.00 0.00 N ATOM 673 CA GLU A 43 -13.212 -8.014 6.223 1.00 0.00 C ATOM 674 C GLU A 43 -13.527 -9.479 5.918 1.00 0.00 C ATOM 675 O GLU A 43 -14.538 -9.783 5.287 1.00 0.00 O ATOM 676 CB GLU A 43 -14.165 -7.458 7.284 1.00 0.00 C ATOM 677 CG GLU A 43 -13.955 -8.155 8.629 1.00 0.00 C ATOM 678 CD GLU A 43 -14.667 -7.401 9.754 1.00 0.00 C ATOM 679 OE1 GLU A 43 -15.761 -6.865 9.475 1.00 0.00 O ATOM 680 OE2 GLU A 43 -14.101 -7.378 10.869 1.00 0.00 O ATOM 0 H GLU A 43 -14.009 -6.521 4.987 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.200 -7.956 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.004 -6.386 7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.196 -7.592 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.331 -9.177 8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.889 -8.219 8.847 1.00 0.00 H new ATOM 687 N GLY A 44 -12.641 -10.350 6.380 1.00 0.00 N ATOM 688 CA GLY A 44 -12.812 -11.777 6.164 1.00 0.00 C ATOM 689 C GLY A 44 -11.969 -12.257 4.981 1.00 0.00 C ATOM 690 O GLY A 44 -11.388 -13.340 5.027 1.00 0.00 O ATOM 0 H GLY A 44 -11.803 -10.095 6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.526 -12.322 7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.863 -11.997 5.979 1.00 0.00 H new ATOM 694 N ASP A 45 -11.930 -11.427 3.948 1.00 0.00 N ATOM 695 CA ASP A 45 -11.168 -11.753 2.755 1.00 0.00 C ATOM 696 C ASP A 45 -9.690 -11.442 2.997 1.00 0.00 C ATOM 697 O ASP A 45 -9.354 -10.661 3.886 1.00 0.00 O ATOM 698 CB ASP A 45 -11.636 -10.923 1.558 1.00 0.00 C ATOM 699 CG ASP A 45 -13.146 -10.686 1.486 1.00 0.00 C ATOM 700 OD1 ASP A 45 -13.733 -10.438 2.561 1.00 0.00 O ATOM 701 OD2 ASP A 45 -13.678 -10.760 0.358 1.00 0.00 O ATOM 0 H ASP A 45 -12.414 -10.530 3.913 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.316 -12.811 2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.133 -9.957 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.318 -11.422 0.643 1.00 0.00 H new ATOM 706 N PRO A 46 -8.823 -12.085 2.170 1.00 0.00 N ATOM 707 CA PRO A 46 -7.389 -11.884 2.286 1.00 0.00 C ATOM 708 C PRO A 46 -6.977 -10.525 1.717 1.00 0.00 C ATOM 709 O PRO A 46 -7.754 -9.883 1.011 1.00 0.00 O ATOM 710 CB PRO A 46 -6.766 -13.053 1.540 1.00 0.00 C ATOM 711 CG PRO A 46 -7.862 -13.607 0.644 1.00 0.00 C ATOM 712 CD PRO A 46 -9.184 -13.017 1.106 1.00 0.00 C ATOM 0 HA PRO A 46 -7.050 -11.863 3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.908 -12.728 0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.408 -13.813 2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.671 -13.348 -0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.889 -14.695 0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.697 -12.507 0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.858 -13.792 1.471 1.00 0.00 H new ATOM 720 N VAL A 47 -5.757 -10.127 2.044 1.00 0.00 N ATOM 721 CA VAL A 47 -5.233 -8.856 1.574 1.00 0.00 C ATOM 722 C VAL A 47 -4.033 -9.110 0.659 1.00 0.00 C ATOM 723 O VAL A 47 -3.081 -9.782 1.051 1.00 0.00 O ATOM 724 CB VAL A 47 -4.897 -7.956 2.765 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.469 -6.563 2.297 1.00 0.00 C ATOM 726 CG2 VAL A 47 -6.075 -7.870 3.737 1.00 0.00 C ATOM 0 H VAL A 47 -5.116 -10.662 2.629 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.984 -8.328 0.986 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.057 -8.403 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.236 -5.944 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.586 -6.647 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.280 -6.104 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.810 -7.224 4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.943 -7.458 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.313 -8.867 4.109 1.00 0.00 H new ATOM 736 N ASN A 48 -4.119 -8.559 -0.542 1.00 0.00 N ATOM 737 CA ASN A 48 -3.052 -8.718 -1.516 1.00 0.00 C ATOM 738 C ASN A 48 -2.063 -7.559 -1.376 1.00 0.00 C ATOM 739 O ASN A 48 -0.854 -7.753 -1.491 1.00 0.00 O ATOM 740 CB ASN A 48 -3.602 -8.700 -2.944 1.00 0.00 C ATOM 741 CG ASN A 48 -2.796 -9.629 -3.854 1.00 0.00 C ATOM 742 OD1 ASN A 48 -2.412 -10.725 -3.481 1.00 0.00 O ATOM 743 ND2 ASN A 48 -2.562 -9.131 -5.064 1.00 0.00 N ATOM 0 H ASN A 48 -4.911 -8.002 -0.863 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.565 -9.675 -1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.648 -9.008 -2.939 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.571 -7.684 -3.337 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.032 -9.674 -5.745 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.913 -8.206 -5.311 1.00 0.00 H new ATOM 750 N GLU A 49 -2.614 -6.379 -1.129 1.00 0.00 N ATOM 751 CA GLU A 49 -1.795 -5.189 -0.972 1.00 0.00 C ATOM 752 C GLU A 49 -2.383 -4.279 0.107 1.00 0.00 C ATOM 753 O GLU A 49 -3.596 -4.252 0.308 1.00 0.00 O ATOM 754 CB GLU A 49 -1.652 -4.443 -2.300 1.00 0.00 C ATOM 755 CG GLU A 49 -3.014 -3.979 -2.818 1.00 0.00 C ATOM 756 CD GLU A 49 -3.859 -5.168 -3.281 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.506 -5.739 -4.336 1.00 0.00 O ATOM 758 OE2 GLU A 49 -4.838 -5.480 -2.569 1.00 0.00 O ATOM 0 H GLU A 49 -3.617 -6.222 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.798 -5.497 -0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.996 -3.582 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.181 -5.093 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.541 -3.438 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.875 -3.283 -3.645 1.00 0.00 H new ATOM 765 N MET A 50 -1.496 -3.555 0.774 1.00 0.00 N ATOM 766 CA MET A 50 -1.912 -2.646 1.829 1.00 0.00 C ATOM 767 C MET A 50 -2.064 -1.221 1.294 1.00 0.00 C ATOM 768 O MET A 50 -1.288 -0.786 0.445 1.00 0.00 O ATOM 769 CB MET A 50 -0.876 -2.662 2.955 1.00 0.00 C ATOM 770 CG MET A 50 -1.474 -2.124 4.256 1.00 0.00 C ATOM 771 SD MET A 50 -0.811 -0.504 4.608 1.00 0.00 S ATOM 772 CE MET A 50 -0.242 -0.758 6.281 1.00 0.00 C ATOM 0 H MET A 50 -0.491 -3.579 0.604 1.00 0.00 H new ATOM 0 HA MET A 50 -2.879 -2.977 2.209 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.516 -3.679 3.109 1.00 0.00 H new ATOM 0 HB3 MET A 50 -0.014 -2.059 2.670 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.560 -2.072 4.173 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.250 -2.804 5.078 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.618 -0.116 6.474 1.00 0.00 H new ATOM 0 HE2 MET A 50 -1.042 -0.512 6.979 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.047 -1.801 6.413 1.00 0.00 H new ATOM 782 N LEU A 51 -3.069 -0.532 1.815 1.00 0.00 N ATOM 783 CA LEU A 51 -3.333 0.836 1.401 1.00 0.00 C ATOM 784 C LEU A 51 -3.016 1.784 2.559 1.00 0.00 C ATOM 785 O LEU A 51 -3.510 1.600 3.670 1.00 0.00 O ATOM 786 CB LEU A 51 -4.762 0.969 0.871 1.00 0.00 C ATOM 787 CG LEU A 51 -5.087 0.166 -0.390 1.00 0.00 C ATOM 788 CD1 LEU A 51 -3.837 -0.038 -1.248 1.00 0.00 C ATOM 789 CD2 LEU A 51 -5.762 -1.161 -0.037 1.00 0.00 C ATOM 0 H LEU A 51 -3.710 -0.895 2.520 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.683 1.116 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.451 0.664 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.956 2.022 0.667 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.797 0.740 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.096 -0.612 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.437 0.932 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.086 -0.580 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.982 -1.712 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.096 -1.752 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.690 -0.966 0.501 1.00 0.00 H new ATOM 801 N PHE A 52 -2.193 2.779 2.259 1.00 0.00 N ATOM 802 CA PHE A 52 -1.804 3.757 3.261 1.00 0.00 C ATOM 803 C PHE A 52 -2.533 5.084 3.043 1.00 0.00 C ATOM 804 O PHE A 52 -2.163 5.864 2.168 1.00 0.00 O ATOM 805 CB PHE A 52 -0.299 3.984 3.104 1.00 0.00 C ATOM 806 CG PHE A 52 0.553 2.756 3.434 1.00 0.00 C ATOM 807 CD1 PHE A 52 0.574 1.694 2.584 1.00 0.00 C ATOM 808 CD2 PHE A 52 1.290 2.728 4.577 1.00 0.00 C ATOM 809 CE1 PHE A 52 1.364 0.555 2.891 1.00 0.00 C ATOM 810 CE2 PHE A 52 2.081 1.589 4.883 1.00 0.00 C ATOM 811 CZ PHE A 52 2.101 0.527 4.034 1.00 0.00 C ATOM 0 H PHE A 52 -1.785 2.929 1.336 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.059 3.392 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.093 4.291 2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.003 4.808 3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.010 1.717 1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.274 3.571 5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.380 -0.289 2.217 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.667 1.566 5.790 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.702 -0.339 4.267 1.00 0.00 H new ATOM 821 N ILE A 53 -3.558 5.300 3.856 1.00 0.00 N ATOM 822 CA ILE A 53 -4.342 6.519 3.763 1.00 0.00 C ATOM 823 C ILE A 53 -3.416 7.728 3.906 1.00 0.00 C ATOM 824 O ILE A 53 -2.789 7.915 4.947 1.00 0.00 O ATOM 825 CB ILE A 53 -5.487 6.498 4.779 1.00 0.00 C ATOM 826 CG1 ILE A 53 -6.554 5.477 4.381 1.00 0.00 C ATOM 827 CG2 ILE A 53 -6.075 7.897 4.971 1.00 0.00 C ATOM 828 CD1 ILE A 53 -7.041 5.722 2.951 1.00 0.00 C ATOM 0 H ILE A 53 -3.863 4.651 4.582 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.816 6.594 2.784 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.084 6.184 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.147 4.469 4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.396 5.537 5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.886 7.854 5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.299 8.571 5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.459 8.264 4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.799 4.982 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.470 6.722 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.201 5.637 2.261 1.00 0.00 H new ATOM 840 N ILE A 54 -3.359 8.518 2.844 1.00 0.00 N ATOM 841 CA ILE A 54 -2.520 9.704 2.837 1.00 0.00 C ATOM 842 C ILE A 54 -3.350 10.914 3.272 1.00 0.00 C ATOM 843 O ILE A 54 -2.986 11.614 4.215 1.00 0.00 O ATOM 844 CB ILE A 54 -1.848 9.878 1.473 1.00 0.00 C ATOM 845 CG1 ILE A 54 -1.017 8.645 1.111 1.00 0.00 C ATOM 846 CG2 ILE A 54 -1.017 11.162 1.431 1.00 0.00 C ATOM 847 CD1 ILE A 54 0.217 8.532 2.008 1.00 0.00 C ATOM 0 H ILE A 54 -3.881 8.360 1.982 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.707 9.599 3.556 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.628 9.975 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.628 7.748 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.708 8.704 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.550 11.261 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.664 12.020 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.244 11.120 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.790 7.647 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.838 9.419 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.096 8.449 3.049 1.00 0.00 H new ATOM 859 N ARG A 55 -4.450 11.122 2.563 1.00 0.00 N ATOM 860 CA ARG A 55 -5.335 12.234 2.864 1.00 0.00 C ATOM 861 C ARG A 55 -6.719 11.989 2.260 1.00 0.00 C ATOM 862 O ARG A 55 -6.838 11.685 1.074 1.00 0.00 O ATOM 863 CB ARG A 55 -4.773 13.548 2.317 1.00 0.00 C ATOM 864 CG ARG A 55 -4.823 14.649 3.378 1.00 0.00 C ATOM 865 CD ARG A 55 -3.417 15.137 3.730 1.00 0.00 C ATOM 866 NE ARG A 55 -3.484 16.490 4.327 1.00 0.00 N ATOM 867 CZ ARG A 55 -2.425 17.294 4.488 1.00 0.00 C ATOM 868 NH1 ARG A 55 -1.209 16.887 4.097 1.00 0.00 N ATOM 869 NH2 ARG A 55 -2.581 18.505 5.039 1.00 0.00 N ATOM 0 H ARG A 55 -4.748 10.539 1.781 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.416 12.310 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.744 13.399 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.344 13.856 1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.420 15.484 3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.316 14.273 4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.948 14.445 4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.795 15.156 2.835 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.394 16.832 4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.090 15.965 3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.402 17.499 4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.506 18.815 5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.774 19.117 5.162 1.00 0.00 H new ATOM 883 N GLY A 56 -7.731 12.132 3.104 1.00 0.00 N ATOM 884 CA GLY A 56 -9.102 11.930 2.668 1.00 0.00 C ATOM 885 C GLY A 56 -9.929 11.245 3.758 1.00 0.00 C ATOM 886 O GLY A 56 -9.446 11.039 4.871 1.00 0.00 O ATOM 0 H GLY A 56 -7.629 12.385 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.552 12.890 2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.114 11.323 1.762 1.00 0.00 H new ATOM 890 N ARG A 57 -11.159 10.909 3.400 1.00 0.00 N ATOM 891 CA ARG A 57 -12.057 10.251 4.334 1.00 0.00 C ATOM 892 C ARG A 57 -12.522 8.908 3.767 1.00 0.00 C ATOM 893 O ARG A 57 -12.426 8.672 2.564 1.00 0.00 O ATOM 894 CB ARG A 57 -13.280 11.123 4.630 1.00 0.00 C ATOM 895 CG ARG A 57 -13.842 10.824 6.021 1.00 0.00 C ATOM 896 CD ARG A 57 -13.757 12.056 6.924 1.00 0.00 C ATOM 897 NE ARG A 57 -15.118 12.531 7.261 1.00 0.00 N ATOM 898 CZ ARG A 57 -15.848 13.336 6.478 1.00 0.00 C ATOM 899 NH1 ARG A 57 -15.354 13.761 5.307 1.00 0.00 N ATOM 900 NH2 ARG A 57 -17.073 13.717 6.865 1.00 0.00 N ATOM 0 H ARG A 57 -11.555 11.080 2.476 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.509 10.087 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.005 12.176 4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.048 10.946 3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.880 10.502 5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.288 10.000 6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.212 11.812 7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.200 12.847 6.422 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.525 12.226 8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.422 13.471 5.012 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.910 14.374 4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.450 13.394 7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.629 14.330 6.268 1.00 0.00 H new ATOM 914 N LEU A 58 -13.015 8.064 4.661 1.00 0.00 N ATOM 915 CA LEU A 58 -13.495 6.751 4.264 1.00 0.00 C ATOM 916 C LEU A 58 -14.553 6.276 5.262 1.00 0.00 C ATOM 917 O LEU A 58 -14.762 6.907 6.297 1.00 0.00 O ATOM 918 CB LEU A 58 -12.324 5.779 4.102 1.00 0.00 C ATOM 919 CG LEU A 58 -11.503 5.927 2.819 1.00 0.00 C ATOM 920 CD1 LEU A 58 -10.222 6.723 3.076 1.00 0.00 C ATOM 921 CD2 LEU A 58 -11.214 4.561 2.193 1.00 0.00 C ATOM 0 H LEU A 58 -13.093 8.263 5.658 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.976 6.801 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.655 5.901 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.713 4.762 4.146 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.094 6.493 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.657 6.813 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.479 7.717 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.616 6.207 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.629 4.694 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.652 3.949 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.154 4.065 1.951 1.00 0.00 H new ATOM 933 N GLU A 59 -15.193 5.169 4.916 1.00 0.00 N ATOM 934 CA GLU A 59 -16.225 4.603 5.768 1.00 0.00 C ATOM 935 C GLU A 59 -15.811 3.211 6.249 1.00 0.00 C ATOM 936 O GLU A 59 -15.601 2.308 5.441 1.00 0.00 O ATOM 937 CB GLU A 59 -17.570 4.555 5.042 1.00 0.00 C ATOM 938 CG GLU A 59 -17.750 3.225 4.308 1.00 0.00 C ATOM 939 CD GLU A 59 -19.063 3.205 3.522 1.00 0.00 C ATOM 940 OE1 GLU A 59 -20.107 3.474 4.154 1.00 0.00 O ATOM 941 OE2 GLU A 59 -18.992 2.922 2.306 1.00 0.00 O ATOM 0 H GLU A 59 -15.017 4.648 4.057 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.343 5.247 6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -18.379 4.691 5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.633 5.378 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.913 3.064 3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.739 2.405 5.026 1.00 0.00 H new ATOM 948 N SER A 60 -15.706 3.080 7.563 1.00 0.00 N ATOM 949 CA SER A 60 -15.321 1.813 8.162 1.00 0.00 C ATOM 950 C SER A 60 -16.565 1.063 8.643 1.00 0.00 C ATOM 951 O SER A 60 -17.409 1.631 9.333 1.00 0.00 O ATOM 952 CB SER A 60 -14.347 2.025 9.322 1.00 0.00 C ATOM 953 OG SER A 60 -14.329 0.914 10.213 1.00 0.00 O ATOM 0 H SER A 60 -15.881 3.831 8.231 1.00 0.00 H new ATOM 0 HA SER A 60 -14.815 1.216 7.404 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.344 2.190 8.928 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.626 2.925 9.870 1.00 0.00 H new ATOM 0 HG SER A 60 -13.694 1.087 10.939 1.00 0.00 H new ATOM 959 N VAL A 61 -16.638 -0.203 8.259 1.00 0.00 N ATOM 960 CA VAL A 61 -17.764 -1.038 8.643 1.00 0.00 C ATOM 961 C VAL A 61 -17.275 -2.467 8.887 1.00 0.00 C ATOM 962 O VAL A 61 -16.268 -2.887 8.320 1.00 0.00 O ATOM 963 CB VAL A 61 -18.862 -0.955 7.580 1.00 0.00 C ATOM 964 CG1 VAL A 61 -19.693 -2.240 7.550 1.00 0.00 C ATOM 965 CG2 VAL A 61 -19.753 0.268 7.806 1.00 0.00 C ATOM 0 H VAL A 61 -15.936 -0.671 7.686 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.203 -0.682 9.575 1.00 0.00 H new ATOM 0 HB VAL A 61 -18.380 -0.844 6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.466 -2.155 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.046 -3.086 7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.159 -2.395 8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -20.525 0.303 7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.222 0.200 8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -19.148 1.173 7.755 1.00 0.00 H new ATOM 1126 N ARG A 73 -20.670 0.548 12.334 1.00 0.00 N ATOM 1127 CA ARG A 73 -20.011 1.472 11.426 1.00 0.00 C ATOM 1128 C ARG A 73 -19.043 2.373 12.196 1.00 0.00 C ATOM 1129 O ARG A 73 -19.263 2.666 13.370 1.00 0.00 O ATOM 1130 CB ARG A 73 -21.032 2.344 10.691 1.00 0.00 C ATOM 1131 CG ARG A 73 -20.334 3.430 9.870 1.00 0.00 C ATOM 1132 CD ARG A 73 -21.350 4.256 9.078 1.00 0.00 C ATOM 1133 NE ARG A 73 -21.119 5.699 9.307 1.00 0.00 N ATOM 1134 CZ ARG A 73 -21.994 6.661 8.983 1.00 0.00 C ATOM 1135 NH1 ARG A 73 -23.163 6.339 8.414 1.00 0.00 N ATOM 1136 NH2 ARG A 73 -21.699 7.945 9.228 1.00 0.00 N ATOM 0 HA ARG A 73 -19.460 0.881 10.694 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -21.642 1.722 10.035 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -21.708 2.805 11.411 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.766 4.083 10.532 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.620 2.971 9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -21.265 4.030 8.015 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -22.363 3.989 9.380 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.238 5.979 9.739 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -23.387 5.362 8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -23.829 7.071 8.167 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.809 8.190 9.661 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -22.365 8.677 8.981 1.00 0.00 H new ATOM 1150 N SER A 74 -17.992 2.786 11.504 1.00 0.00 N ATOM 1151 CA SER A 74 -16.989 3.647 12.108 1.00 0.00 C ATOM 1152 C SER A 74 -16.430 4.613 11.061 1.00 0.00 C ATOM 1153 O SER A 74 -16.736 4.495 9.876 1.00 0.00 O ATOM 1154 CB SER A 74 -15.859 2.824 12.729 1.00 0.00 C ATOM 1155 OG SER A 74 -16.349 1.846 13.642 1.00 0.00 O ATOM 0 H SER A 74 -17.813 2.540 10.530 1.00 0.00 H new ATOM 0 HA SER A 74 -17.464 4.220 12.904 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.294 2.331 11.939 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.169 3.490 13.247 1.00 0.00 H new ATOM 0 HG SER A 74 -15.597 1.341 14.015 1.00 0.00 H new ATOM 1161 N LEU A 75 -15.619 5.547 11.537 1.00 0.00 N ATOM 1162 CA LEU A 75 -15.014 6.532 10.658 1.00 0.00 C ATOM 1163 C LEU A 75 -13.507 6.580 10.913 1.00 0.00 C ATOM 1164 O LEU A 75 -13.041 6.188 11.982 1.00 0.00 O ATOM 1165 CB LEU A 75 -15.707 7.887 10.814 1.00 0.00 C ATOM 1166 CG LEU A 75 -15.225 8.999 9.881 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -15.848 8.858 8.491 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -15.487 10.378 10.489 1.00 0.00 C ATOM 0 H LEU A 75 -15.367 5.642 12.521 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.152 6.247 9.615 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.776 7.746 10.656 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.578 8.222 11.843 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.146 8.900 9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.488 9.661 7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.567 7.896 8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.933 8.916 8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.135 11.150 9.805 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.556 10.504 10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.957 10.464 11.437 1.00 0.00 H new ATOM 1180 N LEU A 76 -12.784 7.062 9.912 1.00 0.00 N ATOM 1181 CA LEU A 76 -11.339 7.166 10.014 1.00 0.00 C ATOM 1182 C LEU A 76 -10.896 8.550 9.535 1.00 0.00 C ATOM 1183 O LEU A 76 -11.624 9.220 8.804 1.00 0.00 O ATOM 1184 CB LEU A 76 -10.665 6.012 9.269 1.00 0.00 C ATOM 1185 CG LEU A 76 -11.337 4.644 9.402 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -10.927 3.718 8.256 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -11.050 4.023 10.771 1.00 0.00 C ATOM 0 H LEU A 76 -13.173 7.385 9.026 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.023 7.072 11.053 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.615 6.269 8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.638 5.926 9.625 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.416 4.785 9.332 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.419 2.752 8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.224 4.162 7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.846 3.579 8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.539 3.051 10.840 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.974 3.897 10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.432 4.677 11.555 1.00 0.00 H new ATOM 1199 N LYS A 77 -9.704 8.937 9.966 1.00 0.00 N ATOM 1200 CA LYS A 77 -9.155 10.229 9.590 1.00 0.00 C ATOM 1201 C LYS A 77 -7.700 10.052 9.152 1.00 0.00 C ATOM 1202 O LYS A 77 -7.179 8.938 9.153 1.00 0.00 O ATOM 1203 CB LYS A 77 -9.339 11.239 10.724 1.00 0.00 C ATOM 1204 CG LYS A 77 -8.280 11.041 11.811 1.00 0.00 C ATOM 1205 CD LYS A 77 -8.324 12.179 12.832 1.00 0.00 C ATOM 1206 CE LYS A 77 -6.951 12.395 13.472 1.00 0.00 C ATOM 1207 NZ LYS A 77 -7.003 13.505 14.449 1.00 0.00 N ATOM 0 H LYS A 77 -9.103 8.378 10.572 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.696 10.640 8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.274 12.252 10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.334 11.129 11.156 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.445 10.089 12.315 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.291 10.994 11.356 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.650 13.098 12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.058 11.951 13.605 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.627 11.480 13.969 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.214 12.617 12.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.063 13.638 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.291 14.380 13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.691 13.279 15.195 1.00 0.00 H new ATOM 1221 N GLU A 78 -7.085 11.168 8.789 1.00 0.00 N ATOM 1222 CA GLU A 78 -5.700 11.150 8.350 1.00 0.00 C ATOM 1223 C GLU A 78 -4.805 10.559 9.441 1.00 0.00 C ATOM 1224 O GLU A 78 -4.807 11.035 10.576 1.00 0.00 O ATOM 1225 CB GLU A 78 -5.232 12.553 7.956 1.00 0.00 C ATOM 1226 CG GLU A 78 -5.415 13.537 9.113 1.00 0.00 C ATOM 1227 CD GLU A 78 -4.849 14.913 8.758 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -3.632 15.098 8.971 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -5.647 15.749 8.281 1.00 0.00 O ATOM 0 H GLU A 78 -7.520 12.090 8.790 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.627 10.517 7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.182 12.521 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.795 12.898 7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.474 13.627 9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.917 13.154 10.003 1.00 0.00 H new ATOM 1236 N GLY A 79 -4.062 9.531 9.060 1.00 0.00 N ATOM 1237 CA GLY A 79 -3.164 8.871 9.992 1.00 0.00 C ATOM 1238 C GLY A 79 -3.497 7.382 10.112 1.00 0.00 C ATOM 1239 O GLY A 79 -2.598 6.543 10.154 1.00 0.00 O ATOM 0 H GLY A 79 -4.063 9.139 8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.134 8.991 9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.238 9.344 10.971 1.00 0.00 H new ATOM 1243 N ASP A 80 -4.790 7.100 10.164 1.00 0.00 N ATOM 1244 CA ASP A 80 -5.253 5.728 10.279 1.00 0.00 C ATOM 1245 C ASP A 80 -4.959 4.984 8.975 1.00 0.00 C ATOM 1246 O ASP A 80 -5.007 5.573 7.896 1.00 0.00 O ATOM 1247 CB ASP A 80 -6.762 5.674 10.524 1.00 0.00 C ATOM 1248 CG ASP A 80 -7.191 4.846 11.737 1.00 0.00 C ATOM 1249 OD1 ASP A 80 -6.823 3.651 11.768 1.00 0.00 O ATOM 1250 OD2 ASP A 80 -7.877 5.426 12.606 1.00 0.00 O ATOM 0 H ASP A 80 -5.532 7.799 10.129 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.735 5.267 11.120 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.131 6.692 10.649 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.245 5.267 9.636 1.00 0.00 H new ATOM 1255 N PHE A 81 -4.661 3.701 9.116 1.00 0.00 N ATOM 1256 CA PHE A 81 -4.359 2.871 7.963 1.00 0.00 C ATOM 1257 C PHE A 81 -5.352 1.712 7.846 1.00 0.00 C ATOM 1258 O PHE A 81 -6.222 1.547 8.700 1.00 0.00 O ATOM 1259 CB PHE A 81 -2.954 2.304 8.175 1.00 0.00 C ATOM 1260 CG PHE A 81 -2.559 2.153 9.645 1.00 0.00 C ATOM 1261 CD1 PHE A 81 -2.992 1.079 10.359 1.00 0.00 C ATOM 1262 CD2 PHE A 81 -1.776 3.093 10.239 1.00 0.00 C ATOM 1263 CE1 PHE A 81 -2.625 0.939 11.723 1.00 0.00 C ATOM 1264 CE2 PHE A 81 -1.409 2.953 11.603 1.00 0.00 C ATOM 1265 CZ PHE A 81 -1.842 1.879 12.317 1.00 0.00 C ATOM 0 H PHE A 81 -4.622 3.216 10.012 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.425 3.464 7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.890 1.330 7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.232 2.954 7.681 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.615 0.333 9.888 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.433 3.946 9.673 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.968 0.086 12.289 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.786 3.699 12.074 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.564 1.773 13.355 1.00 0.00 H new ATOM 1275 N CYS A 82 -5.188 0.939 6.783 1.00 0.00 N ATOM 1276 CA CYS A 82 -6.058 -0.200 6.544 1.00 0.00 C ATOM 1277 C CYS A 82 -5.184 -1.415 6.229 1.00 0.00 C ATOM 1278 O CYS A 82 -4.021 -1.268 5.856 1.00 0.00 O ATOM 1279 CB CYS A 82 -7.066 0.083 5.427 1.00 0.00 C ATOM 1280 SG CYS A 82 -7.982 1.626 5.787 1.00 0.00 S ATOM 0 H CYS A 82 -4.465 1.079 6.077 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.650 -0.402 7.436 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.548 0.172 4.472 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.763 -0.750 5.335 1.00 0.00 H new ATOM 0 HG CYS A 82 -8.833 1.858 4.832 1.00 0.00 H new ATOM 1286 N GLY A 83 -5.777 -2.589 6.392 1.00 0.00 N ATOM 1287 CA GLY A 83 -5.067 -3.829 6.130 1.00 0.00 C ATOM 1288 C GLY A 83 -3.654 -3.785 6.714 1.00 0.00 C ATOM 1289 O GLY A 83 -2.749 -4.451 6.211 1.00 0.00 O ATOM 0 H GLY A 83 -6.741 -2.707 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.617 -4.665 6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.015 -4.002 5.055 1.00 0.00 H new ATOM 1293 N ASP A 84 -3.507 -2.995 7.767 1.00 0.00 N ATOM 1294 CA ASP A 84 -2.219 -2.856 8.425 1.00 0.00 C ATOM 1295 C ASP A 84 -1.654 -4.244 8.729 1.00 0.00 C ATOM 1296 O ASP A 84 -0.447 -4.462 8.634 1.00 0.00 O ATOM 1297 CB ASP A 84 -2.356 -2.100 9.749 1.00 0.00 C ATOM 1298 CG ASP A 84 -3.703 -2.269 10.453 1.00 0.00 C ATOM 1299 OD1 ASP A 84 -4.702 -1.767 9.895 1.00 0.00 O ATOM 1300 OD2 ASP A 84 -3.703 -2.897 11.535 1.00 0.00 O ATOM 0 H ASP A 84 -4.259 -2.444 8.181 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.558 -2.301 7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.566 -2.432 10.423 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.191 -1.039 9.563 1.00 0.00 H new ATOM 1305 N GLU A 85 -2.553 -5.148 9.089 1.00 0.00 N ATOM 1306 CA GLU A 85 -2.159 -6.510 9.408 1.00 0.00 C ATOM 1307 C GLU A 85 -1.176 -7.037 8.361 1.00 0.00 C ATOM 1308 O GLU A 85 -0.367 -7.917 8.651 1.00 0.00 O ATOM 1309 CB GLU A 85 -3.382 -7.423 9.520 1.00 0.00 C ATOM 1310 CG GLU A 85 -3.922 -7.443 10.952 1.00 0.00 C ATOM 1311 CD GLU A 85 -3.052 -8.322 11.853 1.00 0.00 C ATOM 1312 OE1 GLU A 85 -1.819 -8.296 11.652 1.00 0.00 O ATOM 1313 OE2 GLU A 85 -3.641 -9.000 12.723 1.00 0.00 O ATOM 0 H GLU A 85 -3.553 -4.964 9.167 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.660 -6.505 10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.160 -7.079 8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.114 -8.434 9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.952 -6.428 11.348 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.946 -7.816 10.953 1.00 0.00 H new ATOM 1320 N LEU A 86 -1.278 -6.477 7.165 1.00 0.00 N ATOM 1321 CA LEU A 86 -0.408 -6.879 6.073 1.00 0.00 C ATOM 1322 C LEU A 86 1.033 -6.485 6.403 1.00 0.00 C ATOM 1323 O LEU A 86 1.958 -7.267 6.190 1.00 0.00 O ATOM 1324 CB LEU A 86 -0.913 -6.308 4.746 1.00 0.00 C ATOM 1325 CG LEU A 86 -0.136 -6.726 3.496 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -0.268 -8.230 3.247 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -0.569 -5.903 2.281 1.00 0.00 C ATOM 0 H LEU A 86 -1.950 -5.748 6.928 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.424 -7.962 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.954 -6.605 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.898 -5.220 4.812 1.00 0.00 H new ATOM 0 HG LEU A 86 0.921 -6.519 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.293 -8.501 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.127 -8.777 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.319 -8.485 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.002 -6.220 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.633 -6.056 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.382 -4.846 2.472 1.00 0.00 H new ATOM 1339 N LEU A 87 1.178 -5.273 6.917 1.00 0.00 N ATOM 1340 CA LEU A 87 2.491 -4.766 7.279 1.00 0.00 C ATOM 1341 C LEU A 87 3.165 -5.747 8.241 1.00 0.00 C ATOM 1342 O LEU A 87 4.294 -6.174 8.006 1.00 0.00 O ATOM 1343 CB LEU A 87 2.382 -3.342 7.829 1.00 0.00 C ATOM 1344 CG LEU A 87 3.493 -2.375 7.412 1.00 0.00 C ATOM 1345 CD1 LEU A 87 3.320 -1.938 5.956 1.00 0.00 C ATOM 1346 CD2 LEU A 87 3.566 -1.181 8.365 1.00 0.00 C ATOM 0 H LEU A 87 0.408 -4.627 7.092 1.00 0.00 H new ATOM 0 HA LEU A 87 3.128 -4.695 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.426 -2.924 7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.363 -3.395 8.918 1.00 0.00 H new ATOM 0 HG LEU A 87 4.446 -2.899 7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.122 -1.251 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.356 -2.813 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.359 -1.438 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.363 -0.509 8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.616 -0.647 8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.771 -1.534 9.376 1.00 0.00 H new ATOM 1358 N THR A 88 2.443 -6.074 9.303 1.00 0.00 N ATOM 1359 CA THR A 88 2.957 -6.997 10.301 1.00 0.00 C ATOM 1360 C THR A 88 3.104 -8.399 9.706 1.00 0.00 C ATOM 1361 O THR A 88 4.062 -9.108 10.008 1.00 0.00 O ATOM 1362 CB THR A 88 2.028 -6.946 11.515 1.00 0.00 C ATOM 1363 OG1 THR A 88 2.743 -6.163 12.467 1.00 0.00 O ATOM 1364 CG2 THR A 88 1.875 -8.309 12.193 1.00 0.00 C ATOM 0 H THR A 88 1.507 -5.717 9.494 1.00 0.00 H new ATOM 0 HA THR A 88 3.957 -6.711 10.627 1.00 0.00 H new ATOM 0 HB THR A 88 1.048 -6.582 11.207 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.211 -6.078 13.286 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.206 -8.217 13.048 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.460 -9.024 11.483 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.850 -8.658 12.532 1.00 0.00 H new ATOM 1372 N TRP A 89 2.139 -8.756 8.871 1.00 0.00 N ATOM 1373 CA TRP A 89 2.148 -10.061 8.231 1.00 0.00 C ATOM 1374 C TRP A 89 3.560 -10.315 7.697 1.00 0.00 C ATOM 1375 O TRP A 89 4.241 -11.235 8.149 1.00 0.00 O ATOM 1376 CB TRP A 89 1.074 -10.146 7.145 1.00 0.00 C ATOM 1377 CG TRP A 89 1.267 -11.309 6.169 1.00 0.00 C ATOM 1378 CD1 TRP A 89 0.864 -12.579 6.309 1.00 0.00 C ATOM 1379 CD2 TRP A 89 1.932 -11.256 4.889 1.00 0.00 C ATOM 1380 NE1 TRP A 89 1.219 -13.346 5.218 1.00 0.00 N ATOM 1381 CE2 TRP A 89 1.889 -12.515 4.327 1.00 0.00 C ATOM 1382 CE3 TRP A 89 2.550 -10.179 4.228 1.00 0.00 C ATOM 1383 CZ2 TRP A 89 2.446 -12.817 3.078 1.00 0.00 C ATOM 1384 CZ3 TRP A 89 3.101 -10.497 2.981 1.00 0.00 C ATOM 1385 CH2 TRP A 89 3.067 -11.760 2.402 1.00 0.00 C ATOM 0 H TRP A 89 1.346 -8.165 8.623 1.00 0.00 H new ATOM 0 HA TRP A 89 1.900 -10.844 8.947 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.098 -10.242 7.620 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.065 -9.212 6.584 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.328 -12.955 7.168 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.026 -14.339 5.089 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.596 -9.186 4.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.399 -13.811 2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.587 -9.705 2.430 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.518 -11.925 1.435 1.00 0.00 H new ATOM 1396 N ALA A 90 3.957 -9.485 6.745 1.00 0.00 N ATOM 1397 CA ALA A 90 5.274 -9.609 6.145 1.00 0.00 C ATOM 1398 C ALA A 90 6.330 -9.663 7.251 1.00 0.00 C ATOM 1399 O ALA A 90 7.142 -10.585 7.295 1.00 0.00 O ATOM 1400 CB ALA A 90 5.505 -8.449 5.175 1.00 0.00 C ATOM 0 H ALA A 90 3.389 -8.723 6.374 1.00 0.00 H new ATOM 0 HA ALA A 90 5.349 -10.533 5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.493 -8.542 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.746 -8.472 4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.440 -7.505 5.715 1.00 0.00 H new ATOM 1406 N LEU A 91 6.284 -8.662 8.118 1.00 0.00 N ATOM 1407 CA LEU A 91 7.227 -8.584 9.221 1.00 0.00 C ATOM 1408 C LEU A 91 7.217 -9.907 9.990 1.00 0.00 C ATOM 1409 O LEU A 91 8.213 -10.276 10.609 1.00 0.00 O ATOM 1410 CB LEU A 91 6.929 -7.363 10.095 1.00 0.00 C ATOM 1411 CG LEU A 91 7.830 -6.145 9.875 1.00 0.00 C ATOM 1412 CD1 LEU A 91 8.147 -5.960 8.390 1.00 0.00 C ATOM 1413 CD2 LEU A 91 7.212 -4.888 10.490 1.00 0.00 C ATOM 0 H LEU A 91 5.609 -7.898 8.079 1.00 0.00 H new ATOM 0 HA LEU A 91 8.240 -8.440 8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.896 -7.062 9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 91 7.004 -7.662 11.140 1.00 0.00 H new ATOM 0 HG LEU A 91 8.776 -6.322 10.387 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.788 -5.088 8.261 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.659 -6.846 8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.220 -5.814 7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.872 -4.037 10.320 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.244 -4.695 10.027 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.079 -5.035 11.562 1.00 0.00 H new ATOM 1425 N ASP A 92 6.080 -10.584 9.924 1.00 0.00 N ATOM 1426 CA ASP A 92 5.927 -11.858 10.606 1.00 0.00 C ATOM 1427 C ASP A 92 6.409 -12.983 9.688 1.00 0.00 C ATOM 1428 O ASP A 92 5.848 -13.196 8.614 1.00 0.00 O ATOM 1429 CB ASP A 92 4.461 -12.125 10.953 1.00 0.00 C ATOM 1430 CG ASP A 92 4.235 -13.180 12.037 1.00 0.00 C ATOM 1431 OD1 ASP A 92 4.623 -12.900 13.192 1.00 0.00 O ATOM 1432 OD2 ASP A 92 3.680 -14.244 11.686 1.00 0.00 O ATOM 0 H ASP A 92 5.256 -10.274 9.409 1.00 0.00 H new ATOM 0 HA ASP A 92 6.513 -11.822 11.524 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.004 -11.190 11.276 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.940 -12.438 10.048 1.00 0.00 H new ATOM 1437 N PRO A 93 7.470 -13.693 10.157 1.00 0.00 N ATOM 1438 CA PRO A 93 8.033 -14.792 9.390 1.00 0.00 C ATOM 1439 C PRO A 93 7.132 -16.027 9.459 1.00 0.00 C ATOM 1440 O PRO A 93 7.063 -16.803 8.507 1.00 0.00 O ATOM 1441 CB PRO A 93 9.409 -15.026 9.991 1.00 0.00 C ATOM 1442 CG PRO A 93 9.383 -14.370 11.362 1.00 0.00 C ATOM 1443 CD PRO A 93 8.159 -13.470 11.424 1.00 0.00 C ATOM 0 HA PRO A 93 8.111 -14.567 8.326 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.624 -16.092 10.072 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.188 -14.591 9.365 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.341 -15.126 12.146 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.292 -13.791 11.525 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.522 -13.725 12.271 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.442 -12.424 11.542 1.00 0.00 H new ATOM 1451 N LYS A 94 6.464 -16.170 10.594 1.00 0.00 N ATOM 1452 CA LYS A 94 5.570 -17.297 10.799 1.00 0.00 C ATOM 1453 C LYS A 94 4.544 -17.342 9.665 1.00 0.00 C ATOM 1454 O LYS A 94 4.249 -18.411 9.132 1.00 0.00 O ATOM 1455 CB LYS A 94 4.943 -17.237 12.194 1.00 0.00 C ATOM 1456 CG LYS A 94 6.021 -17.185 13.278 1.00 0.00 C ATOM 1457 CD LYS A 94 6.999 -18.353 13.135 1.00 0.00 C ATOM 1458 CE LYS A 94 7.336 -18.956 14.501 1.00 0.00 C ATOM 1459 NZ LYS A 94 8.757 -18.717 14.837 1.00 0.00 N ATOM 0 H LYS A 94 6.524 -15.524 11.381 1.00 0.00 H new ATOM 0 HA LYS A 94 6.125 -18.234 10.764 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.302 -16.359 12.271 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.308 -18.109 12.349 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.563 -16.242 13.212 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.554 -17.216 14.262 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.565 -19.119 12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.913 -18.010 12.649 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.696 -18.517 15.267 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.133 -20.027 14.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.969 -19.133 15.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.363 -19.157 14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.940 -17.694 14.866 1.00 0.00 H new ATOM 1516 N LEU A 99 -2.493 -15.377 2.722 1.00 0.00 N ATOM 1517 CA LEU A 99 -2.526 -13.947 2.978 1.00 0.00 C ATOM 1518 C LEU A 99 -3.258 -13.686 4.296 1.00 0.00 C ATOM 1519 O LEU A 99 -4.039 -14.519 4.752 1.00 0.00 O ATOM 1520 CB LEU A 99 -3.125 -13.202 1.784 1.00 0.00 C ATOM 1521 CG LEU A 99 -2.252 -13.134 0.529 1.00 0.00 C ATOM 1522 CD1 LEU A 99 -3.063 -12.661 -0.679 1.00 0.00 C ATOM 1523 CD2 LEU A 99 -1.017 -12.262 0.767 1.00 0.00 C ATOM 0 HA LEU A 99 -1.514 -13.557 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.069 -13.679 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.358 -12.184 2.096 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.898 -14.140 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.418 -12.622 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.883 -13.356 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.466 -11.668 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.414 -12.230 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.330 -11.252 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.426 -12.682 1.581 1.00 0.00 H new ATOM 1535 N PRO A 100 -2.973 -12.494 4.886 1.00 0.00 N ATOM 1536 CA PRO A 100 -3.595 -12.113 6.142 1.00 0.00 C ATOM 1537 C PRO A 100 -5.052 -11.697 5.928 1.00 0.00 C ATOM 1538 O PRO A 100 -5.596 -11.866 4.838 1.00 0.00 O ATOM 1539 CB PRO A 100 -2.730 -10.987 6.685 1.00 0.00 C ATOM 1540 CG PRO A 100 -1.931 -10.467 5.500 1.00 0.00 C ATOM 1541 CD PRO A 100 -2.053 -11.482 4.375 1.00 0.00 C ATOM 0 HA PRO A 100 -3.645 -12.937 6.853 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.344 -10.198 7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.069 -11.347 7.474 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.309 -9.496 5.181 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.886 -10.327 5.776 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.438 -11.021 3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.085 -11.916 4.127 1.00 0.00 H new ATOM 1549 N SER A 101 -5.642 -11.160 6.986 1.00 0.00 N ATOM 1550 CA SER A 101 -7.025 -10.719 6.928 1.00 0.00 C ATOM 1551 C SER A 101 -7.115 -9.231 7.272 1.00 0.00 C ATOM 1552 O SER A 101 -6.241 -8.694 7.952 1.00 0.00 O ATOM 1553 CB SER A 101 -7.905 -11.537 7.875 1.00 0.00 C ATOM 1554 OG SER A 101 -7.599 -12.927 7.821 1.00 0.00 O ATOM 0 H SER A 101 -5.187 -11.020 7.888 1.00 0.00 H new ATOM 0 HA SER A 101 -7.390 -10.873 5.913 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.773 -11.176 8.895 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.953 -11.386 7.617 1.00 0.00 H new ATOM 0 HG SER A 101 -8.181 -13.414 8.441 1.00 0.00 H new ATOM 1560 N SER A 102 -8.178 -8.606 6.787 1.00 0.00 N ATOM 1561 CA SER A 102 -8.392 -7.191 7.035 1.00 0.00 C ATOM 1562 C SER A 102 -9.031 -6.992 8.411 1.00 0.00 C ATOM 1563 O SER A 102 -9.554 -7.937 8.999 1.00 0.00 O ATOM 1564 CB SER A 102 -9.270 -6.568 5.948 1.00 0.00 C ATOM 1565 OG SER A 102 -9.715 -5.262 6.304 1.00 0.00 O ATOM 0 H SER A 102 -8.900 -9.054 6.223 1.00 0.00 H new ATOM 0 HA SER A 102 -7.424 -6.690 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.710 -6.518 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.133 -7.209 5.768 1.00 0.00 H new ATOM 0 HG SER A 102 -10.679 -5.190 6.143 1.00 0.00 H new ATOM 1571 N THR A 103 -8.965 -5.756 8.885 1.00 0.00 N ATOM 1572 CA THR A 103 -9.530 -5.421 10.181 1.00 0.00 C ATOM 1573 C THR A 103 -11.010 -5.059 10.041 1.00 0.00 C ATOM 1574 O THR A 103 -11.822 -5.406 10.897 1.00 0.00 O ATOM 1575 CB THR A 103 -8.686 -4.299 10.789 1.00 0.00 C ATOM 1576 OG1 THR A 103 -8.480 -3.394 9.708 1.00 0.00 O ATOM 1577 CG2 THR A 103 -7.276 -4.763 11.160 1.00 0.00 C ATOM 0 H THR A 103 -8.529 -4.975 8.395 1.00 0.00 H new ATOM 0 HA THR A 103 -9.499 -6.275 10.858 1.00 0.00 H new ATOM 0 HB THR A 103 -9.185 -3.909 11.676 1.00 0.00 H new ATOM 0 HG1 THR A 103 -7.942 -2.634 10.015 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.719 -3.929 11.587 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.339 -5.569 11.891 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.764 -5.122 10.267 1.00 0.00 H new ATOM 1585 N ARG A 104 -11.316 -4.366 8.954 1.00 0.00 N ATOM 1586 CA ARG A 104 -12.684 -3.953 8.690 1.00 0.00 C ATOM 1587 C ARG A 104 -12.854 -3.591 7.213 1.00 0.00 C ATOM 1588 O ARG A 104 -11.875 -3.312 6.522 1.00 0.00 O ATOM 1589 CB ARG A 104 -13.072 -2.749 9.551 1.00 0.00 C ATOM 1590 CG ARG A 104 -12.270 -1.509 9.152 1.00 0.00 C ATOM 1591 CD ARG A 104 -10.981 -1.404 9.969 1.00 0.00 C ATOM 1592 NE ARG A 104 -11.303 -1.272 11.407 1.00 0.00 N ATOM 1593 CZ ARG A 104 -10.434 -0.850 12.336 1.00 0.00 C ATOM 1594 NH1 ARG A 104 -9.185 -0.515 11.982 1.00 0.00 N ATOM 1595 NH2 ARG A 104 -10.813 -0.762 13.618 1.00 0.00 N ATOM 0 H ARG A 104 -10.640 -4.080 8.246 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.337 -4.789 8.940 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -14.138 -2.548 9.442 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.896 -2.977 10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.029 -1.554 8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.875 -0.615 9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.364 -2.288 9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.400 -0.544 9.638 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.245 -1.518 11.710 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.896 -0.581 11.006 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.523 -0.194 12.689 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.763 -1.016 13.887 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.151 -0.441 14.325 1.00 0.00 H new ATOM 1609 N THR A 105 -14.103 -3.608 6.772 1.00 0.00 N ATOM 1610 CA THR A 105 -14.414 -3.285 5.390 1.00 0.00 C ATOM 1611 C THR A 105 -14.520 -1.770 5.207 1.00 0.00 C ATOM 1612 O THR A 105 -15.508 -1.160 5.612 1.00 0.00 O ATOM 1613 CB THR A 105 -15.691 -4.034 5.005 1.00 0.00 C ATOM 1614 OG1 THR A 105 -15.315 -5.408 5.054 1.00 0.00 O ATOM 1615 CG2 THR A 105 -16.085 -3.808 3.544 1.00 0.00 C ATOM 0 H THR A 105 -14.912 -3.841 7.348 1.00 0.00 H new ATOM 0 HA THR A 105 -13.617 -3.607 4.720 1.00 0.00 H new ATOM 0 HB THR A 105 -16.507 -3.717 5.654 1.00 0.00 H new ATOM 0 HG1 THR A 105 -16.085 -5.967 4.819 1.00 0.00 H new ATOM 0 HG21 THR A 105 -16.998 -4.362 3.323 1.00 0.00 H new ATOM 0 HG22 THR A 105 -16.255 -2.745 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 105 -15.283 -4.156 2.893 1.00 0.00 H new ATOM 1623 N VAL A 106 -13.488 -1.206 4.597 1.00 0.00 N ATOM 1624 CA VAL A 106 -13.453 0.227 4.356 1.00 0.00 C ATOM 1625 C VAL A 106 -13.840 0.504 2.902 1.00 0.00 C ATOM 1626 O VAL A 106 -13.524 -0.282 2.011 1.00 0.00 O ATOM 1627 CB VAL A 106 -12.077 0.786 4.726 1.00 0.00 C ATOM 1628 CG1 VAL A 106 -11.908 2.214 4.203 1.00 0.00 C ATOM 1629 CG2 VAL A 106 -11.849 0.724 6.237 1.00 0.00 C ATOM 0 H VAL A 106 -12.670 -1.715 4.262 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.178 0.739 4.989 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.321 0.163 4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.922 2.588 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.007 2.218 3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.675 2.854 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.864 1.127 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.613 1.312 6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.907 -0.312 6.571 1.00 0.00 H new ATOM 1639 N LYS A 107 -14.519 1.625 2.708 1.00 0.00 N ATOM 1640 CA LYS A 107 -14.952 2.016 1.377 1.00 0.00 C ATOM 1641 C LYS A 107 -14.657 3.503 1.166 1.00 0.00 C ATOM 1642 O LYS A 107 -14.404 4.231 2.124 1.00 0.00 O ATOM 1643 CB LYS A 107 -16.420 1.644 1.161 1.00 0.00 C ATOM 1644 CG LYS A 107 -16.657 1.151 -0.268 1.00 0.00 C ATOM 1645 CD LYS A 107 -18.073 1.489 -0.738 1.00 0.00 C ATOM 1646 CE LYS A 107 -18.170 2.952 -1.175 1.00 0.00 C ATOM 1647 NZ LYS A 107 -19.436 3.192 -1.903 1.00 0.00 N ATOM 0 H LYS A 107 -14.780 2.275 3.450 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.393 1.469 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.710 0.868 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -17.051 2.510 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -15.929 1.607 -0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -16.502 0.073 -0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -18.350 0.839 -1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -18.783 1.298 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -18.116 3.603 -0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -17.323 3.204 -1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.293 3.940 -2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -19.734 2.317 -2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -20.172 3.488 -1.231 1.00 0.00 H new ATOM 1661 N ALA A 108 -14.699 3.908 -0.095 1.00 0.00 N ATOM 1662 CA ALA A 108 -14.439 5.294 -0.445 1.00 0.00 C ATOM 1663 C ALA A 108 -15.752 5.969 -0.849 1.00 0.00 C ATOM 1664 O ALA A 108 -16.385 5.568 -1.824 1.00 0.00 O ATOM 1665 CB ALA A 108 -13.388 5.352 -1.555 1.00 0.00 C ATOM 0 H ALA A 108 -14.909 3.300 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 108 -14.039 5.837 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.193 6.392 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.466 4.886 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.755 4.819 -2.432 1.00 0.00 H new ATOM 1671 N LEU A 109 -16.121 6.981 -0.078 1.00 0.00 N ATOM 1672 CA LEU A 109 -17.347 7.715 -0.343 1.00 0.00 C ATOM 1673 C LEU A 109 -17.003 9.051 -1.004 1.00 0.00 C ATOM 1674 O LEU A 109 -17.818 9.615 -1.733 1.00 0.00 O ATOM 1675 CB LEU A 109 -18.174 7.856 0.936 1.00 0.00 C ATOM 1676 CG LEU A 109 -17.968 6.768 1.992 1.00 0.00 C ATOM 1677 CD1 LEU A 109 -16.732 7.060 2.845 1.00 0.00 C ATOM 1678 CD2 LEU A 109 -19.224 6.587 2.846 1.00 0.00 C ATOM 0 H LEU A 109 -15.593 7.310 0.730 1.00 0.00 H new ATOM 0 HA LEU A 109 -17.977 7.166 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -17.945 8.821 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -19.229 7.874 0.663 1.00 0.00 H new ATOM 0 HG LEU A 109 -17.790 5.823 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -16.608 6.272 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -15.850 7.098 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.856 8.018 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -19.050 5.808 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -19.458 7.524 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -20.060 6.300 2.208 1.00 0.00 H new ATOM 1690 N THR A 110 -15.796 9.519 -0.725 1.00 0.00 N ATOM 1691 CA THR A 110 -15.334 10.779 -1.284 1.00 0.00 C ATOM 1692 C THR A 110 -13.913 10.632 -1.829 1.00 0.00 C ATOM 1693 O THR A 110 -13.170 9.746 -1.407 1.00 0.00 O ATOM 1694 CB THR A 110 -15.461 11.851 -0.200 1.00 0.00 C ATOM 1695 OG1 THR A 110 -14.909 13.019 -0.801 1.00 0.00 O ATOM 1696 CG2 THR A 110 -14.549 11.583 0.999 1.00 0.00 C ATOM 0 H THR A 110 -15.123 9.049 -0.119 1.00 0.00 H new ATOM 0 HA THR A 110 -15.944 11.082 -2.135 1.00 0.00 H new ATOM 0 HB THR A 110 -16.496 11.905 0.137 1.00 0.00 H new ATOM 0 HG1 THR A 110 -14.953 13.765 -0.167 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.678 12.373 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 110 -14.807 10.623 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.510 11.562 0.669 1.00 0.00 H new ATOM 1704 N GLU A 111 -13.576 11.513 -2.760 1.00 0.00 N ATOM 1705 CA GLU A 111 -12.256 11.492 -3.368 1.00 0.00 C ATOM 1706 C GLU A 111 -11.186 11.238 -2.304 1.00 0.00 C ATOM 1707 O GLU A 111 -10.979 12.065 -1.417 1.00 0.00 O ATOM 1708 CB GLU A 111 -11.980 12.792 -4.124 1.00 0.00 C ATOM 1709 CG GLU A 111 -10.948 12.574 -5.232 1.00 0.00 C ATOM 1710 CD GLU A 111 -11.055 13.662 -6.303 1.00 0.00 C ATOM 1711 OE1 GLU A 111 -12.105 13.689 -6.981 1.00 0.00 O ATOM 1712 OE2 GLU A 111 -10.084 14.440 -6.420 1.00 0.00 O ATOM 0 H GLU A 111 -14.194 12.246 -3.108 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.223 10.677 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.907 13.170 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.619 13.551 -3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.945 12.576 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.099 11.595 -5.687 1.00 0.00 H new ATOM 1719 N VAL A 112 -10.534 10.092 -2.428 1.00 0.00 N ATOM 1720 CA VAL A 112 -9.490 9.719 -1.488 1.00 0.00 C ATOM 1721 C VAL A 112 -8.150 9.644 -2.224 1.00 0.00 C ATOM 1722 O VAL A 112 -8.111 9.368 -3.422 1.00 0.00 O ATOM 1723 CB VAL A 112 -9.861 8.412 -0.785 1.00 0.00 C ATOM 1724 CG1 VAL A 112 -10.512 8.684 0.572 1.00 0.00 C ATOM 1725 CG2 VAL A 112 -10.770 7.554 -1.668 1.00 0.00 C ATOM 0 H VAL A 112 -10.708 9.409 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.390 10.474 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.941 7.854 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.766 7.738 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.817 9.236 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.418 9.273 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.019 6.631 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.685 8.103 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.254 7.316 -2.598 1.00 0.00 H new ATOM 1735 N GLU A 113 -7.086 9.893 -1.475 1.00 0.00 N ATOM 1736 CA GLU A 113 -5.748 9.857 -2.042 1.00 0.00 C ATOM 1737 C GLU A 113 -4.822 9.016 -1.161 1.00 0.00 C ATOM 1738 O GLU A 113 -4.598 9.345 0.003 1.00 0.00 O ATOM 1739 CB GLU A 113 -5.193 11.271 -2.228 1.00 0.00 C ATOM 1740 CG GLU A 113 -4.619 11.454 -3.634 1.00 0.00 C ATOM 1741 CD GLU A 113 -3.529 12.528 -3.646 1.00 0.00 C ATOM 1742 OE1 GLU A 113 -3.752 13.570 -2.992 1.00 0.00 O ATOM 1743 OE2 GLU A 113 -2.498 12.283 -4.309 1.00 0.00 O ATOM 0 H GLU A 113 -7.123 10.120 -0.481 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.803 9.392 -3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.984 12.001 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.417 11.461 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -4.207 10.509 -3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.417 11.733 -4.323 1.00 0.00 H new ATOM 1750 N ALA A 114 -4.308 7.946 -1.751 1.00 0.00 N ATOM 1751 CA ALA A 114 -3.411 7.055 -1.035 1.00 0.00 C ATOM 1752 C ALA A 114 -2.614 6.223 -2.042 1.00 0.00 C ATOM 1753 O ALA A 114 -2.852 6.305 -3.246 1.00 0.00 O ATOM 1754 CB ALA A 114 -4.219 6.185 -0.070 1.00 0.00 C ATOM 0 H ALA A 114 -4.496 7.676 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.697 7.625 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.546 5.516 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.743 6.822 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.944 5.596 -0.631 1.00 0.00 H new ATOM 1760 N PHE A 115 -1.685 5.441 -1.512 1.00 0.00 N ATOM 1761 CA PHE A 115 -0.852 4.595 -2.349 1.00 0.00 C ATOM 1762 C PHE A 115 -1.122 3.115 -2.074 1.00 0.00 C ATOM 1763 O PHE A 115 -1.871 2.777 -1.158 1.00 0.00 O ATOM 1764 CB PHE A 115 0.603 4.911 -1.996 1.00 0.00 C ATOM 1765 CG PHE A 115 1.088 6.267 -2.510 1.00 0.00 C ATOM 1766 CD1 PHE A 115 0.913 7.384 -1.754 1.00 0.00 C ATOM 1767 CD2 PHE A 115 1.694 6.357 -3.725 1.00 0.00 C ATOM 1768 CE1 PHE A 115 1.364 8.643 -2.231 1.00 0.00 C ATOM 1769 CE2 PHE A 115 2.145 7.616 -4.202 1.00 0.00 C ATOM 1770 CZ PHE A 115 1.970 8.732 -3.445 1.00 0.00 C ATOM 0 H PHE A 115 -1.491 5.376 -0.513 1.00 0.00 H new ATOM 0 HA PHE A 115 -1.066 4.786 -3.401 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.717 4.883 -0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.243 4.129 -2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.431 7.313 -0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.832 5.471 -4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 115 1.226 9.530 -1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.627 7.687 -5.166 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.313 9.690 -3.808 1.00 0.00 H new ATOM 1780 N ALA A 116 -0.498 2.272 -2.883 1.00 0.00 N ATOM 1781 CA ALA A 116 -0.661 0.835 -2.738 1.00 0.00 C ATOM 1782 C ALA A 116 0.661 0.220 -2.274 1.00 0.00 C ATOM 1783 O ALA A 116 1.717 0.834 -2.412 1.00 0.00 O ATOM 1784 CB ALA A 116 -1.148 0.241 -4.060 1.00 0.00 C ATOM 0 H ALA A 116 0.122 2.556 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.413 0.608 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.270 -0.837 -3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.104 0.689 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.417 0.446 -4.842 1.00 0.00 H new ATOM 1790 N LEU A 117 0.558 -0.985 -1.733 1.00 0.00 N ATOM 1791 CA LEU A 117 1.732 -1.690 -1.247 1.00 0.00 C ATOM 1792 C LEU A 117 1.470 -3.197 -1.287 1.00 0.00 C ATOM 1793 O LEU A 117 0.551 -3.688 -0.633 1.00 0.00 O ATOM 1794 CB LEU A 117 2.135 -1.172 0.135 1.00 0.00 C ATOM 1795 CG LEU A 117 3.633 -1.190 0.448 1.00 0.00 C ATOM 1796 CD1 LEU A 117 4.255 -2.537 0.075 1.00 0.00 C ATOM 1797 CD2 LEU A 117 4.348 -0.020 -0.231 1.00 0.00 C ATOM 0 H LEU A 117 -0.320 -1.491 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 117 2.587 -1.498 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.775 -0.148 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.619 -1.767 0.889 1.00 0.00 H new ATOM 0 HG LEU A 117 3.759 -1.065 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.320 -2.523 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.770 -3.331 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.119 -2.718 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.411 -0.056 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.215 -0.090 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.927 0.920 0.126 1.00 0.00 H new ATOM 1809 N ILE A 118 2.293 -3.888 -2.061 1.00 0.00 N ATOM 1810 CA ILE A 118 2.162 -5.329 -2.195 1.00 0.00 C ATOM 1811 C ILE A 118 2.863 -6.012 -1.019 1.00 0.00 C ATOM 1812 O ILE A 118 3.892 -5.535 -0.543 1.00 0.00 O ATOM 1813 CB ILE A 118 2.668 -5.789 -3.563 1.00 0.00 C ATOM 1814 CG1 ILE A 118 2.701 -7.316 -3.651 1.00 0.00 C ATOM 1815 CG2 ILE A 118 4.029 -5.167 -3.882 1.00 0.00 C ATOM 1816 CD1 ILE A 118 2.953 -7.777 -5.088 1.00 0.00 C ATOM 0 H ILE A 118 3.054 -3.477 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 118 1.113 -5.621 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 118 1.968 -5.438 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.483 -7.705 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.756 -7.725 -3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.366 -5.511 -4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.940 -4.081 -3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.752 -5.466 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.972 -8.866 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.157 -7.407 -5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.910 -7.387 -5.433 1.00 0.00 H new ATOM 1828 N ALA A 119 2.277 -7.118 -0.583 1.00 0.00 N ATOM 1829 CA ALA A 119 2.833 -7.871 0.528 1.00 0.00 C ATOM 1830 C ALA A 119 4.152 -8.514 0.094 1.00 0.00 C ATOM 1831 O ALA A 119 5.162 -8.392 0.785 1.00 0.00 O ATOM 1832 CB ALA A 119 1.811 -8.905 1.006 1.00 0.00 C ATOM 0 H ALA A 119 1.423 -7.510 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 119 3.048 -7.211 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.228 -9.470 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.903 -8.396 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.573 -9.586 0.189 1.00 0.00 H new ATOM 1838 N ASP A 120 4.100 -9.183 -1.048 1.00 0.00 N ATOM 1839 CA ASP A 120 5.278 -9.845 -1.582 1.00 0.00 C ATOM 1840 C ASP A 120 6.503 -8.955 -1.357 1.00 0.00 C ATOM 1841 O ASP A 120 7.351 -9.261 -0.521 1.00 0.00 O ATOM 1842 CB ASP A 120 5.140 -10.088 -3.086 1.00 0.00 C ATOM 1843 CG ASP A 120 5.104 -11.559 -3.503 1.00 0.00 C ATOM 1844 OD1 ASP A 120 5.570 -12.390 -2.693 1.00 0.00 O ATOM 1845 OD2 ASP A 120 4.611 -11.820 -4.621 1.00 0.00 O ATOM 0 H ASP A 120 3.260 -9.281 -1.619 1.00 0.00 H new ATOM 0 HA ASP A 120 5.388 -10.802 -1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.227 -9.605 -3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 120 5.972 -9.602 -3.595 1.00 0.00 H new ATOM 1850 N GLU A 121 6.556 -7.873 -2.119 1.00 0.00 N ATOM 1851 CA GLU A 121 7.662 -6.937 -2.014 1.00 0.00 C ATOM 1852 C GLU A 121 8.025 -6.707 -0.546 1.00 0.00 C ATOM 1853 O GLU A 121 9.199 -6.740 -0.180 1.00 0.00 O ATOM 1854 CB GLU A 121 7.331 -5.616 -2.711 1.00 0.00 C ATOM 1855 CG GLU A 121 7.240 -5.804 -4.227 1.00 0.00 C ATOM 1856 CD GLU A 121 8.611 -5.635 -4.884 1.00 0.00 C ATOM 1857 OE1 GLU A 121 9.340 -6.648 -4.945 1.00 0.00 O ATOM 1858 OE2 GLU A 121 8.899 -4.496 -5.311 1.00 0.00 O ATOM 0 H GLU A 121 5.851 -7.623 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 121 8.527 -7.369 -2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.386 -5.227 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.097 -4.876 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.845 -6.795 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.541 -5.080 -4.645 1.00 0.00 H new ATOM 1865 N LEU A 122 6.995 -6.477 0.256 1.00 0.00 N ATOM 1866 CA LEU A 122 7.190 -6.241 1.676 1.00 0.00 C ATOM 1867 C LEU A 122 8.035 -7.373 2.265 1.00 0.00 C ATOM 1868 O LEU A 122 9.113 -7.130 2.806 1.00 0.00 O ATOM 1869 CB LEU A 122 5.844 -6.049 2.377 1.00 0.00 C ATOM 1870 CG LEU A 122 5.695 -4.771 3.206 1.00 0.00 C ATOM 1871 CD1 LEU A 122 4.239 -4.552 3.619 1.00 0.00 C ATOM 1872 CD2 LEU A 122 6.637 -4.787 4.411 1.00 0.00 C ATOM 0 H LEU A 122 6.023 -6.449 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 122 7.741 -5.314 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.058 -6.062 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.672 -6.904 3.030 1.00 0.00 H new ATOM 0 HG LEU A 122 5.983 -3.924 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.161 -3.637 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.617 -4.465 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.899 -5.398 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 122 6.511 -3.868 4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.404 -5.643 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.668 -4.861 4.066 1.00 0.00 H new ATOM 1884 N LYS A 123 7.514 -8.584 2.141 1.00 0.00 N ATOM 1885 CA LYS A 123 8.206 -9.754 2.654 1.00 0.00 C ATOM 1886 C LYS A 123 9.654 -9.741 2.161 1.00 0.00 C ATOM 1887 O LYS A 123 10.586 -9.836 2.958 1.00 0.00 O ATOM 1888 CB LYS A 123 7.444 -11.030 2.292 1.00 0.00 C ATOM 1889 CG LYS A 123 6.122 -11.116 3.058 1.00 0.00 C ATOM 1890 CD LYS A 123 6.015 -12.438 3.820 1.00 0.00 C ATOM 1891 CE LYS A 123 5.375 -13.522 2.951 1.00 0.00 C ATOM 1892 NZ LYS A 123 6.333 -14.622 2.705 1.00 0.00 N ATOM 0 H LYS A 123 6.619 -8.781 1.692 1.00 0.00 H new ATOM 0 HA LYS A 123 8.239 -9.730 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 123 7.249 -11.049 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 123 8.058 -11.901 2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.047 -10.283 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 123 5.288 -11.025 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.007 -12.760 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.422 -12.294 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.484 -13.911 3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 123 5.054 -13.093 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 5.882 -15.349 2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.172 -14.249 2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 6.619 -15.042 3.612 1.00 0.00 H new ATOM 1906 N PHE A 124 9.798 -9.623 0.849 1.00 0.00 N ATOM 1907 CA PHE A 124 11.117 -9.597 0.240 1.00 0.00 C ATOM 1908 C PHE A 124 12.010 -8.552 0.911 1.00 0.00 C ATOM 1909 O PHE A 124 13.015 -8.895 1.531 1.00 0.00 O ATOM 1910 CB PHE A 124 10.923 -9.217 -1.230 1.00 0.00 C ATOM 1911 CG PHE A 124 12.221 -8.857 -1.956 1.00 0.00 C ATOM 1912 CD1 PHE A 124 12.675 -7.575 -1.940 1.00 0.00 C ATOM 1913 CD2 PHE A 124 12.920 -9.818 -2.616 1.00 0.00 C ATOM 1914 CE1 PHE A 124 13.880 -7.241 -2.614 1.00 0.00 C ATOM 1915 CE2 PHE A 124 14.124 -9.484 -3.290 1.00 0.00 C ATOM 1916 CZ PHE A 124 14.579 -8.202 -3.275 1.00 0.00 C ATOM 0 H PHE A 124 9.023 -9.544 0.191 1.00 0.00 H new ATOM 0 HA PHE A 124 11.597 -10.570 0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.447 -10.048 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 124 10.239 -8.370 -1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.120 -6.812 -1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.559 -10.836 -2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 124 14.241 -6.223 -2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.679 -10.248 -3.815 1.00 0.00 H new ATOM 0 HZ PHE A 124 15.495 -7.948 -3.788 1.00 0.00 H new ATOM 1926 N VAL A 125 11.611 -7.297 0.763 1.00 0.00 N ATOM 1927 CA VAL A 125 12.363 -6.199 1.348 1.00 0.00 C ATOM 1928 C VAL A 125 12.511 -6.432 2.853 1.00 0.00 C ATOM 1929 O VAL A 125 13.511 -6.037 3.450 1.00 0.00 O ATOM 1930 CB VAL A 125 11.690 -4.867 1.012 1.00 0.00 C ATOM 1931 CG1 VAL A 125 10.609 -4.525 2.040 1.00 0.00 C ATOM 1932 CG2 VAL A 125 12.722 -3.742 0.907 1.00 0.00 C ATOM 0 H VAL A 125 10.777 -7.016 0.247 1.00 0.00 H new ATOM 0 HA VAL A 125 13.367 -6.156 0.926 1.00 0.00 H new ATOM 0 HB VAL A 125 11.208 -4.971 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.146 -3.574 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.851 -5.308 2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 125 11.059 -4.449 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 125 12.217 -2.806 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 125 13.246 -3.639 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 125 13.440 -3.979 0.121 1.00 0.00 H new ATOM 1942 N ALA A 126 11.501 -7.073 3.422 1.00 0.00 N ATOM 1943 CA ALA A 126 11.506 -7.364 4.846 1.00 0.00 C ATOM 1944 C ALA A 126 12.592 -8.399 5.147 1.00 0.00 C ATOM 1945 O ALA A 126 13.395 -8.214 6.060 1.00 0.00 O ATOM 1946 CB ALA A 126 10.115 -7.835 5.276 1.00 0.00 C ATOM 0 H ALA A 126 10.673 -7.399 2.923 1.00 0.00 H new ATOM 0 HA ALA A 126 11.738 -6.467 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.119 -8.053 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.385 -7.052 5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.849 -8.735 4.723 1.00 0.00 H new ATOM 1952 N SER A 127 12.581 -9.466 4.361 1.00 0.00 N ATOM 1953 CA SER A 127 13.554 -10.531 4.532 1.00 0.00 C ATOM 1954 C SER A 127 14.940 -10.048 4.100 1.00 0.00 C ATOM 1955 O SER A 127 15.896 -10.125 4.869 1.00 0.00 O ATOM 1956 CB SER A 127 13.154 -11.776 3.738 1.00 0.00 C ATOM 1957 OG SER A 127 13.866 -12.934 4.166 1.00 0.00 O ATOM 0 H SER A 127 11.914 -9.615 3.604 1.00 0.00 H new ATOM 0 HA SER A 127 13.583 -10.801 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 127 12.083 -11.948 3.848 1.00 0.00 H new ATOM 0 HB3 SER A 127 13.342 -11.606 2.678 1.00 0.00 H new ATOM 0 HG SER A 127 13.581 -13.708 3.636 1.00 0.00 H new