USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 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 37 ASN : amide:sc= -0.996 K(o=-1,f=-0.36) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -138:sc= 0.267 (180deg=-0.0159) USER MOD Single : A 25 MET CE :methyl 148:sc= -0.612 (180deg=-2.31!) USER MOD Single : A 27 THR OG1 : rot -93:sc= 1.03 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 140:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -4.73 K(o=-4.7,f=-6!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.017) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.057 (180deg=-0.416) USER MOD Single : A 54 GLN : amide:sc= -3.54 X(o=-3.5,f=-3.4) USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= -0.0281 (180deg=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.224) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 65 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.5) USER MOD Single : A 72 GLN : amide:sc= 0.195 X(o=0.2,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 197 N TRP A 16 -0.061 -6.341 -2.026 1.00 0.00 N ATOM 198 CA TRP A 16 -0.806 -5.461 -1.133 1.00 0.00 C ATOM 199 C TRP A 16 -0.588 -5.852 0.324 1.00 0.00 C ATOM 200 O TRP A 16 -0.139 -5.041 1.133 1.00 0.00 O ATOM 201 CB TRP A 16 -2.298 -5.504 -1.468 1.00 0.00 C ATOM 202 CG TRP A 16 -2.691 -4.551 -2.557 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.890 -4.072 -3.554 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.980 -3.961 -2.755 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.605 -3.220 -4.361 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.889 -3.135 -3.893 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.202 -4.051 -2.084 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.974 -2.405 -4.370 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.278 -3.325 -2.559 1.00 0.00 C ATOM 210 CH2 TRP A 16 -6.159 -2.511 -3.693 1.00 0.00 C ATOM 0 HA TRP A 16 -0.438 -4.445 -1.276 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.567 -6.517 -1.767 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.871 -5.274 -0.570 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.849 -4.325 -3.688 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.238 -2.730 -5.177 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.304 -4.677 -1.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.884 -1.777 -5.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.227 -3.386 -2.047 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.019 -1.957 -4.040 1.00 0.00 H new ATOM 221 N GLU A 17 -0.910 -7.100 0.652 1.00 0.00 N ATOM 222 CA GLU A 17 -0.749 -7.597 2.013 1.00 0.00 C ATOM 223 C GLU A 17 0.612 -7.201 2.579 1.00 0.00 C ATOM 224 O GLU A 17 0.728 -6.833 3.749 1.00 0.00 O ATOM 225 CB GLU A 17 -0.904 -9.119 2.046 1.00 0.00 C ATOM 226 CG GLU A 17 -0.135 -9.833 0.947 1.00 0.00 C ATOM 227 CD GLU A 17 -0.115 -11.338 1.132 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.151 -11.983 0.866 1.00 0.00 O ATOM 229 OE2 GLU A 17 0.937 -11.870 1.544 1.00 0.00 O ATOM 0 H GLU A 17 -1.283 -7.784 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.526 -7.147 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.566 -9.489 3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.961 -9.370 1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.583 -9.595 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.889 -9.460 0.924 1.00 0.00 H new ATOM 236 N LYS A 18 1.640 -7.281 1.742 1.00 0.00 N ATOM 237 CA LYS A 18 2.994 -6.931 2.156 1.00 0.00 C ATOM 238 C LYS A 18 3.075 -5.466 2.570 1.00 0.00 C ATOM 239 O LYS A 18 3.558 -5.144 3.655 1.00 0.00 O ATOM 240 CB LYS A 18 3.984 -7.208 1.022 1.00 0.00 C ATOM 241 CG LYS A 18 5.371 -7.592 1.506 1.00 0.00 C ATOM 242 CD LYS A 18 6.446 -7.151 0.527 1.00 0.00 C ATOM 243 CE LYS A 18 6.938 -5.745 0.836 1.00 0.00 C ATOM 244 NZ LYS A 18 7.437 -5.051 -0.384 1.00 0.00 N ATOM 0 H LYS A 18 1.562 -7.585 0.772 1.00 0.00 H new ATOM 0 HA LYS A 18 3.255 -7.548 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.592 -8.010 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.060 -6.321 0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.556 -7.138 2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.423 -8.672 1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.283 -7.848 0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.051 -7.185 -0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.127 -5.165 1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.735 -5.794 1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.311 -4.535 -0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.632 -5.752 -1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.717 -4.380 -0.721 1.00 0.00 H new ATOM 258 N GLU A 19 2.597 -4.582 1.699 1.00 0.00 N ATOM 259 CA GLU A 19 2.616 -3.151 1.976 1.00 0.00 C ATOM 260 C GLU A 19 1.787 -2.825 3.216 1.00 0.00 C ATOM 261 O GLU A 19 2.154 -1.961 4.010 1.00 0.00 O ATOM 262 CB GLU A 19 2.083 -2.369 0.773 1.00 0.00 C ATOM 263 CG GLU A 19 2.948 -2.499 -0.469 1.00 0.00 C ATOM 264 CD GLU A 19 4.412 -2.723 -0.139 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.804 -3.893 0.049 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.164 -1.728 -0.069 1.00 0.00 O ATOM 0 H GLU A 19 2.192 -4.832 0.797 1.00 0.00 H new ATOM 0 HA GLU A 19 3.649 -2.857 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.076 -2.716 0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.003 -1.316 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.585 -3.329 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.849 -1.597 -1.072 1.00 0.00 H new ATOM 273 N GLU A 20 0.667 -3.525 3.372 1.00 0.00 N ATOM 274 CA GLU A 20 -0.214 -3.310 4.513 1.00 0.00 C ATOM 275 C GLU A 20 0.582 -3.258 5.814 1.00 0.00 C ATOM 276 O GLU A 20 0.212 -2.555 6.753 1.00 0.00 O ATOM 277 CB GLU A 20 -1.266 -4.418 4.590 1.00 0.00 C ATOM 278 CG GLU A 20 -2.547 -4.095 3.839 1.00 0.00 C ATOM 279 CD GLU A 20 -3.447 -3.144 4.603 1.00 0.00 C ATOM 280 OE1 GLU A 20 -3.905 -3.516 5.703 1.00 0.00 O ATOM 281 OE2 GLU A 20 -3.693 -2.027 4.101 1.00 0.00 O ATOM 0 H GLU A 20 0.349 -4.245 2.723 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.715 -2.352 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.842 -5.338 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.506 -4.607 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.297 -3.656 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.089 -5.019 3.638 1.00 0.00 H new ATOM 288 N ALA A 21 1.678 -4.009 5.860 1.00 0.00 N ATOM 289 CA ALA A 21 2.528 -4.048 7.043 1.00 0.00 C ATOM 290 C ALA A 21 3.332 -2.760 7.185 1.00 0.00 C ATOM 291 O ALA A 21 3.606 -2.307 8.297 1.00 0.00 O ATOM 292 CB ALA A 21 3.459 -5.250 6.984 1.00 0.00 C ATOM 0 H ALA A 21 1.998 -4.598 5.091 1.00 0.00 H new ATOM 0 HA ALA A 21 1.886 -4.142 7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.088 -5.267 7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.869 -6.165 6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.088 -5.180 6.096 1.00 0.00 H new ATOM 298 N LEU A 22 3.707 -2.175 6.053 1.00 0.00 N ATOM 299 CA LEU A 22 4.481 -0.938 6.051 1.00 0.00 C ATOM 300 C LEU A 22 3.644 0.228 6.567 1.00 0.00 C ATOM 301 O LEU A 22 4.182 1.240 7.014 1.00 0.00 O ATOM 302 CB LEU A 22 4.987 -0.633 4.640 1.00 0.00 C ATOM 303 CG LEU A 22 5.780 -1.747 3.956 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.804 -1.537 2.450 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.196 -1.812 4.510 1.00 0.00 C ATOM 0 H LEU A 22 3.488 -2.537 5.125 1.00 0.00 H new ATOM 0 HA LEU A 22 5.335 -1.070 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.130 -0.387 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.614 0.257 4.685 1.00 0.00 H new ATOM 0 HG LEU A 22 5.287 -2.697 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.373 -2.339 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.784 -1.542 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.273 -0.579 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.745 -2.611 4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.699 -0.861 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.159 -2.011 5.581 1.00 0.00 H new ATOM 317 N GLY A 23 2.325 0.077 6.504 1.00 0.00 N ATOM 318 CA GLY A 23 1.435 1.125 6.970 1.00 0.00 C ATOM 319 C GLY A 23 1.606 2.417 6.197 1.00 0.00 C ATOM 320 O GLY A 23 1.345 2.467 4.996 1.00 0.00 O ATOM 0 H GLY A 23 1.856 -0.752 6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.403 0.786 6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.620 1.311 8.028 1.00 0.00 H new ATOM 324 N GLU A 24 2.044 3.465 6.888 1.00 0.00 N ATOM 325 CA GLU A 24 2.246 4.764 6.258 1.00 0.00 C ATOM 326 C GLU A 24 3.367 4.699 5.224 1.00 0.00 C ATOM 327 O GLU A 24 3.577 5.641 4.460 1.00 0.00 O ATOM 328 CB GLU A 24 2.572 5.823 7.313 1.00 0.00 C ATOM 329 CG GLU A 24 1.479 6.002 8.353 1.00 0.00 C ATOM 330 CD GLU A 24 1.964 6.736 9.589 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.521 7.844 9.439 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.787 6.203 10.704 1.00 0.00 O ATOM 0 H GLU A 24 2.265 3.440 7.883 1.00 0.00 H new ATOM 0 HA GLU A 24 1.322 5.040 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.499 5.549 7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.749 6.777 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.648 6.552 7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.095 5.024 8.643 1.00 0.00 H new ATOM 339 N MET A 25 4.083 3.580 5.207 1.00 0.00 N ATOM 340 CA MET A 25 5.182 3.391 4.267 1.00 0.00 C ATOM 341 C MET A 25 4.710 2.649 3.021 1.00 0.00 C ATOM 342 O MET A 25 5.442 2.541 2.037 1.00 0.00 O ATOM 343 CB MET A 25 6.324 2.620 4.932 1.00 0.00 C ATOM 344 CG MET A 25 7.349 3.515 5.609 1.00 0.00 C ATOM 345 SD MET A 25 9.007 2.806 5.595 1.00 0.00 S ATOM 346 CE MET A 25 9.193 2.412 3.857 1.00 0.00 C ATOM 0 H MET A 25 3.922 2.791 5.833 1.00 0.00 H new ATOM 0 HA MET A 25 5.544 4.375 3.967 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.907 1.936 5.671 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.826 2.011 4.180 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.368 4.483 5.108 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.044 3.695 6.640 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.240 2.514 3.571 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.867 1.387 3.679 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.586 3.095 3.262 1.00 0.00 H new ATOM 356 N ALA A 26 3.484 2.139 3.070 1.00 0.00 N ATOM 357 CA ALA A 26 2.914 1.409 1.944 1.00 0.00 C ATOM 358 C ALA A 26 3.293 2.061 0.619 1.00 0.00 C ATOM 359 O ALA A 26 3.058 3.252 0.411 1.00 0.00 O ATOM 360 CB ALA A 26 1.401 1.326 2.080 1.00 0.00 C ATOM 0 H ALA A 26 2.866 2.218 3.878 1.00 0.00 H new ATOM 0 HA ALA A 26 3.324 0.399 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.989 0.778 1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.147 0.808 3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.982 2.332 2.100 1.00 0.00 H new ATOM 366 N THR A 27 3.882 1.274 -0.276 1.00 0.00 N ATOM 367 CA THR A 27 4.295 1.775 -1.581 1.00 0.00 C ATOM 368 C THR A 27 3.126 1.791 -2.559 1.00 0.00 C ATOM 369 O THR A 27 3.300 2.068 -3.746 1.00 0.00 O ATOM 370 CB THR A 27 5.435 0.926 -2.174 1.00 0.00 C ATOM 371 OG1 THR A 27 4.964 -0.397 -2.455 1.00 0.00 O ATOM 372 CG2 THR A 27 6.614 0.856 -1.215 1.00 0.00 C ATOM 0 H THR A 27 4.084 0.286 -0.121 1.00 0.00 H new ATOM 0 HA THR A 27 4.652 2.794 -1.430 1.00 0.00 H new ATOM 0 HB THR A 27 5.767 1.398 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.140 -0.977 -1.685 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.406 0.251 -1.656 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.989 1.862 -1.025 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.293 0.405 -0.276 1.00 0.00 H new ATOM 380 N VAL A 28 1.933 1.493 -2.054 1.00 0.00 N ATOM 381 CA VAL A 28 0.734 1.475 -2.883 1.00 0.00 C ATOM 382 C VAL A 28 -0.178 2.652 -2.556 1.00 0.00 C ATOM 383 O VAL A 28 -0.132 3.199 -1.455 1.00 0.00 O ATOM 384 CB VAL A 28 -0.053 0.164 -2.702 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.778 -0.205 -3.988 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.874 -0.958 -2.262 1.00 0.00 C ATOM 0 H VAL A 28 1.771 1.261 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 28 1.064 1.552 -3.919 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.800 0.313 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.329 -1.134 -3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.473 0.591 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.052 -0.336 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.300 -1.877 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.645 -1.110 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.342 -0.693 -1.314 1.00 0.00 H new ATOM 396 N ALA A 29 -1.006 3.037 -3.521 1.00 0.00 N ATOM 397 CA ALA A 29 -1.932 4.148 -3.336 1.00 0.00 C ATOM 398 C ALA A 29 -3.055 3.773 -2.375 1.00 0.00 C ATOM 399 O ALA A 29 -3.263 4.414 -1.345 1.00 0.00 O ATOM 400 CB ALA A 29 -2.505 4.587 -4.675 1.00 0.00 C ATOM 0 H ALA A 29 -1.055 2.596 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.379 4.980 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.195 5.417 -4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.695 4.905 -5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.037 3.754 -5.134 1.00 0.00 H new ATOM 406 N PRO A 30 -3.797 2.710 -2.718 1.00 0.00 N ATOM 407 CA PRO A 30 -4.912 2.225 -1.899 1.00 0.00 C ATOM 408 C PRO A 30 -4.441 1.597 -0.591 1.00 0.00 C ATOM 409 O PRO A 30 -4.923 1.946 0.486 1.00 0.00 O ATOM 410 CB PRO A 30 -5.575 1.171 -2.789 1.00 0.00 C ATOM 411 CG PRO A 30 -4.489 0.705 -3.697 1.00 0.00 C ATOM 412 CD PRO A 30 -3.605 1.898 -3.932 1.00 0.00 C ATOM 0 HA PRO A 30 -5.580 3.033 -1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.976 0.348 -2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.407 1.594 -3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.928 -0.114 -3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.899 0.332 -4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.562 1.607 -4.060 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.896 2.443 -4.830 1.00 0.00 H new ATOM 420 N VAL A 31 -3.495 0.669 -0.693 1.00 0.00 N ATOM 421 CA VAL A 31 -2.957 -0.006 0.482 1.00 0.00 C ATOM 422 C VAL A 31 -2.388 0.996 1.480 1.00 0.00 C ATOM 423 O VAL A 31 -2.141 0.663 2.640 1.00 0.00 O ATOM 424 CB VAL A 31 -1.855 -1.011 0.096 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.576 -1.966 1.247 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.248 -1.776 -1.158 1.00 0.00 C ATOM 0 H VAL A 31 -3.085 0.368 -1.577 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.785 -0.544 0.944 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.940 -0.457 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.795 -2.668 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.248 -1.399 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.485 -2.515 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.458 -2.481 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.175 -2.320 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.393 -1.076 -1.981 1.00 0.00 H new ATOM 436 N LEU A 32 -2.183 2.226 1.022 1.00 0.00 N ATOM 437 CA LEU A 32 -1.644 3.280 1.875 1.00 0.00 C ATOM 438 C LEU A 32 -2.766 4.103 2.500 1.00 0.00 C ATOM 439 O LEU A 32 -2.814 4.283 3.717 1.00 0.00 O ATOM 440 CB LEU A 32 -0.716 4.191 1.070 1.00 0.00 C ATOM 441 CG LEU A 32 -0.318 5.506 1.740 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.412 5.239 3.047 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.545 6.341 0.806 1.00 0.00 C ATOM 0 H LEU A 32 -2.382 2.518 0.065 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.075 2.808 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.193 3.636 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.200 4.422 0.121 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.225 6.068 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.688 6.187 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.239 4.682 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.312 4.657 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.819 7.273 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.448 5.786 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.013 6.563 -0.104 1.00 0.00 H new ATOM 455 N TYR A 33 -3.668 4.597 1.660 1.00 0.00 N ATOM 456 CA TYR A 33 -4.790 5.401 2.129 1.00 0.00 C ATOM 457 C TYR A 33 -5.458 4.751 3.337 1.00 0.00 C ATOM 458 O TYR A 33 -5.625 5.379 4.383 1.00 0.00 O ATOM 459 CB TYR A 33 -5.813 5.591 1.008 1.00 0.00 C ATOM 460 CG TYR A 33 -7.159 6.081 1.493 1.00 0.00 C ATOM 461 CD1 TYR A 33 -8.106 5.194 1.988 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.483 7.432 1.456 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.337 5.637 2.431 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.711 7.885 1.898 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.635 6.983 2.385 1.00 0.00 C ATOM 466 OH TYR A 33 -10.859 7.429 2.826 1.00 0.00 O ATOM 0 H TYR A 33 -3.644 4.455 0.650 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.405 6.376 2.429 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.417 6.302 0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.947 4.644 0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.876 4.140 2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.762 8.140 1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.062 4.933 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.946 8.938 1.863 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.908 8.403 2.726 1.00 0.00 H new ATOM 476 N THR A 34 -5.839 3.486 3.186 1.00 0.00 N ATOM 477 CA THR A 34 -6.489 2.749 4.262 1.00 0.00 C ATOM 478 C THR A 34 -5.582 2.646 5.483 1.00 0.00 C ATOM 479 O THR A 34 -6.021 2.854 6.613 1.00 0.00 O ATOM 480 CB THR A 34 -6.888 1.332 3.811 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.787 0.700 3.148 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.089 1.378 2.879 1.00 0.00 C ATOM 0 H THR A 34 -5.708 2.951 2.328 1.00 0.00 H new ATOM 0 HA THR A 34 -7.389 3.304 4.527 1.00 0.00 H new ATOM 0 HB THR A 34 -7.157 0.756 4.696 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.741 -0.242 3.416 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.352 0.365 2.574 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.934 1.832 3.397 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.843 1.970 1.997 1.00 0.00 H new ATOM 490 N ASN A 35 -4.314 2.323 5.247 1.00 0.00 N ATOM 491 CA ASN A 35 -3.345 2.192 6.329 1.00 0.00 C ATOM 492 C ASN A 35 -3.412 3.392 7.268 1.00 0.00 C ATOM 493 O ASN A 35 -3.216 3.260 8.477 1.00 0.00 O ATOM 494 CB ASN A 35 -1.931 2.053 5.761 1.00 0.00 C ATOM 495 CG ASN A 35 -1.601 0.624 5.376 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.349 -0.303 5.686 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.474 0.440 4.698 1.00 0.00 N ATOM 0 H ASN A 35 -3.934 2.147 4.317 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.591 1.295 6.897 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.829 2.695 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.210 2.403 6.499 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.198 -0.500 4.413 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.116 1.238 4.463 1.00 0.00 H new ATOM 504 N ILE A 36 -3.691 4.563 6.704 1.00 0.00 N ATOM 505 CA ILE A 36 -3.786 5.786 7.491 1.00 0.00 C ATOM 506 C ILE A 36 -5.225 6.057 7.916 1.00 0.00 C ATOM 507 O ILE A 36 -5.546 6.042 9.103 1.00 0.00 O ATOM 508 CB ILE A 36 -3.256 7.002 6.708 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.782 6.802 6.349 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.442 8.276 7.518 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.260 7.816 5.355 1.00 0.00 C ATOM 0 H ILE A 36 -3.855 4.690 5.705 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.170 5.638 8.378 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.826 7.097 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.184 6.856 7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.649 5.801 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.063 9.126 6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.502 8.423 7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.895 8.193 8.457 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.209 7.614 5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.833 7.747 4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.361 8.818 5.771 1.00 0.00 H new ATOM 523 N ASN A 37 -6.089 6.302 6.936 1.00 0.00 N ATOM 524 CA ASN A 37 -7.496 6.574 7.208 1.00 0.00 C ATOM 525 C ASN A 37 -8.088 5.512 8.130 1.00 0.00 C ATOM 526 O ASN A 37 -8.706 5.831 9.145 1.00 0.00 O ATOM 527 CB ASN A 37 -8.288 6.629 5.900 1.00 0.00 C ATOM 528 CG ASN A 37 -8.176 7.976 5.212 1.00 0.00 C ATOM 529 OD1 ASN A 37 -9.061 8.823 5.333 1.00 0.00 O ATOM 530 ND2 ASN A 37 -7.083 8.180 4.485 1.00 0.00 N ATOM 0 H ASN A 37 -5.840 6.318 5.947 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.563 7.541 7.707 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.929 5.850 5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.337 6.415 6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.952 9.067 3.999 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.375 7.449 4.413 1.00 0.00 H new ATOM 537 N PHE A 38 -7.893 4.248 7.769 1.00 0.00 N ATOM 538 CA PHE A 38 -8.407 3.139 8.562 1.00 0.00 C ATOM 539 C PHE A 38 -7.278 2.437 9.312 1.00 0.00 C ATOM 540 O PHE A 38 -6.688 1.469 8.831 1.00 0.00 O ATOM 541 CB PHE A 38 -9.138 2.138 7.665 1.00 0.00 C ATOM 542 CG PHE A 38 -10.367 2.704 7.013 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.270 3.441 5.844 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.620 2.500 7.570 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.399 3.963 5.241 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.752 3.020 6.971 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.641 3.753 5.806 1.00 0.00 C ATOM 0 H PHE A 38 -7.382 3.967 6.932 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.109 3.542 9.292 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.454 1.789 6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.419 1.268 8.259 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.301 3.610 5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.713 1.929 8.482 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.310 4.534 4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.723 2.853 7.414 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.524 4.161 5.338 1.00 0.00 H new ATOM 557 N PRO A 39 -6.969 2.935 10.518 1.00 0.00 N ATOM 558 CA PRO A 39 -5.910 2.372 11.360 1.00 0.00 C ATOM 559 C PRO A 39 -6.277 0.999 11.912 1.00 0.00 C ATOM 560 O PRO A 39 -5.462 0.078 11.902 1.00 0.00 O ATOM 561 CB PRO A 39 -5.782 3.389 12.496 1.00 0.00 C ATOM 562 CG PRO A 39 -7.114 4.051 12.565 1.00 0.00 C ATOM 563 CD PRO A 39 -7.632 4.087 11.153 1.00 0.00 C ATOM 0 HA PRO A 39 -4.986 2.216 10.803 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.534 2.901 13.438 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.991 4.111 12.293 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.792 3.498 13.215 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.029 5.057 12.975 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.718 3.994 11.121 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.377 5.022 10.655 1.00 0.00 H new ATOM 571 N ASN A 40 -7.509 0.870 12.394 1.00 0.00 N ATOM 572 CA ASN A 40 -7.983 -0.391 12.952 1.00 0.00 C ATOM 573 C ASN A 40 -8.546 -1.292 11.857 1.00 0.00 C ATOM 574 O ASN A 40 -9.236 -2.273 12.138 1.00 0.00 O ATOM 575 CB ASN A 40 -9.053 -0.133 14.015 1.00 0.00 C ATOM 576 CG ASN A 40 -8.507 0.620 15.213 1.00 0.00 C ATOM 577 OD1 ASN A 40 -7.738 0.075 16.005 1.00 0.00 O ATOM 578 ND2 ASN A 40 -8.905 1.880 15.351 1.00 0.00 N ATOM 0 H ASN A 40 -8.197 1.623 12.409 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.135 -0.896 13.415 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.871 0.436 13.573 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.469 -1.084 14.346 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.572 2.437 16.138 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.544 2.291 14.670 1.00 0.00 H new ATOM 585 N LEU A 41 -8.246 -0.954 10.608 1.00 0.00 N ATOM 586 CA LEU A 41 -8.720 -1.732 9.469 1.00 0.00 C ATOM 587 C LEU A 41 -8.563 -3.227 9.728 1.00 0.00 C ATOM 588 O LEU A 41 -9.531 -3.985 9.661 1.00 0.00 O ATOM 589 CB LEU A 41 -7.956 -1.340 8.203 1.00 0.00 C ATOM 590 CG LEU A 41 -8.437 -1.983 6.902 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.528 -1.139 6.261 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.274 -2.175 5.940 1.00 0.00 C ATOM 0 H LEU A 41 -7.676 -0.146 10.358 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.779 -1.515 9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.010 -0.257 8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.905 -1.594 8.344 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.854 -2.962 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.858 -1.612 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.372 -1.054 6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.137 -0.146 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.635 -2.634 5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.827 -1.207 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.526 -2.822 6.398 1.00 0.00 H new ATOM 604 N LYS A 42 -7.338 -3.645 10.026 1.00 0.00 N ATOM 605 CA LYS A 42 -7.053 -5.049 10.299 1.00 0.00 C ATOM 606 C LYS A 42 -8.122 -5.655 11.204 1.00 0.00 C ATOM 607 O LYS A 42 -8.594 -6.765 10.963 1.00 0.00 O ATOM 608 CB LYS A 42 -5.676 -5.194 10.951 1.00 0.00 C ATOM 609 CG LYS A 42 -5.498 -4.339 12.194 1.00 0.00 C ATOM 610 CD LYS A 42 -4.166 -4.611 12.872 1.00 0.00 C ATOM 611 CE LYS A 42 -4.181 -5.935 13.619 1.00 0.00 C ATOM 612 NZ LYS A 42 -3.120 -5.996 14.662 1.00 0.00 N ATOM 0 H LYS A 42 -6.526 -3.031 10.085 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.057 -5.586 9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.516 -6.240 11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.909 -4.927 10.224 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.561 -3.285 11.924 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.310 -4.538 12.893 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.372 -4.622 12.125 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.938 -3.803 13.567 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.156 -6.078 14.084 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.042 -6.753 12.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.164 -6.914 15.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.187 -5.885 14.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.267 -5.232 15.352 1.00 0.00 H new ATOM 626 N GLU A 43 -8.498 -4.917 12.243 1.00 0.00 N ATOM 627 CA GLU A 43 -9.512 -5.383 13.183 1.00 0.00 C ATOM 628 C GLU A 43 -10.853 -5.582 12.482 1.00 0.00 C ATOM 629 O GLU A 43 -11.410 -6.679 12.487 1.00 0.00 O ATOM 630 CB GLU A 43 -9.668 -4.387 14.334 1.00 0.00 C ATOM 631 CG GLU A 43 -8.385 -4.148 15.111 1.00 0.00 C ATOM 632 CD GLU A 43 -8.641 -3.741 16.549 1.00 0.00 C ATOM 633 OE1 GLU A 43 -8.729 -4.638 17.413 1.00 0.00 O ATOM 634 OE2 GLU A 43 -8.753 -2.525 16.810 1.00 0.00 O ATOM 0 H GLU A 43 -8.117 -3.995 12.456 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.186 -6.342 13.584 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.023 -3.437 13.935 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.434 -4.752 15.018 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.781 -5.055 15.096 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.804 -3.370 14.615 1.00 0.00 H new ATOM 641 N GLU A 44 -11.364 -4.512 11.881 1.00 0.00 N ATOM 642 CA GLU A 44 -12.640 -4.569 11.177 1.00 0.00 C ATOM 643 C GLU A 44 -12.692 -5.774 10.242 1.00 0.00 C ATOM 644 O GLU A 44 -13.721 -6.440 10.126 1.00 0.00 O ATOM 645 CB GLU A 44 -12.867 -3.282 10.382 1.00 0.00 C ATOM 646 CG GLU A 44 -13.537 -2.180 11.186 1.00 0.00 C ATOM 647 CD GLU A 44 -14.760 -2.668 11.938 1.00 0.00 C ATOM 648 OE1 GLU A 44 -15.867 -2.623 11.363 1.00 0.00 O ATOM 649 OE2 GLU A 44 -14.609 -3.094 13.102 1.00 0.00 O ATOM 0 H GLU A 44 -10.915 -3.596 11.867 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.431 -4.673 11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.908 -2.919 10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.480 -3.507 9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.820 -1.766 11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.826 -1.371 10.516 1.00 0.00 H new ATOM 656 N PHE A 45 -11.575 -6.047 9.576 1.00 0.00 N ATOM 657 CA PHE A 45 -11.493 -7.170 8.650 1.00 0.00 C ATOM 658 C PHE A 45 -10.213 -7.970 8.876 1.00 0.00 C ATOM 659 O PHE A 45 -9.154 -7.663 8.327 1.00 0.00 O ATOM 660 CB PHE A 45 -11.547 -6.671 7.204 1.00 0.00 C ATOM 661 CG PHE A 45 -12.441 -5.479 7.014 1.00 0.00 C ATOM 662 CD1 PHE A 45 -13.805 -5.577 7.238 1.00 0.00 C ATOM 663 CD2 PHE A 45 -11.917 -4.261 6.614 1.00 0.00 C ATOM 664 CE1 PHE A 45 -14.630 -4.482 7.063 1.00 0.00 C ATOM 665 CE2 PHE A 45 -12.737 -3.162 6.438 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.095 -3.273 6.664 1.00 0.00 C ATOM 0 H PHE A 45 -10.714 -5.506 9.660 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.346 -7.823 8.834 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.539 -6.414 6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.893 -7.481 6.561 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.228 -6.519 7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.856 -4.169 6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -15.692 -4.572 7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -12.316 -2.218 6.124 1.00 0.00 H new ATOM 0 HZ PHE A 45 -14.738 -2.416 6.529 1.00 0.00 H new ATOM 676 N PRO A 46 -10.311 -9.020 9.705 1.00 0.00 N ATOM 677 CA PRO A 46 -9.171 -9.885 10.024 1.00 0.00 C ATOM 678 C PRO A 46 -8.741 -10.738 8.835 1.00 0.00 C ATOM 679 O PRO A 46 -7.550 -10.873 8.555 1.00 0.00 O ATOM 680 CB PRO A 46 -9.704 -10.771 11.153 1.00 0.00 C ATOM 681 CG PRO A 46 -11.180 -10.791 10.954 1.00 0.00 C ATOM 682 CD PRO A 46 -11.541 -9.444 10.394 1.00 0.00 C ATOM 0 HA PRO A 46 -8.286 -9.310 10.296 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.284 -11.775 11.100 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.442 -10.367 12.131 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.471 -11.588 10.270 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.698 -10.974 11.895 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.385 -9.508 9.707 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.822 -8.744 11.181 1.00 0.00 H new ATOM 690 N ASP A 47 -9.717 -11.312 8.140 1.00 0.00 N ATOM 691 CA ASP A 47 -9.439 -12.151 6.981 1.00 0.00 C ATOM 692 C ASP A 47 -9.043 -11.301 5.777 1.00 0.00 C ATOM 693 O ASP A 47 -9.868 -10.577 5.219 1.00 0.00 O ATOM 694 CB ASP A 47 -10.660 -13.005 6.638 1.00 0.00 C ATOM 695 CG ASP A 47 -11.254 -13.682 7.858 1.00 0.00 C ATOM 696 OD1 ASP A 47 -10.619 -14.620 8.383 1.00 0.00 O ATOM 697 OD2 ASP A 47 -12.354 -13.274 8.286 1.00 0.00 O ATOM 0 H ASP A 47 -10.708 -11.211 8.360 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.605 -12.807 7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.418 -12.378 6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.376 -13.763 5.908 1.00 0.00 H new ATOM 702 N TRP A 48 -7.778 -11.394 5.384 1.00 0.00 N ATOM 703 CA TRP A 48 -7.273 -10.632 4.247 1.00 0.00 C ATOM 704 C TRP A 48 -8.255 -10.680 3.081 1.00 0.00 C ATOM 705 O TRP A 48 -8.754 -9.647 2.634 1.00 0.00 O ATOM 706 CB TRP A 48 -5.913 -11.175 3.807 1.00 0.00 C ATOM 707 CG TRP A 48 -5.381 -10.514 2.571 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.082 -11.118 1.383 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.084 -9.124 2.403 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.617 -10.186 0.487 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.609 -8.955 1.088 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.175 -8.005 3.235 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.226 -7.713 0.588 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -4.794 -6.773 2.738 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.325 -6.635 1.425 1.00 0.00 C ATOM 0 H TRP A 48 -7.083 -11.989 5.835 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.158 -9.594 4.559 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.197 -11.042 4.618 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.998 -12.247 3.629 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.194 -12.172 1.178 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.325 -10.379 -0.471 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.537 -8.101 4.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.864 -7.605 -0.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.859 -5.902 3.373 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.036 -5.658 1.066 1.00 0.00 H new ATOM 726 N THR A 49 -8.528 -11.885 2.591 1.00 0.00 N ATOM 727 CA THR A 49 -9.449 -12.067 1.477 1.00 0.00 C ATOM 728 C THR A 49 -10.662 -11.154 1.612 1.00 0.00 C ATOM 729 O THR A 49 -11.290 -10.786 0.618 1.00 0.00 O ATOM 730 CB THR A 49 -9.927 -13.527 1.375 1.00 0.00 C ATOM 731 OG1 THR A 49 -8.853 -14.418 1.696 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.445 -13.831 -0.022 1.00 0.00 C ATOM 0 H THR A 49 -8.124 -12.750 2.949 1.00 0.00 H new ATOM 0 HA THR A 49 -8.903 -11.808 0.570 1.00 0.00 H new ATOM 0 HB THR A 49 -10.741 -13.670 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.166 -15.344 1.630 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.777 -14.868 -0.069 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.282 -13.171 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.648 -13.672 -0.748 1.00 0.00 H new ATOM 740 N THR A 50 -10.989 -10.791 2.848 1.00 0.00 N ATOM 741 CA THR A 50 -12.128 -9.921 3.114 1.00 0.00 C ATOM 742 C THR A 50 -11.693 -8.465 3.231 1.00 0.00 C ATOM 743 O THR A 50 -12.387 -7.561 2.766 1.00 0.00 O ATOM 744 CB THR A 50 -12.859 -10.332 4.406 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.238 -11.712 4.337 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.095 -9.472 4.625 1.00 0.00 C ATOM 0 H THR A 50 -10.481 -11.086 3.682 1.00 0.00 H new ATOM 0 HA THR A 50 -12.810 -10.027 2.270 1.00 0.00 H new ATOM 0 HB THR A 50 -12.179 -10.184 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.701 -11.966 5.163 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.595 -9.781 5.543 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.801 -8.426 4.706 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.776 -9.593 3.783 1.00 0.00 H new ATOM 754 N ARG A 51 -10.539 -8.245 3.854 1.00 0.00 N ATOM 755 CA ARG A 51 -10.012 -6.898 4.032 1.00 0.00 C ATOM 756 C ARG A 51 -9.648 -6.275 2.687 1.00 0.00 C ATOM 757 O ARG A 51 -10.096 -5.176 2.358 1.00 0.00 O ATOM 758 CB ARG A 51 -8.784 -6.924 4.944 1.00 0.00 C ATOM 759 CG ARG A 51 -8.163 -5.555 5.169 1.00 0.00 C ATOM 760 CD ARG A 51 -7.282 -5.540 6.408 1.00 0.00 C ATOM 761 NE ARG A 51 -6.376 -6.685 6.449 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.250 -6.706 7.154 1.00 0.00 C ATOM 763 NH1 ARG A 51 -4.896 -5.651 7.875 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.478 -7.785 7.141 1.00 0.00 N ATOM 0 H ARG A 51 -9.952 -8.983 4.244 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.788 -6.289 4.497 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.067 -7.348 5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.035 -7.587 4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.572 -5.275 4.297 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.951 -4.809 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.702 -4.618 6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.910 -5.542 7.299 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.621 -7.514 5.907 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.489 -4.821 7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.031 -5.670 8.415 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.749 -8.599 6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.614 -7.800 7.682 1.00 0.00 H new ATOM 778 N VAL A 52 -8.831 -6.984 1.914 1.00 0.00 N ATOM 779 CA VAL A 52 -8.406 -6.501 0.606 1.00 0.00 C ATOM 780 C VAL A 52 -9.589 -5.964 -0.192 1.00 0.00 C ATOM 781 O VAL A 52 -9.508 -4.898 -0.803 1.00 0.00 O ATOM 782 CB VAL A 52 -7.716 -7.613 -0.206 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.678 -8.763 -0.463 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.173 -7.059 -1.514 1.00 0.00 C ATOM 0 H VAL A 52 -8.451 -7.895 2.171 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.694 -5.695 0.782 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.877 -7.996 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.172 -9.539 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.013 -9.177 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.539 -8.399 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.689 -7.859 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.993 -6.648 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.448 -6.273 -1.303 1.00 0.00 H new ATOM 794 N LYS A 53 -10.689 -6.709 -0.183 1.00 0.00 N ATOM 795 CA LYS A 53 -11.891 -6.309 -0.904 1.00 0.00 C ATOM 796 C LYS A 53 -12.347 -4.919 -0.472 1.00 0.00 C ATOM 797 O LYS A 53 -12.758 -4.106 -1.300 1.00 0.00 O ATOM 798 CB LYS A 53 -13.014 -7.322 -0.668 1.00 0.00 C ATOM 799 CG LYS A 53 -12.710 -8.705 -1.217 1.00 0.00 C ATOM 800 CD LYS A 53 -13.679 -9.744 -0.678 1.00 0.00 C ATOM 801 CE LYS A 53 -13.749 -10.964 -1.584 1.00 0.00 C ATOM 802 NZ LYS A 53 -14.366 -10.641 -2.901 1.00 0.00 N ATOM 0 H LYS A 53 -10.773 -7.594 0.317 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.654 -6.281 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.204 -7.399 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.930 -6.951 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.764 -8.685 -2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.690 -8.986 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.368 -10.049 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.671 -9.303 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.745 -11.359 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.327 -11.748 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.751 -11.509 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.133 -9.952 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.645 -10.236 -3.532 1.00 0.00 H new ATOM 816 N GLN A 54 -12.270 -4.653 0.828 1.00 0.00 N ATOM 817 CA GLN A 54 -12.675 -3.361 1.368 1.00 0.00 C ATOM 818 C GLN A 54 -11.803 -2.241 0.811 1.00 0.00 C ATOM 819 O GLN A 54 -12.298 -1.321 0.160 1.00 0.00 O ATOM 820 CB GLN A 54 -12.594 -3.375 2.896 1.00 0.00 C ATOM 821 CG GLN A 54 -13.620 -4.285 3.551 1.00 0.00 C ATOM 822 CD GLN A 54 -15.014 -3.690 3.550 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.969 -4.316 3.091 1.00 0.00 O ATOM 824 NE2 GLN A 54 -15.138 -2.473 4.067 1.00 0.00 N ATOM 0 H GLN A 54 -11.931 -5.315 1.526 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.707 -3.177 1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.595 -3.692 3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.731 -2.360 3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.637 -5.242 3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.317 -4.488 4.578 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.319 -1.990 4.437 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.052 -2.021 4.094 1.00 0.00 H new ATOM 833 N ILE A 55 -10.503 -2.325 1.072 1.00 0.00 N ATOM 834 CA ILE A 55 -9.562 -1.318 0.596 1.00 0.00 C ATOM 835 C ILE A 55 -9.916 -0.858 -0.814 1.00 0.00 C ATOM 836 O ILE A 55 -9.690 0.296 -1.177 1.00 0.00 O ATOM 837 CB ILE A 55 -8.117 -1.851 0.602 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.700 -2.242 2.022 1.00 0.00 C ATOM 839 CG2 ILE A 55 -7.166 -0.808 0.034 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.461 -3.108 2.071 1.00 0.00 C ATOM 0 H ILE A 55 -10.077 -3.080 1.610 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.632 -0.472 1.280 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.070 -2.739 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.524 -1.336 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.523 -2.772 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.149 -1.199 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.454 -0.573 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.213 0.096 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.224 -3.346 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.640 -4.030 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.625 -2.572 1.622 1.00 0.00 H new ATOM 852 N ALA A 56 -10.474 -1.769 -1.605 1.00 0.00 N ATOM 853 CA ALA A 56 -10.864 -1.456 -2.974 1.00 0.00 C ATOM 854 C ALA A 56 -11.988 -0.426 -3.004 1.00 0.00 C ATOM 855 O ALA A 56 -11.858 0.634 -3.616 1.00 0.00 O ATOM 856 CB ALA A 56 -11.285 -2.722 -3.706 1.00 0.00 C ATOM 0 H ALA A 56 -10.666 -2.730 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.000 -1.026 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.574 -2.473 -4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.452 -3.425 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.131 -3.176 -3.190 1.00 0.00 H new ATOM 862 N LYS A 57 -13.093 -0.745 -2.338 1.00 0.00 N ATOM 863 CA LYS A 57 -14.241 0.153 -2.286 1.00 0.00 C ATOM 864 C LYS A 57 -13.863 1.483 -1.643 1.00 0.00 C ATOM 865 O LYS A 57 -14.170 2.551 -2.175 1.00 0.00 O ATOM 866 CB LYS A 57 -15.387 -0.496 -1.506 1.00 0.00 C ATOM 867 CG LYS A 57 -15.361 -0.187 -0.019 1.00 0.00 C ATOM 868 CD LYS A 57 -16.615 -0.691 0.676 1.00 0.00 C ATOM 869 CE LYS A 57 -16.460 -2.137 1.125 1.00 0.00 C ATOM 870 NZ LYS A 57 -16.767 -3.094 0.026 1.00 0.00 N ATOM 0 H LYS A 57 -13.218 -1.619 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.568 0.344 -3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.336 -0.158 -1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.344 -1.576 -1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.483 -0.647 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.269 0.889 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.832 -0.062 1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.466 -0.608 -0.000 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.441 -2.301 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.123 -2.328 1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.177 -3.962 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.446 -2.661 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.892 -3.328 -0.485 1.00 0.00 H new ATOM 884 N LEU A 58 -13.195 1.413 -0.497 1.00 0.00 N ATOM 885 CA LEU A 58 -12.774 2.612 0.218 1.00 0.00 C ATOM 886 C LEU A 58 -11.902 3.496 -0.668 1.00 0.00 C ATOM 887 O LEU A 58 -11.965 4.723 -0.591 1.00 0.00 O ATOM 888 CB LEU A 58 -12.010 2.231 1.487 1.00 0.00 C ATOM 889 CG LEU A 58 -12.699 1.224 2.408 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.724 0.702 3.453 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.912 1.855 3.076 1.00 0.00 C ATOM 0 H LEU A 58 -12.933 0.538 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.667 3.173 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.042 1.824 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.815 3.140 2.056 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.038 0.382 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.232 -0.013 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.887 0.212 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.354 1.534 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.390 1.124 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.596 2.715 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.620 2.179 2.313 1.00 0.00 H new ATOM 903 N TRP A 59 -11.091 2.865 -1.509 1.00 0.00 N ATOM 904 CA TRP A 59 -10.208 3.595 -2.412 1.00 0.00 C ATOM 905 C TRP A 59 -10.994 4.209 -3.564 1.00 0.00 C ATOM 906 O TRP A 59 -10.804 5.377 -3.905 1.00 0.00 O ATOM 907 CB TRP A 59 -9.122 2.666 -2.957 1.00 0.00 C ATOM 908 CG TRP A 59 -8.223 3.326 -3.958 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.217 3.129 -5.310 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.198 4.289 -3.687 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.250 3.911 -5.895 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.612 4.632 -4.921 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.721 4.895 -2.522 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.573 5.554 -5.020 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.689 5.809 -2.622 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.125 6.132 -3.864 1.00 0.00 C ATOM 0 H TRP A 59 -11.026 1.850 -1.585 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.738 4.401 -1.848 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.520 2.296 -2.127 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.594 1.799 -3.419 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.875 2.457 -5.841 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.041 3.948 -6.893 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.151 4.654 -1.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.136 5.804 -5.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.311 6.282 -1.728 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.321 6.851 -3.909 1.00 0.00 H new ATOM 927 N ARG A 60 -11.878 3.416 -4.161 1.00 0.00 N ATOM 928 CA ARG A 60 -12.692 3.883 -5.277 1.00 0.00 C ATOM 929 C ARG A 60 -13.550 5.075 -4.862 1.00 0.00 C ATOM 930 O ARG A 60 -13.715 6.029 -5.622 1.00 0.00 O ATOM 931 CB ARG A 60 -13.585 2.753 -5.792 1.00 0.00 C ATOM 932 CG ARG A 60 -12.817 1.629 -6.468 1.00 0.00 C ATOM 933 CD ARG A 60 -13.697 0.857 -7.438 1.00 0.00 C ATOM 934 NE ARG A 60 -13.870 1.565 -8.704 1.00 0.00 N ATOM 935 CZ ARG A 60 -14.275 0.979 -9.825 1.00 0.00 C ATOM 936 NH1 ARG A 60 -14.549 -0.318 -9.837 1.00 0.00 N ATOM 937 NH2 ARG A 60 -14.408 1.691 -10.936 1.00 0.00 N ATOM 0 H ARG A 60 -12.049 2.447 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.022 4.200 -6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.154 2.342 -4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.306 3.165 -6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.961 2.042 -7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.424 0.949 -5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.256 -0.121 -7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.672 0.684 -6.983 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.669 2.565 -8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.449 -0.868 -8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.860 -0.766 -10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.199 2.689 -10.930 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.719 1.240 -11.796 1.00 0.00 H new ATOM 951 N LYS A 61 -14.095 5.012 -3.652 1.00 0.00 N ATOM 952 CA LYS A 61 -14.935 6.085 -3.134 1.00 0.00 C ATOM 953 C LYS A 61 -14.206 7.424 -3.192 1.00 0.00 C ATOM 954 O LYS A 61 -14.785 8.441 -3.571 1.00 0.00 O ATOM 955 CB LYS A 61 -15.355 5.783 -1.694 1.00 0.00 C ATOM 956 CG LYS A 61 -16.478 4.765 -1.589 1.00 0.00 C ATOM 957 CD LYS A 61 -17.087 4.748 -0.197 1.00 0.00 C ATOM 958 CE LYS A 61 -16.184 4.034 0.798 1.00 0.00 C ATOM 959 NZ LYS A 61 -16.883 3.761 2.084 1.00 0.00 N ATOM 0 H LYS A 61 -13.970 4.228 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.825 6.149 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -14.490 5.416 -1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.670 6.710 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.250 4.997 -2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.096 3.774 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.262 5.771 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.058 4.253 -0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.838 3.095 0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.300 4.642 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.180 3.596 2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.474 4.578 2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.484 2.918 1.981 1.00 0.00 H new ATOM 973 N ALA A 62 -12.932 7.415 -2.815 1.00 0.00 N ATOM 974 CA ALA A 62 -12.123 8.627 -2.827 1.00 0.00 C ATOM 975 C ALA A 62 -11.976 9.175 -4.243 1.00 0.00 C ATOM 976 O ALA A 62 -11.774 8.419 -5.193 1.00 0.00 O ATOM 977 CB ALA A 62 -10.755 8.355 -2.220 1.00 0.00 C ATOM 0 H ALA A 62 -12.438 6.581 -2.497 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.632 9.380 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.162 9.269 -2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.874 8.017 -1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.247 7.583 -2.798 1.00 0.00 H new ATOM 983 N SER A 63 -12.080 10.493 -4.376 1.00 0.00 N ATOM 984 CA SER A 63 -11.963 11.141 -5.677 1.00 0.00 C ATOM 985 C SER A 63 -10.500 11.294 -6.079 1.00 0.00 C ATOM 986 O SER A 63 -9.609 11.301 -5.229 1.00 0.00 O ATOM 987 CB SER A 63 -12.642 12.512 -5.650 1.00 0.00 C ATOM 988 OG SER A 63 -14.042 12.392 -5.837 1.00 0.00 O ATOM 0 H SER A 63 -12.245 11.133 -3.599 1.00 0.00 H new ATOM 0 HA SER A 63 -12.460 10.511 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.440 13.003 -4.698 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.221 13.145 -6.431 1.00 0.00 H new ATOM 0 HG SER A 63 -14.453 13.282 -5.814 1.00 0.00 H new ATOM 994 N SER A 64 -10.259 11.416 -7.380 1.00 0.00 N ATOM 995 CA SER A 64 -8.903 11.564 -7.896 1.00 0.00 C ATOM 996 C SER A 64 -8.134 12.619 -7.107 1.00 0.00 C ATOM 997 O SER A 64 -6.994 12.396 -6.701 1.00 0.00 O ATOM 998 CB SER A 64 -8.938 11.944 -9.378 1.00 0.00 C ATOM 999 OG SER A 64 -9.907 11.182 -10.077 1.00 0.00 O ATOM 0 H SER A 64 -10.985 11.415 -8.096 1.00 0.00 H new ATOM 0 HA SER A 64 -8.392 10.608 -7.785 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.163 13.006 -9.479 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.955 11.783 -9.821 1.00 0.00 H new ATOM 0 HG SER A 64 -9.911 11.445 -11.021 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.767 13.769 -6.896 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.142 14.859 -6.156 1.00 0.00 C ATOM 1007 C GLN A 65 -7.746 14.409 -4.754 1.00 0.00 C ATOM 1008 O GLN A 65 -6.838 14.974 -4.145 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.092 16.055 -6.071 1.00 0.00 C ATOM 1010 CG GLN A 65 -9.190 16.848 -7.364 1.00 0.00 C ATOM 1011 CD GLN A 65 -9.472 15.969 -8.567 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -8.555 15.553 -9.276 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -10.746 15.680 -8.804 1.00 0.00 N ATOM 0 H GLN A 65 -9.711 13.970 -7.227 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.240 15.157 -6.690 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.085 15.700 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.758 16.718 -5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.980 17.593 -7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.258 17.390 -7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.475 16.046 -8.191 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.996 15.092 -9.599 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.432 13.389 -4.249 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.151 12.864 -2.917 1.00 0.00 C ATOM 1024 C GLU A 66 -6.972 11.896 -2.952 1.00 0.00 C ATOM 1025 O GLU A 66 -6.154 11.865 -2.032 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.387 12.161 -2.351 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.191 11.627 -0.942 1.00 0.00 C ATOM 1028 CD GLU A 66 -8.723 12.696 0.027 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -7.591 13.196 -0.143 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -9.487 13.032 0.955 1.00 0.00 O ATOM 0 H GLU A 66 -9.186 12.910 -4.741 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.891 13.702 -2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.224 12.859 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.658 11.335 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.129 11.203 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.463 10.816 -0.963 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.893 11.107 -4.018 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.816 10.137 -4.172 1.00 0.00 C ATOM 1039 C ARG A 67 -4.538 10.815 -4.656 1.00 0.00 C ATOM 1040 O ARG A 67 -3.451 10.245 -4.572 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.227 9.039 -5.155 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.664 8.573 -4.982 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.220 7.993 -6.273 1.00 0.00 C ATOM 1044 NE ARG A 67 -9.485 7.295 -6.059 1.00 0.00 N ATOM 1045 CZ ARG A 67 -10.301 6.933 -7.043 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -9.985 7.201 -8.303 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -11.434 6.301 -6.768 1.00 0.00 N ATOM 0 H ARG A 67 -7.562 11.120 -4.788 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.622 9.689 -3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.093 9.405 -6.173 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.560 8.186 -5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.712 7.822 -4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.283 9.411 -4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.366 8.794 -6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.494 7.303 -6.703 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.757 7.073 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.114 7.686 -8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.613 6.922 -9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.680 6.092 -5.800 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.060 6.024 -7.524 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.678 12.035 -5.164 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.535 12.792 -5.660 1.00 0.00 C ATOM 1063 C ALA A 68 -2.293 12.528 -4.815 1.00 0.00 C ATOM 1064 O ALA A 68 -1.261 12.074 -5.310 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.855 14.279 -5.681 1.00 0.00 C ATOM 0 H ALA A 68 -5.572 12.520 -5.243 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.327 12.462 -6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.992 14.832 -6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.710 14.458 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.092 14.614 -4.671 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.392 12.818 -3.510 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.286 12.620 -2.569 1.00 0.00 C ATOM 1073 C PRO A 69 -0.995 11.144 -2.319 1.00 0.00 C ATOM 1074 O PRO A 69 0.148 10.699 -2.428 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.785 13.291 -1.287 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.271 13.241 -1.387 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.592 13.362 -2.851 1.00 0.00 C ATOM 0 HA PRO A 69 -0.351 13.034 -2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.430 12.765 -0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.428 14.318 -1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.658 12.308 -0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.728 14.051 -0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.486 12.797 -3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.773 14.398 -3.138 1.00 0.00 H new ATOM 1085 N TYR A 70 -2.035 10.390 -1.983 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.891 8.964 -1.715 1.00 0.00 C ATOM 1087 C TYR A 70 -1.335 8.234 -2.934 1.00 0.00 C ATOM 1088 O TYR A 70 -0.860 7.103 -2.832 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.238 8.360 -1.315 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.869 9.029 -0.115 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.333 8.868 1.157 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -5.003 9.820 -0.252 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.906 9.477 2.256 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.582 10.434 0.841 1.00 0.00 C ATOM 1095 CZ TYR A 70 -5.031 10.259 2.093 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.606 10.868 3.185 1.00 0.00 O ATOM 0 H TYR A 70 -2.988 10.742 -1.890 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.188 8.844 -0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.923 8.428 -2.160 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.102 7.300 -1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.453 8.256 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.439 9.957 -1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.476 9.342 3.237 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.462 11.048 0.716 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.389 11.383 2.898 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.398 8.891 -4.088 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.900 8.307 -5.328 1.00 0.00 C ATOM 1108 C VAL A 71 0.594 8.562 -5.494 1.00 0.00 C ATOM 1109 O VAL A 71 1.333 7.693 -5.955 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.645 8.871 -6.552 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.023 8.355 -7.841 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.123 8.517 -6.486 1.00 0.00 C ATOM 0 H VAL A 71 -1.789 9.828 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.078 7.233 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.554 9.957 -6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.563 8.764 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.021 8.664 -7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.081 7.267 -7.863 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.634 8.924 -7.359 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.237 7.433 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.558 8.940 -5.581 1.00 0.00 H new ATOM 1122 N GLN A 72 1.030 9.759 -5.115 1.00 0.00 N ATOM 1123 CA GLN A 72 2.437 10.128 -5.223 1.00 0.00 C ATOM 1124 C GLN A 72 3.245 9.534 -4.074 1.00 0.00 C ATOM 1125 O GLN A 72 4.310 8.954 -4.284 1.00 0.00 O ATOM 1126 CB GLN A 72 2.587 11.650 -5.235 1.00 0.00 C ATOM 1127 CG GLN A 72 3.989 12.126 -4.890 1.00 0.00 C ATOM 1128 CD GLN A 72 5.001 11.789 -5.968 1.00 0.00 C ATOM 1129 OE1 GLN A 72 5.021 12.408 -7.032 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.848 10.802 -5.697 1.00 0.00 N ATOM 0 H GLN A 72 0.430 10.489 -4.731 1.00 0.00 H new ATOM 0 HA GLN A 72 2.822 9.725 -6.160 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.317 12.026 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.881 12.082 -4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.975 13.205 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.301 11.673 -3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.795 10.316 -4.802 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.551 10.530 -6.384 1.00 0.00 H new ATOM 1139 N LYS A 73 2.731 9.683 -2.858 1.00 0.00 N ATOM 1140 CA LYS A 73 3.404 9.162 -1.674 1.00 0.00 C ATOM 1141 C LYS A 73 3.825 7.710 -1.882 1.00 0.00 C ATOM 1142 O LYS A 73 4.982 7.352 -1.663 1.00 0.00 O ATOM 1143 CB LYS A 73 2.487 9.267 -0.453 1.00 0.00 C ATOM 1144 CG LYS A 73 3.202 9.037 0.867 1.00 0.00 C ATOM 1145 CD LYS A 73 2.421 9.617 2.034 1.00 0.00 C ATOM 1146 CE LYS A 73 2.768 8.918 3.339 1.00 0.00 C ATOM 1147 NZ LYS A 73 2.316 9.700 4.524 1.00 0.00 N ATOM 0 H LYS A 73 1.850 10.160 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 73 4.298 9.761 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.026 10.255 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.681 8.540 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.348 7.968 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.192 9.491 0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.635 10.682 2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.352 9.521 1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.305 7.931 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.846 8.765 3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.571 9.190 5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.777 10.632 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.284 9.824 4.485 1.00 0.00 H new ATOM 1161 N ALA A 74 2.879 6.880 -2.308 1.00 0.00 N ATOM 1162 CA ALA A 74 3.153 5.469 -2.549 1.00 0.00 C ATOM 1163 C ALA A 74 4.405 5.291 -3.402 1.00 0.00 C ATOM 1164 O ALA A 74 5.195 4.374 -3.177 1.00 0.00 O ATOM 1165 CB ALA A 74 1.958 4.806 -3.218 1.00 0.00 C ATOM 0 H ALA A 74 1.916 7.160 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 74 3.329 4.989 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.177 3.752 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.085 4.893 -2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.756 5.297 -4.170 1.00 0.00 H new ATOM 1171 N ARG A 75 4.578 6.173 -4.381 1.00 0.00 N ATOM 1172 CA ARG A 75 5.734 6.111 -5.268 1.00 0.00 C ATOM 1173 C ARG A 75 7.011 6.493 -4.525 1.00 0.00 C ATOM 1174 O ARG A 75 8.039 5.829 -4.657 1.00 0.00 O ATOM 1175 CB ARG A 75 5.532 7.039 -6.468 1.00 0.00 C ATOM 1176 CG ARG A 75 4.437 6.579 -7.416 1.00 0.00 C ATOM 1177 CD ARG A 75 3.991 7.702 -8.340 1.00 0.00 C ATOM 1178 NE ARG A 75 2.846 7.316 -9.158 1.00 0.00 N ATOM 1179 CZ ARG A 75 2.351 8.071 -10.133 1.00 0.00 C ATOM 1180 NH1 ARG A 75 2.899 9.246 -10.409 1.00 0.00 N ATOM 1181 NH2 ARG A 75 1.306 7.650 -10.834 1.00 0.00 N ATOM 0 H ARG A 75 3.933 6.938 -4.580 1.00 0.00 H new ATOM 0 HA ARG A 75 5.834 5.085 -5.623 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.292 8.039 -6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.469 7.116 -7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.798 5.739 -8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.584 6.219 -6.841 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.733 8.579 -7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.819 7.988 -8.988 1.00 0.00 H new ATOM 0 HE ARG A 75 2.401 6.417 -8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.703 9.573 -9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.517 9.824 -11.158 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.882 6.746 -10.625 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.927 8.230 -11.582 1.00 0.00 H new ATOM 1195 N ASP A 76 6.937 7.566 -3.746 1.00 0.00 N ATOM 1196 CA ASP A 76 8.087 8.036 -2.982 1.00 0.00 C ATOM 1197 C ASP A 76 8.533 6.986 -1.970 1.00 0.00 C ATOM 1198 O ASP A 76 9.726 6.811 -1.727 1.00 0.00 O ATOM 1199 CB ASP A 76 7.748 9.344 -2.263 1.00 0.00 C ATOM 1200 CG ASP A 76 8.971 10.209 -2.028 1.00 0.00 C ATOM 1201 OD1 ASP A 76 9.952 9.704 -1.442 1.00 0.00 O ATOM 1202 OD2 ASP A 76 8.948 11.390 -2.432 1.00 0.00 O ATOM 0 H ASP A 76 6.093 8.127 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 76 8.907 8.214 -3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.020 9.901 -2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.277 9.118 -1.306 1.00 0.00 H new ATOM 1207 N ASN A 77 7.565 6.290 -1.381 1.00 0.00 N ATOM 1208 CA ASN A 77 7.858 5.258 -0.393 1.00 0.00 C ATOM 1209 C ASN A 77 8.813 4.214 -0.965 1.00 0.00 C ATOM 1210 O ASN A 77 9.690 3.710 -0.263 1.00 0.00 O ATOM 1211 CB ASN A 77 6.565 4.584 0.070 1.00 0.00 C ATOM 1212 CG ASN A 77 5.955 5.271 1.276 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.665 5.827 2.113 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.631 5.235 1.369 1.00 0.00 N ATOM 0 H ASN A 77 6.572 6.422 -1.571 1.00 0.00 H new ATOM 0 HA ASN A 77 8.338 5.734 0.462 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.845 4.585 -0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.769 3.541 0.314 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.163 5.680 2.158 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.082 4.762 0.651 1.00 0.00 H new ATOM 1221 N ARG A 78 8.636 3.894 -2.243 1.00 0.00 N ATOM 1222 CA ARG A 78 9.481 2.910 -2.909 1.00 0.00 C ATOM 1223 C ARG A 78 10.945 3.338 -2.874 1.00 0.00 C ATOM 1224 O ARG A 78 11.838 2.515 -2.676 1.00 0.00 O ATOM 1225 CB ARG A 78 9.029 2.716 -4.357 1.00 0.00 C ATOM 1226 CG ARG A 78 7.707 1.978 -4.490 1.00 0.00 C ATOM 1227 CD ARG A 78 7.447 1.554 -5.927 1.00 0.00 C ATOM 1228 NE ARG A 78 8.397 0.542 -6.380 1.00 0.00 N ATOM 1229 CZ ARG A 78 8.179 -0.258 -7.418 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.050 -0.164 -8.106 1.00 0.00 N ATOM 1231 NH2 ARG A 78 9.092 -1.155 -7.769 1.00 0.00 N ATOM 0 H ARG A 78 7.915 4.302 -2.838 1.00 0.00 H new ATOM 0 HA ARG A 78 9.385 1.964 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.940 3.692 -4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.799 2.165 -4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.714 1.099 -3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.895 2.619 -4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.433 1.163 -6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.508 2.426 -6.579 1.00 0.00 H new ATOM 0 HE ARG A 78 9.276 0.444 -5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.346 0.524 -7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.885 -0.780 -8.903 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.962 -1.231 -7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.924 -1.769 -8.566 1.00 0.00 H new ATOM 1245 N ALA A 79 11.183 4.631 -3.068 1.00 0.00 N ATOM 1246 CA ALA A 79 12.538 5.169 -3.057 1.00 0.00 C ATOM 1247 C ALA A 79 13.219 4.914 -1.717 1.00 0.00 C ATOM 1248 O ALA A 79 14.344 4.419 -1.666 1.00 0.00 O ATOM 1249 CB ALA A 79 12.517 6.658 -3.366 1.00 0.00 C ATOM 0 H ALA A 79 10.455 5.326 -3.235 1.00 0.00 H new ATOM 0 HA ALA A 79 13.112 4.657 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.535 7.046 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.078 6.819 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.922 7.177 -2.615 1.00 0.00 H new ATOM 1255 N ALA A 80 12.529 5.255 -0.633 1.00 0.00 N ATOM 1256 CA ALA A 80 13.068 5.062 0.708 1.00 0.00 C ATOM 1257 C ALA A 80 13.767 3.712 0.829 1.00 0.00 C ATOM 1258 O ALA A 80 14.874 3.621 1.361 1.00 0.00 O ATOM 1259 CB ALA A 80 11.959 5.180 1.743 1.00 0.00 C ATOM 0 H ALA A 80 11.596 5.666 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 80 13.807 5.842 0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.375 5.034 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.506 6.170 1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.200 4.421 1.551 1.00 0.00 H new