USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=12 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 33 TYR OH : rot 108:sc= 0.224 USER MOD Set 1.2: A 37 ASN : amide:sc= -0.945 X(o=-0.72,f=-0.61) USER MOD Set 1.3: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc=-0.00535 (180deg=-0.122) USER MOD Single : A 25 MET CE :methyl -155:sc= -0.29 (180deg=-1.23) USER MOD Single : A 27 THR OG1 : rot -111:sc= 0.831 USER MOD Single : A 34 THR OG1 : rot 150:sc= 0.00155 USER MOD Single : A 35 ASN : amide:sc= -5.96! C(o=-6!,f=-5.5!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0727) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0507 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -6.94! C(o=-8.6!,f=-6.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0287 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 65 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.69) USER MOD Single : A 72 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.094) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.889 K(o=0.89,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 197 N TRP A 16 -0.085 -6.299 -1.781 1.00 0.00 N ATOM 198 CA TRP A 16 -0.888 -5.494 -0.868 1.00 0.00 C ATOM 199 C TRP A 16 -0.720 -5.972 0.570 1.00 0.00 C ATOM 200 O TRP A 16 -0.578 -5.165 1.488 1.00 0.00 O ATOM 201 CB TRP A 16 -2.363 -5.552 -1.268 1.00 0.00 C ATOM 202 CG TRP A 16 -2.702 -4.655 -2.421 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.874 -4.286 -3.442 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.958 -4.013 -2.667 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.540 -3.453 -4.309 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.820 -3.271 -3.857 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.186 -3.995 -2.001 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.863 -2.520 -4.390 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.220 -3.248 -2.531 1.00 0.00 C ATOM 210 CH2 TRP A 16 -6.055 -2.520 -3.716 1.00 0.00 C ATOM 0 HA TRP A 16 -0.541 -4.463 -0.931 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.622 -6.579 -1.527 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.976 -5.276 -0.410 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.847 -4.602 -3.552 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.145 -3.038 -5.153 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.324 -4.555 -1.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.737 -1.957 -5.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.173 -3.225 -2.023 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.884 -1.948 -4.106 1.00 0.00 H new ATOM 221 N GLU A 17 -0.738 -7.288 0.758 1.00 0.00 N ATOM 222 CA GLU A 17 -0.587 -7.871 2.086 1.00 0.00 C ATOM 223 C GLU A 17 0.752 -7.480 2.704 1.00 0.00 C ATOM 224 O GLU A 17 0.877 -7.367 3.923 1.00 0.00 O ATOM 225 CB GLU A 17 -0.703 -9.396 2.014 1.00 0.00 C ATOM 226 CG GLU A 17 -0.396 -10.092 3.329 1.00 0.00 C ATOM 227 CD GLU A 17 -0.445 -11.603 3.214 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.321 -12.114 2.485 1.00 0.00 O ATOM 229 OE2 GLU A 17 0.392 -12.275 3.853 1.00 0.00 O ATOM 0 H GLU A 17 -0.855 -7.970 0.008 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.386 -7.482 2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.712 -9.661 1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.023 -9.768 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.593 -9.789 3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.111 -9.765 4.084 1.00 0.00 H new ATOM 236 N LYS A 18 1.752 -7.275 1.853 1.00 0.00 N ATOM 237 CA LYS A 18 3.082 -6.896 2.313 1.00 0.00 C ATOM 238 C LYS A 18 3.127 -5.419 2.691 1.00 0.00 C ATOM 239 O LYS A 18 3.584 -5.061 3.775 1.00 0.00 O ATOM 240 CB LYS A 18 4.121 -7.187 1.227 1.00 0.00 C ATOM 241 CG LYS A 18 4.458 -8.661 1.087 1.00 0.00 C ATOM 242 CD LYS A 18 5.307 -9.153 2.248 1.00 0.00 C ATOM 243 CE LYS A 18 6.790 -8.954 1.976 1.00 0.00 C ATOM 244 NZ LYS A 18 7.302 -9.919 0.964 1.00 0.00 N ATOM 0 H LYS A 18 1.666 -7.365 0.841 1.00 0.00 H new ATOM 0 HA LYS A 18 3.315 -7.487 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.750 -6.816 0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.033 -6.634 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.537 -9.242 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.991 -8.826 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.028 -8.619 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.107 -10.210 2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.962 -7.936 1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.349 -9.071 2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.340 -9.954 1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.914 -10.864 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.009 -9.614 0.014 1.00 0.00 H new ATOM 258 N GLU A 19 2.648 -4.567 1.790 1.00 0.00 N ATOM 259 CA GLU A 19 2.633 -3.129 2.031 1.00 0.00 C ATOM 260 C GLU A 19 1.742 -2.786 3.221 1.00 0.00 C ATOM 261 O GLU A 19 1.967 -1.792 3.911 1.00 0.00 O ATOM 262 CB GLU A 19 2.148 -2.385 0.785 1.00 0.00 C ATOM 263 CG GLU A 19 2.903 -2.759 -0.480 1.00 0.00 C ATOM 264 CD GLU A 19 4.343 -3.148 -0.206 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.158 -2.246 0.076 1.00 0.00 O ATOM 266 OE2 GLU A 19 4.654 -4.356 -0.275 1.00 0.00 O ATOM 0 H GLU A 19 2.265 -4.848 0.887 1.00 0.00 H new ATOM 0 HA GLU A 19 3.651 -2.814 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.088 -2.591 0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.245 -1.312 0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.394 -3.588 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.883 -1.918 -1.173 1.00 0.00 H new ATOM 273 N GLU A 20 0.729 -3.615 3.452 1.00 0.00 N ATOM 274 CA GLU A 20 -0.198 -3.398 4.557 1.00 0.00 C ATOM 275 C GLU A 20 0.548 -3.333 5.887 1.00 0.00 C ATOM 276 O GLU A 20 0.115 -2.658 6.821 1.00 0.00 O ATOM 277 CB GLU A 20 -1.244 -4.514 4.601 1.00 0.00 C ATOM 278 CG GLU A 20 -2.494 -4.207 3.793 1.00 0.00 C ATOM 279 CD GLU A 20 -3.518 -3.413 4.581 1.00 0.00 C ATOM 280 OE1 GLU A 20 -3.698 -3.705 5.782 1.00 0.00 O ATOM 281 OE2 GLU A 20 -4.138 -2.499 3.998 1.00 0.00 O ATOM 0 H GLU A 20 0.529 -4.442 2.890 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.701 -2.445 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.797 -5.435 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.527 -4.695 5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.216 -3.648 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.944 -5.141 3.458 1.00 0.00 H new ATOM 288 N ALA A 21 1.670 -4.041 5.965 1.00 0.00 N ATOM 289 CA ALA A 21 2.477 -4.063 7.179 1.00 0.00 C ATOM 290 C ALA A 21 3.282 -2.777 7.326 1.00 0.00 C ATOM 291 O ALA A 21 3.531 -2.312 8.440 1.00 0.00 O ATOM 292 CB ALA A 21 3.403 -5.270 7.175 1.00 0.00 C ATOM 0 H ALA A 21 2.041 -4.607 5.202 1.00 0.00 H new ATOM 0 HA ALA A 21 1.803 -4.139 8.032 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.000 -5.274 8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.810 -6.183 7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.064 -5.219 6.310 1.00 0.00 H new ATOM 298 N LEU A 22 3.688 -2.206 6.198 1.00 0.00 N ATOM 299 CA LEU A 22 4.467 -0.972 6.201 1.00 0.00 C ATOM 300 C LEU A 22 3.604 0.215 6.616 1.00 0.00 C ATOM 301 O LEU A 22 4.118 1.280 6.957 1.00 0.00 O ATOM 302 CB LEU A 22 5.069 -0.722 4.817 1.00 0.00 C ATOM 303 CG LEU A 22 5.883 -1.871 4.221 1.00 0.00 C ATOM 304 CD1 LEU A 22 6.057 -1.681 2.723 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.237 -1.976 4.908 1.00 0.00 C ATOM 0 H LEU A 22 3.491 -2.578 5.269 1.00 0.00 H new ATOM 0 HA LEU A 22 5.274 -1.082 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.259 -0.482 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.709 0.158 4.875 1.00 0.00 H new ATOM 0 HG LEU A 22 5.340 -2.801 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.639 -2.508 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.079 -1.655 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.579 -0.743 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.803 -2.799 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.787 -1.045 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.092 -2.160 5.972 1.00 0.00 H new ATOM 317 N GLY A 23 2.289 0.024 6.585 1.00 0.00 N ATOM 318 CA GLY A 23 1.376 1.087 6.962 1.00 0.00 C ATOM 319 C GLY A 23 1.602 2.355 6.163 1.00 0.00 C ATOM 320 O GLY A 23 1.442 2.365 4.943 1.00 0.00 O ATOM 0 H GLY A 23 1.840 -0.848 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.350 0.749 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.494 1.304 8.024 1.00 0.00 H new ATOM 324 N GLU A 24 1.973 3.429 6.854 1.00 0.00 N ATOM 325 CA GLU A 24 2.218 4.709 6.200 1.00 0.00 C ATOM 326 C GLU A 24 3.338 4.589 5.170 1.00 0.00 C ATOM 327 O GLU A 24 3.516 5.467 4.327 1.00 0.00 O ATOM 328 CB GLU A 24 2.577 5.776 7.237 1.00 0.00 C ATOM 329 CG GLU A 24 1.446 6.093 8.200 1.00 0.00 C ATOM 330 CD GLU A 24 1.919 6.848 9.427 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.030 8.090 9.353 1.00 0.00 O ATOM 332 OE2 GLU A 24 2.178 6.198 10.461 1.00 0.00 O ATOM 0 H GLU A 24 2.110 3.438 7.865 1.00 0.00 H new ATOM 0 HA GLU A 24 1.304 5.005 5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.444 5.441 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.869 6.690 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.689 6.684 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.968 5.164 8.511 1.00 0.00 H new ATOM 339 N MET A 25 4.089 3.495 5.246 1.00 0.00 N ATOM 340 CA MET A 25 5.190 3.259 4.321 1.00 0.00 C ATOM 341 C MET A 25 4.715 2.482 3.097 1.00 0.00 C ATOM 342 O MET A 25 5.469 2.283 2.145 1.00 0.00 O ATOM 343 CB MET A 25 6.316 2.494 5.019 1.00 0.00 C ATOM 344 CG MET A 25 7.382 3.397 5.621 1.00 0.00 C ATOM 345 SD MET A 25 8.438 4.153 4.371 1.00 0.00 S ATOM 346 CE MET A 25 9.131 2.698 3.588 1.00 0.00 C ATOM 0 H MET A 25 3.955 2.758 5.939 1.00 0.00 H new ATOM 0 HA MET A 25 5.568 4.227 3.991 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.889 1.874 5.807 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.785 1.820 4.302 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.901 4.180 6.207 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.998 2.817 6.309 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.088 2.951 3.132 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.280 1.919 4.335 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.447 2.338 2.820 1.00 0.00 H new ATOM 356 N ALA A 26 3.461 2.044 3.130 1.00 0.00 N ATOM 357 CA ALA A 26 2.885 1.291 2.023 1.00 0.00 C ATOM 358 C ALA A 26 3.322 1.867 0.680 1.00 0.00 C ATOM 359 O ALA A 26 3.133 3.053 0.410 1.00 0.00 O ATOM 360 CB ALA A 26 1.367 1.279 2.125 1.00 0.00 C ATOM 0 H ALA A 26 2.824 2.198 3.912 1.00 0.00 H new ATOM 0 HA ALA A 26 3.250 0.266 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.951 0.713 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.069 0.813 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.992 2.302 2.092 1.00 0.00 H new ATOM 366 N THR A 27 3.910 1.019 -0.159 1.00 0.00 N ATOM 367 CA THR A 27 4.376 1.445 -1.473 1.00 0.00 C ATOM 368 C THR A 27 3.236 1.449 -2.486 1.00 0.00 C ATOM 369 O THR A 27 3.466 1.522 -3.693 1.00 0.00 O ATOM 370 CB THR A 27 5.505 0.534 -1.991 1.00 0.00 C ATOM 371 OG1 THR A 27 5.011 -0.796 -2.185 1.00 0.00 O ATOM 372 CG2 THR A 27 6.671 0.510 -1.015 1.00 0.00 C ATOM 0 H THR A 27 4.075 0.034 0.048 1.00 0.00 H new ATOM 0 HA THR A 27 4.761 2.459 -1.359 1.00 0.00 H new ATOM 0 HB THR A 27 5.856 0.933 -2.943 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.409 -1.393 -1.518 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.456 -0.140 -1.402 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.063 1.519 -0.892 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.331 0.133 -0.051 1.00 0.00 H new ATOM 380 N VAL A 28 2.007 1.370 -1.987 1.00 0.00 N ATOM 381 CA VAL A 28 0.831 1.366 -2.849 1.00 0.00 C ATOM 382 C VAL A 28 -0.072 2.558 -2.552 1.00 0.00 C ATOM 383 O VAL A 28 -0.016 3.138 -1.468 1.00 0.00 O ATOM 384 CB VAL A 28 0.019 0.068 -2.684 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.673 -0.298 -3.989 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.916 -1.065 -2.211 1.00 0.00 C ATOM 0 H VAL A 28 1.800 1.308 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 28 1.191 1.433 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.748 0.233 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.242 -1.218 -3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.348 0.507 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.075 -0.445 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.325 -1.974 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.707 -1.233 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.360 -0.801 -1.251 1.00 0.00 H new ATOM 396 N ALA A 29 -0.904 2.920 -3.523 1.00 0.00 N ATOM 397 CA ALA A 29 -1.821 4.041 -3.365 1.00 0.00 C ATOM 398 C ALA A 29 -2.949 3.697 -2.399 1.00 0.00 C ATOM 399 O ALA A 29 -3.144 4.352 -1.375 1.00 0.00 O ATOM 400 CB ALA A 29 -2.388 4.454 -4.716 1.00 0.00 C ATOM 0 H ALA A 29 -0.961 2.453 -4.428 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.262 4.878 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.072 5.293 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.574 4.751 -5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.925 3.614 -5.157 1.00 0.00 H new ATOM 406 N PRO A 30 -3.712 2.644 -2.730 1.00 0.00 N ATOM 407 CA PRO A 30 -4.834 2.189 -1.904 1.00 0.00 C ATOM 408 C PRO A 30 -4.372 1.566 -0.591 1.00 0.00 C ATOM 409 O PRO A 30 -4.846 1.934 0.484 1.00 0.00 O ATOM 410 CB PRO A 30 -5.518 1.139 -2.782 1.00 0.00 C ATOM 411 CG PRO A 30 -4.443 0.643 -3.687 1.00 0.00 C ATOM 412 CD PRO A 30 -3.537 1.817 -3.936 1.00 0.00 C ATOM 0 HA PRO A 30 -5.486 3.012 -1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.934 0.330 -2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.343 1.572 -3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.897 -0.181 -3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.861 0.268 -4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.500 1.505 -4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.819 2.358 -4.839 1.00 0.00 H new ATOM 420 N VAL A 31 -3.443 0.620 -0.685 1.00 0.00 N ATOM 421 CA VAL A 31 -2.915 -0.054 0.496 1.00 0.00 C ATOM 422 C VAL A 31 -2.355 0.951 1.497 1.00 0.00 C ATOM 423 O VAL A 31 -2.224 0.652 2.685 1.00 0.00 O ATOM 424 CB VAL A 31 -1.810 -1.059 0.122 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.525 -1.997 1.285 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.202 -1.843 -1.122 1.00 0.00 C ATOM 0 H VAL A 31 -3.040 0.303 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.746 -0.592 0.951 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.898 -0.504 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.742 -2.700 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.198 -1.417 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.431 -2.547 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.410 -2.549 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.127 -2.388 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.351 -1.155 -1.954 1.00 0.00 H new ATOM 436 N LEU A 32 -2.027 2.142 1.011 1.00 0.00 N ATOM 437 CA LEU A 32 -1.481 3.193 1.863 1.00 0.00 C ATOM 438 C LEU A 32 -2.598 4.025 2.484 1.00 0.00 C ATOM 439 O LEU A 32 -2.612 4.260 3.693 1.00 0.00 O ATOM 440 CB LEU A 32 -0.545 4.095 1.057 1.00 0.00 C ATOM 441 CG LEU A 32 -0.119 5.397 1.736 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.483 5.114 3.104 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.869 6.156 0.863 1.00 0.00 C ATOM 0 H LEU A 32 -2.129 2.405 0.031 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.916 2.719 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.352 3.527 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.034 4.343 0.115 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.004 6.019 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.780 6.053 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.256 4.614 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.357 4.472 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.161 7.080 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.752 5.540 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.403 6.392 -0.093 1.00 0.00 H new ATOM 455 N TYR A 33 -3.533 4.467 1.651 1.00 0.00 N ATOM 456 CA TYR A 33 -4.655 5.273 2.118 1.00 0.00 C ATOM 457 C TYR A 33 -5.305 4.642 3.345 1.00 0.00 C ATOM 458 O TYR A 33 -5.378 5.256 4.410 1.00 0.00 O ATOM 459 CB TYR A 33 -5.691 5.437 1.005 1.00 0.00 C ATOM 460 CG TYR A 33 -7.018 5.976 1.488 1.00 0.00 C ATOM 461 CD1 TYR A 33 -8.006 5.122 1.962 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.284 7.340 1.470 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.220 5.611 2.404 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.495 7.837 1.911 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.460 6.969 2.377 1.00 0.00 C ATOM 466 OH TYR A 33 -10.668 7.459 2.817 1.00 0.00 O ATOM 0 H TYR A 33 -3.536 4.281 0.648 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.273 6.255 2.396 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.291 6.107 0.244 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.853 4.471 0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.822 4.058 1.985 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.531 8.023 1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.978 4.933 2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.685 8.900 1.891 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.543 7.913 3.677 1.00 0.00 H new ATOM 476 N THR A 34 -5.778 3.410 3.188 1.00 0.00 N ATOM 477 CA THR A 34 -6.424 2.694 4.281 1.00 0.00 C ATOM 478 C THR A 34 -5.521 2.634 5.508 1.00 0.00 C ATOM 479 O THR A 34 -5.938 2.972 6.614 1.00 0.00 O ATOM 480 CB THR A 34 -6.803 1.259 3.866 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.725 0.658 3.141 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.060 1.259 3.010 1.00 0.00 C ATOM 0 H THR A 34 -5.726 2.887 2.314 1.00 0.00 H new ATOM 0 HA THR A 34 -7.332 3.245 4.527 1.00 0.00 H new ATOM 0 HB THR A 34 -6.998 0.682 4.770 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.730 -0.311 3.290 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.309 0.236 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.886 1.691 3.576 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.888 1.851 2.111 1.00 0.00 H new ATOM 490 N ASN A 35 -4.281 2.201 5.304 1.00 0.00 N ATOM 491 CA ASN A 35 -3.318 2.097 6.395 1.00 0.00 C ATOM 492 C ASN A 35 -3.387 3.324 7.299 1.00 0.00 C ATOM 493 O ASN A 35 -3.218 3.222 8.514 1.00 0.00 O ATOM 494 CB ASN A 35 -1.902 1.937 5.839 1.00 0.00 C ATOM 495 CG ASN A 35 -1.591 0.504 5.451 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.346 -0.414 5.771 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.476 0.308 4.758 1.00 0.00 N ATOM 0 H ASN A 35 -3.919 1.917 4.394 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.570 1.217 6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.782 2.581 4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.182 2.273 6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.215 -0.634 4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.119 1.100 4.515 1.00 0.00 H new ATOM 504 N ILE A 36 -3.635 4.483 6.697 1.00 0.00 N ATOM 505 CA ILE A 36 -3.727 5.728 7.448 1.00 0.00 C ATOM 506 C ILE A 36 -5.156 5.985 7.914 1.00 0.00 C ATOM 507 O ILE A 36 -5.437 5.997 9.112 1.00 0.00 O ATOM 508 CB ILE A 36 -3.249 6.928 6.609 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.797 6.726 6.171 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.395 8.219 7.400 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.399 7.579 4.987 1.00 0.00 C ATOM 0 H ILE A 36 -3.776 4.585 5.692 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.078 5.621 8.317 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.871 6.999 5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.138 6.952 7.009 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.644 5.676 5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.053 9.058 6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.442 8.366 7.666 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.795 8.159 8.308 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.357 7.384 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.033 7.337 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.519 8.632 5.241 1.00 0.00 H new ATOM 523 N ASN A 37 -6.057 6.189 6.958 1.00 0.00 N ATOM 524 CA ASN A 37 -7.458 6.444 7.270 1.00 0.00 C ATOM 525 C ASN A 37 -8.004 5.388 8.226 1.00 0.00 C ATOM 526 O ASN A 37 -8.546 5.713 9.283 1.00 0.00 O ATOM 527 CB ASN A 37 -8.292 6.466 5.987 1.00 0.00 C ATOM 528 CG ASN A 37 -8.202 7.795 5.261 1.00 0.00 C ATOM 529 OD1 ASN A 37 -9.175 8.545 5.194 1.00 0.00 O ATOM 530 ND2 ASN A 37 -7.029 8.091 4.714 1.00 0.00 N ATOM 0 H ASN A 37 -5.841 6.183 5.961 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.524 7.417 7.756 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.955 5.669 5.324 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.334 6.258 6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.907 8.971 4.213 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.249 7.438 4.795 1.00 0.00 H new ATOM 537 N PHE A 38 -7.857 4.123 7.848 1.00 0.00 N ATOM 538 CA PHE A 38 -8.335 3.018 8.671 1.00 0.00 C ATOM 539 C PHE A 38 -7.166 2.231 9.257 1.00 0.00 C ATOM 540 O PHE A 38 -6.710 1.235 8.694 1.00 0.00 O ATOM 541 CB PHE A 38 -9.227 2.089 7.847 1.00 0.00 C ATOM 542 CG PHE A 38 -10.402 2.785 7.221 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.239 3.566 6.089 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.670 2.659 7.767 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.318 4.208 5.511 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.752 3.298 7.193 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.576 4.075 6.064 1.00 0.00 C ATOM 0 H PHE A 38 -7.410 3.837 6.977 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.918 3.435 9.492 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.629 1.626 7.062 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.590 1.285 8.487 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.257 3.675 5.653 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.814 2.055 8.651 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.177 4.813 4.628 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.735 3.190 7.627 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.420 4.577 5.615 1.00 0.00 H new ATOM 557 N PRO A 39 -6.668 2.688 10.416 1.00 0.00 N ATOM 558 CA PRO A 39 -5.546 2.042 11.104 1.00 0.00 C ATOM 559 C PRO A 39 -5.927 0.687 11.690 1.00 0.00 C ATOM 560 O PRO A 39 -5.159 -0.271 11.613 1.00 0.00 O ATOM 561 CB PRO A 39 -5.200 3.029 12.222 1.00 0.00 C ATOM 562 CG PRO A 39 -6.465 3.776 12.473 1.00 0.00 C ATOM 563 CD PRO A 39 -7.161 3.869 11.143 1.00 0.00 C ATOM 0 HA PRO A 39 -4.717 1.836 10.426 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.863 2.509 13.119 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.396 3.701 11.922 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.086 3.257 13.203 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.259 4.768 12.876 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.245 3.848 11.255 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.912 4.794 10.623 1.00 0.00 H new ATOM 571 N ASN A 40 -7.119 0.614 12.274 1.00 0.00 N ATOM 572 CA ASN A 40 -7.602 -0.625 12.872 1.00 0.00 C ATOM 573 C ASN A 40 -8.300 -1.496 11.832 1.00 0.00 C ATOM 574 O ASN A 40 -8.987 -2.459 12.173 1.00 0.00 O ATOM 575 CB ASN A 40 -8.562 -0.319 14.024 1.00 0.00 C ATOM 576 CG ASN A 40 -7.969 0.649 15.029 1.00 0.00 C ATOM 577 OD1 ASN A 40 -8.446 1.775 15.180 1.00 0.00 O ATOM 578 ND2 ASN A 40 -6.924 0.215 15.723 1.00 0.00 N ATOM 0 H ASN A 40 -7.768 1.398 12.346 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.742 -1.171 13.259 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.485 0.099 13.623 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.826 -1.248 14.530 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.483 0.822 16.414 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.562 -0.725 15.565 1.00 0.00 H new ATOM 585 N LEU A 41 -8.117 -1.151 10.562 1.00 0.00 N ATOM 586 CA LEU A 41 -8.728 -1.902 9.470 1.00 0.00 C ATOM 587 C LEU A 41 -8.676 -3.401 9.745 1.00 0.00 C ATOM 588 O LEU A 41 -9.708 -4.071 9.791 1.00 0.00 O ATOM 589 CB LEU A 41 -8.021 -1.588 8.151 1.00 0.00 C ATOM 590 CG LEU A 41 -8.707 -2.098 6.883 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.670 -1.052 6.341 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.674 -2.472 5.830 1.00 0.00 C ATOM 0 H LEU A 41 -7.551 -0.357 10.263 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.773 -1.602 9.395 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.910 -0.507 8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.017 -2.009 8.191 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.277 -2.992 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.149 -1.432 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.430 -0.834 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.121 -0.140 6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.181 -2.833 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.076 -1.596 5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.024 -3.256 6.220 1.00 0.00 H new ATOM 604 N LYS A 42 -7.468 -3.923 9.928 1.00 0.00 N ATOM 605 CA LYS A 42 -7.280 -5.342 10.201 1.00 0.00 C ATOM 606 C LYS A 42 -8.384 -5.872 11.110 1.00 0.00 C ATOM 607 O LYS A 42 -8.893 -6.974 10.906 1.00 0.00 O ATOM 608 CB LYS A 42 -5.914 -5.582 10.848 1.00 0.00 C ATOM 609 CG LYS A 42 -5.634 -4.672 12.032 1.00 0.00 C ATOM 610 CD LYS A 42 -4.458 -5.173 12.854 1.00 0.00 C ATOM 611 CE LYS A 42 -3.984 -4.122 13.846 1.00 0.00 C ATOM 612 NZ LYS A 42 -4.966 -3.915 14.947 1.00 0.00 N ATOM 0 H LYS A 42 -6.603 -3.383 9.892 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.325 -5.877 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.854 -6.620 11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.136 -5.439 10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.427 -3.663 11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.521 -4.611 12.663 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.746 -6.077 13.390 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.638 -5.444 12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.026 -4.426 14.267 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.819 -3.179 13.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.527 -3.351 15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.799 -3.412 14.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.259 -4.837 15.329 1.00 0.00 H new ATOM 626 N GLU A 43 -8.751 -5.079 12.112 1.00 0.00 N ATOM 627 CA GLU A 43 -9.797 -5.470 13.051 1.00 0.00 C ATOM 628 C GLU A 43 -11.136 -5.630 12.338 1.00 0.00 C ATOM 629 O GLU A 43 -11.692 -6.726 12.280 1.00 0.00 O ATOM 630 CB GLU A 43 -9.922 -4.433 14.169 1.00 0.00 C ATOM 631 CG GLU A 43 -8.641 -4.235 14.962 1.00 0.00 C ATOM 632 CD GLU A 43 -8.878 -3.542 16.290 1.00 0.00 C ATOM 633 OE1 GLU A 43 -10.036 -3.539 16.758 1.00 0.00 O ATOM 634 OE2 GLU A 43 -7.907 -3.004 16.861 1.00 0.00 O ATOM 0 H GLU A 43 -8.340 -4.163 12.294 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.520 -6.431 13.485 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.222 -3.479 13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.717 -4.739 14.849 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.175 -5.204 15.140 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.939 -3.648 14.370 1.00 0.00 H new ATOM 641 N GLU A 44 -11.648 -4.528 11.798 1.00 0.00 N ATOM 642 CA GLU A 44 -12.923 -4.546 11.091 1.00 0.00 C ATOM 643 C GLU A 44 -13.025 -5.769 10.184 1.00 0.00 C ATOM 644 O GLU A 44 -14.062 -6.430 10.128 1.00 0.00 O ATOM 645 CB GLU A 44 -13.091 -3.270 10.265 1.00 0.00 C ATOM 646 CG GLU A 44 -13.733 -2.127 11.034 1.00 0.00 C ATOM 647 CD GLU A 44 -12.742 -1.386 11.911 1.00 0.00 C ATOM 648 OE1 GLU A 44 -12.259 -1.983 12.896 1.00 0.00 O ATOM 649 OE2 GLU A 44 -12.451 -0.209 11.613 1.00 0.00 O ATOM 0 H GLU A 44 -11.200 -3.613 11.837 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.720 -4.598 11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.114 -2.950 9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.698 -3.493 9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.183 -1.428 10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.539 -2.519 11.654 1.00 0.00 H new ATOM 656 N PHE A 45 -11.940 -6.065 9.475 1.00 0.00 N ATOM 657 CA PHE A 45 -11.907 -7.207 8.569 1.00 0.00 C ATOM 658 C PHE A 45 -10.616 -8.002 8.744 1.00 0.00 C ATOM 659 O PHE A 45 -9.586 -7.704 8.139 1.00 0.00 O ATOM 660 CB PHE A 45 -12.037 -6.738 7.118 1.00 0.00 C ATOM 661 CG PHE A 45 -13.040 -5.635 6.933 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.697 -4.318 7.191 1.00 0.00 C ATOM 663 CD2 PHE A 45 -14.326 -5.916 6.500 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.617 -3.301 7.021 1.00 0.00 C ATOM 665 CE2 PHE A 45 -15.250 -4.903 6.328 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.896 -3.594 6.590 1.00 0.00 C ATOM 0 H PHE A 45 -11.072 -5.530 9.511 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.749 -7.856 8.811 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.064 -6.396 6.766 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.322 -7.586 6.494 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.699 -4.083 7.529 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.609 -6.938 6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.336 -2.278 7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -16.249 -5.135 5.989 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.618 -2.801 6.458 1.00 0.00 H new ATOM 676 N PRO A 46 -10.671 -9.039 9.592 1.00 0.00 N ATOM 677 CA PRO A 46 -9.517 -9.899 9.868 1.00 0.00 C ATOM 678 C PRO A 46 -9.145 -10.770 8.673 1.00 0.00 C ATOM 679 O PRO A 46 -7.967 -10.934 8.354 1.00 0.00 O ATOM 680 CB PRO A 46 -9.992 -10.768 11.035 1.00 0.00 C ATOM 681 CG PRO A 46 -11.476 -10.792 10.910 1.00 0.00 C ATOM 682 CD PRO A 46 -11.866 -9.453 10.348 1.00 0.00 C ATOM 0 HA PRO A 46 -8.621 -9.319 10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.574 -11.773 10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.682 -10.349 11.992 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.799 -11.600 10.254 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.947 -10.961 11.879 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.743 -9.527 9.705 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.109 -8.741 11.137 1.00 0.00 H new ATOM 690 N ASP A 47 -10.156 -11.327 8.015 1.00 0.00 N ATOM 691 CA ASP A 47 -9.934 -12.180 6.853 1.00 0.00 C ATOM 692 C ASP A 47 -9.485 -11.356 5.650 1.00 0.00 C ATOM 693 O ASP A 47 -10.265 -10.590 5.085 1.00 0.00 O ATOM 694 CB ASP A 47 -11.210 -12.952 6.510 1.00 0.00 C ATOM 695 CG ASP A 47 -11.932 -13.455 7.745 1.00 0.00 C ATOM 696 OD1 ASP A 47 -11.248 -13.836 8.717 1.00 0.00 O ATOM 697 OD2 ASP A 47 -13.181 -13.467 7.739 1.00 0.00 O ATOM 0 H ASP A 47 -11.137 -11.203 8.266 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.144 -12.889 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.879 -12.308 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.959 -13.798 5.870 1.00 0.00 H new ATOM 702 N TRP A 48 -8.224 -11.518 5.266 1.00 0.00 N ATOM 703 CA TRP A 48 -7.671 -10.788 4.132 1.00 0.00 C ATOM 704 C TRP A 48 -8.653 -10.770 2.965 1.00 0.00 C ATOM 705 O TRP A 48 -9.135 -9.711 2.561 1.00 0.00 O ATOM 706 CB TRP A 48 -6.348 -11.415 3.691 1.00 0.00 C ATOM 707 CG TRP A 48 -5.743 -10.746 2.494 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.428 -11.330 1.300 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.377 -9.366 2.377 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.890 -10.396 0.448 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.848 -9.184 1.084 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.447 -8.267 3.237 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.392 -7.948 0.635 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -4.993 -7.041 2.790 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.472 -6.889 1.498 1.00 0.00 C ATOM 0 H TRP A 48 -7.565 -12.148 5.723 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.490 -9.760 4.447 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.640 -11.372 4.519 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.511 -12.469 3.466 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.580 -12.372 1.061 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.573 -10.576 -0.505 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.849 -8.374 4.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.989 -7.829 -0.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.040 -6.185 3.447 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.127 -5.917 1.177 1.00 0.00 H new ATOM 726 N THR A 49 -8.947 -11.949 2.426 1.00 0.00 N ATOM 727 CA THR A 49 -9.870 -12.069 1.305 1.00 0.00 C ATOM 728 C THR A 49 -11.068 -11.141 1.478 1.00 0.00 C ATOM 729 O THR A 49 -11.707 -10.746 0.503 1.00 0.00 O ATOM 730 CB THR A 49 -10.375 -13.515 1.144 1.00 0.00 C ATOM 731 OG1 THR A 49 -9.339 -14.437 1.500 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.823 -13.776 -0.286 1.00 0.00 C ATOM 0 H THR A 49 -8.558 -12.835 2.748 1.00 0.00 H new ATOM 0 HA THR A 49 -9.318 -11.784 0.410 1.00 0.00 H new ATOM 0 HB THR A 49 -11.229 -13.654 1.806 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.668 -15.354 1.397 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.175 -14.804 -0.375 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.631 -13.092 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.984 -13.620 -0.964 1.00 0.00 H new ATOM 740 N THR A 50 -11.368 -10.796 2.727 1.00 0.00 N ATOM 741 CA THR A 50 -12.489 -9.915 3.028 1.00 0.00 C ATOM 742 C THR A 50 -12.023 -8.475 3.212 1.00 0.00 C ATOM 743 O THR A 50 -12.720 -7.534 2.834 1.00 0.00 O ATOM 744 CB THR A 50 -13.234 -10.368 4.297 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.790 -11.673 4.100 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.342 -9.389 4.653 1.00 0.00 C ATOM 0 H THR A 50 -10.850 -11.114 3.546 1.00 0.00 H new ATOM 0 HA THR A 50 -13.169 -9.968 2.178 1.00 0.00 H new ATOM 0 HB THR A 50 -12.519 -10.398 5.119 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.261 -11.954 4.912 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.854 -9.730 5.553 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.913 -8.403 4.832 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.054 -9.331 3.830 1.00 0.00 H new ATOM 754 N ARG A 51 -10.840 -8.311 3.796 1.00 0.00 N ATOM 755 CA ARG A 51 -10.282 -6.985 4.031 1.00 0.00 C ATOM 756 C ARG A 51 -9.861 -6.332 2.718 1.00 0.00 C ATOM 757 O ARG A 51 -10.230 -5.192 2.433 1.00 0.00 O ATOM 758 CB ARG A 51 -9.082 -7.074 4.976 1.00 0.00 C ATOM 759 CG ARG A 51 -8.355 -5.753 5.163 1.00 0.00 C ATOM 760 CD ARG A 51 -7.625 -5.702 6.496 1.00 0.00 C ATOM 761 NE ARG A 51 -6.259 -6.209 6.391 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.944 -7.496 6.479 1.00 0.00 C ATOM 763 NH1 ARG A 51 -6.893 -8.403 6.672 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.678 -7.880 6.374 1.00 0.00 N ATOM 0 H ARG A 51 -10.250 -9.080 4.115 1.00 0.00 H new ATOM 0 HA ARG A 51 -11.055 -6.369 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.421 -7.433 5.948 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.380 -7.814 4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.642 -5.611 4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.070 -4.932 5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.603 -4.674 6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.174 -6.289 7.233 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.506 -5.538 6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.867 -8.112 6.753 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.648 -9.391 6.739 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.945 -7.186 6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.438 -8.869 6.442 1.00 0.00 H new ATOM 778 N VAL A 52 -9.087 -7.061 1.921 1.00 0.00 N ATOM 779 CA VAL A 52 -8.616 -6.553 0.638 1.00 0.00 C ATOM 780 C VAL A 52 -9.742 -5.867 -0.127 1.00 0.00 C ATOM 781 O VAL A 52 -9.536 -4.830 -0.758 1.00 0.00 O ATOM 782 CB VAL A 52 -8.032 -7.682 -0.232 1.00 0.00 C ATOM 783 CG1 VAL A 52 -9.102 -8.712 -0.560 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.422 -7.112 -1.504 1.00 0.00 C ATOM 0 H VAL A 52 -8.773 -8.006 2.141 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.831 -5.827 0.853 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.243 -8.180 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.671 -9.502 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.488 -9.142 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.915 -8.231 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.014 -7.923 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.190 -6.588 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.624 -6.416 -1.245 1.00 0.00 H new ATOM 794 N LYS A 53 -10.933 -6.452 -0.067 1.00 0.00 N ATOM 795 CA LYS A 53 -12.094 -5.897 -0.753 1.00 0.00 C ATOM 796 C LYS A 53 -12.444 -4.518 -0.201 1.00 0.00 C ATOM 797 O LYS A 53 -12.914 -3.648 -0.934 1.00 0.00 O ATOM 798 CB LYS A 53 -13.294 -6.835 -0.609 1.00 0.00 C ATOM 799 CG LYS A 53 -13.074 -8.204 -1.229 1.00 0.00 C ATOM 800 CD LYS A 53 -14.045 -9.231 -0.672 1.00 0.00 C ATOM 801 CE LYS A 53 -13.876 -10.583 -1.349 1.00 0.00 C ATOM 802 NZ LYS A 53 -14.541 -10.625 -2.680 1.00 0.00 N ATOM 0 H LYS A 53 -11.120 -7.311 0.450 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.846 -5.794 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.524 -6.958 0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.165 -6.371 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.193 -8.138 -2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.051 -8.530 -1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.887 -9.338 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.067 -8.879 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.814 -10.800 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.292 -11.363 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.402 -11.563 -3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.559 -10.444 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.127 -9.898 -3.298 1.00 0.00 H new ATOM 816 N GLN A 54 -12.211 -4.327 1.093 1.00 0.00 N ATOM 817 CA GLN A 54 -12.501 -3.054 1.741 1.00 0.00 C ATOM 818 C GLN A 54 -11.545 -1.967 1.260 1.00 0.00 C ATOM 819 O GLN A 54 -11.923 -0.801 1.144 1.00 0.00 O ATOM 820 CB GLN A 54 -12.405 -3.197 3.261 1.00 0.00 C ATOM 821 CG GLN A 54 -13.369 -4.222 3.837 1.00 0.00 C ATOM 822 CD GLN A 54 -14.821 -3.822 3.661 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.168 -2.630 4.132 1.00 0.00 O flip ATOM 824 NE2 GLN A 54 -15.622 -4.576 3.108 1.00 0.00 N flip ATOM 0 H GLN A 54 -11.822 -5.037 1.713 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.517 -2.763 1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.386 -3.478 3.528 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.599 -2.228 3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.200 -5.185 3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.159 -4.356 4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.312 -5.484 2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.596 -4.293 2.997 1.00 0.00 H new ATOM 833 N ILE A 55 -10.306 -2.358 0.981 1.00 0.00 N ATOM 834 CA ILE A 55 -9.296 -1.417 0.512 1.00 0.00 C ATOM 835 C ILE A 55 -9.668 -0.847 -0.852 1.00 0.00 C ATOM 836 O ILE A 55 -9.446 0.332 -1.125 1.00 0.00 O ATOM 837 CB ILE A 55 -7.909 -2.080 0.418 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.438 -2.526 1.804 1.00 0.00 C ATOM 839 CG2 ILE A 55 -6.906 -1.122 -0.206 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.241 -3.450 1.767 1.00 0.00 C ATOM 0 H ILE A 55 -9.978 -3.319 1.072 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.254 -0.609 1.242 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.985 -2.961 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.188 -1.645 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.260 -3.029 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.930 -1.605 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.238 -0.849 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.830 -0.224 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.962 -3.725 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.492 -4.349 1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.404 -2.943 1.286 1.00 0.00 H new ATOM 852 N ALA A 56 -10.238 -1.692 -1.706 1.00 0.00 N ATOM 853 CA ALA A 56 -10.644 -1.272 -3.041 1.00 0.00 C ATOM 854 C ALA A 56 -11.836 -0.322 -2.978 1.00 0.00 C ATOM 855 O ALA A 56 -11.774 0.802 -3.477 1.00 0.00 O ATOM 856 CB ALA A 56 -10.978 -2.484 -3.897 1.00 0.00 C ATOM 0 H ALA A 56 -10.429 -2.672 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.810 -0.738 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.280 -2.155 -4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.100 -3.125 -3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.794 -3.041 -3.436 1.00 0.00 H new ATOM 862 N LYS A 57 -12.920 -0.780 -2.362 1.00 0.00 N ATOM 863 CA LYS A 57 -14.127 0.028 -2.233 1.00 0.00 C ATOM 864 C LYS A 57 -13.807 1.389 -1.622 1.00 0.00 C ATOM 865 O LYS A 57 -14.229 2.426 -2.136 1.00 0.00 O ATOM 866 CB LYS A 57 -15.163 -0.699 -1.372 1.00 0.00 C ATOM 867 CG LYS A 57 -14.936 -0.534 0.121 1.00 0.00 C ATOM 868 CD LYS A 57 -16.018 -1.230 0.929 1.00 0.00 C ATOM 869 CE LYS A 57 -17.204 -0.311 1.180 1.00 0.00 C ATOM 870 NZ LYS A 57 -18.131 -0.868 2.204 1.00 0.00 N ATOM 0 H LYS A 57 -12.988 -1.708 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.538 0.184 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.157 -0.328 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.147 -1.761 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.961 -0.942 0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.918 0.526 0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.353 -2.121 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.605 -1.562 1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.845 0.664 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.745 -0.154 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.926 -0.212 2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.494 -1.787 1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.621 -0.994 3.102 1.00 0.00 H new ATOM 884 N LEU A 58 -13.059 1.378 -0.525 1.00 0.00 N ATOM 885 CA LEU A 58 -12.681 2.613 0.155 1.00 0.00 C ATOM 886 C LEU A 58 -11.792 3.475 -0.735 1.00 0.00 C ATOM 887 O LEU A 58 -11.868 4.703 -0.702 1.00 0.00 O ATOM 888 CB LEU A 58 -11.956 2.295 1.465 1.00 0.00 C ATOM 889 CG LEU A 58 -12.795 1.615 2.548 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.896 0.952 3.580 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.723 2.620 3.213 1.00 0.00 C ATOM 0 H LEU A 58 -12.702 0.529 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.591 3.171 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.103 1.655 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.558 3.225 1.872 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.405 0.844 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.510 0.473 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.273 0.202 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.260 1.705 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.312 2.119 3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.132 3.414 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.391 3.049 2.466 1.00 0.00 H new ATOM 903 N TRP A 59 -10.951 2.823 -1.530 1.00 0.00 N ATOM 904 CA TRP A 59 -10.049 3.531 -2.432 1.00 0.00 C ATOM 905 C TRP A 59 -10.830 4.303 -3.489 1.00 0.00 C ATOM 906 O TRP A 59 -10.639 5.507 -3.658 1.00 0.00 O ATOM 907 CB TRP A 59 -9.092 2.545 -3.106 1.00 0.00 C ATOM 908 CG TRP A 59 -8.162 3.196 -4.085 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.110 2.981 -5.432 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.150 4.165 -3.792 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.127 3.758 -5.995 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.523 4.494 -5.010 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.713 4.788 -2.620 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.484 5.418 -5.086 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.681 5.704 -2.697 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.076 6.012 -3.923 1.00 0.00 C ATOM 0 H TRP A 59 -10.875 1.807 -1.569 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.471 4.243 -1.843 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.505 2.038 -2.340 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.673 1.780 -3.621 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.748 2.300 -5.975 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.886 3.783 -6.986 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.174 4.558 -1.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.017 5.657 -6.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.335 6.191 -1.797 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.272 6.732 -3.950 1.00 0.00 H new ATOM 927 N ARG A 60 -11.710 3.603 -4.197 1.00 0.00 N ATOM 928 CA ARG A 60 -12.520 4.224 -5.239 1.00 0.00 C ATOM 929 C ARG A 60 -13.422 5.306 -4.653 1.00 0.00 C ATOM 930 O ARG A 60 -13.581 6.379 -5.234 1.00 0.00 O ATOM 931 CB ARG A 60 -13.367 3.169 -5.953 1.00 0.00 C ATOM 932 CG ARG A 60 -12.547 2.157 -6.735 1.00 0.00 C ATOM 933 CD ARG A 60 -13.437 1.208 -7.522 1.00 0.00 C ATOM 934 NE ARG A 60 -13.776 1.741 -8.838 1.00 0.00 N ATOM 935 CZ ARG A 60 -14.827 2.521 -9.067 1.00 0.00 C ATOM 936 NH1 ARG A 60 -15.636 2.857 -8.071 1.00 0.00 N ATOM 937 NH2 ARG A 60 -15.070 2.967 -10.292 1.00 0.00 N ATOM 0 H ARG A 60 -11.881 2.606 -4.068 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.847 4.688 -5.960 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.972 2.642 -5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.057 3.669 -6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.877 2.680 -7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.921 1.586 -6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.931 0.249 -7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.352 1.020 -6.960 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.173 1.501 -9.625 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.452 2.517 -7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.442 3.456 -8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.450 2.711 -11.060 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.877 3.566 -10.466 1.00 0.00 H new ATOM 951 N LYS A 61 -14.012 5.016 -3.498 1.00 0.00 N ATOM 952 CA LYS A 61 -14.899 5.962 -2.832 1.00 0.00 C ATOM 953 C LYS A 61 -14.269 7.350 -2.776 1.00 0.00 C ATOM 954 O LYS A 61 -14.953 8.360 -2.940 1.00 0.00 O ATOM 955 CB LYS A 61 -15.222 5.480 -1.416 1.00 0.00 C ATOM 956 CG LYS A 61 -16.382 4.501 -1.358 1.00 0.00 C ATOM 957 CD LYS A 61 -16.610 3.990 0.055 1.00 0.00 C ATOM 958 CE LYS A 61 -17.442 4.965 0.873 1.00 0.00 C ATOM 959 NZ LYS A 61 -18.894 4.856 0.557 1.00 0.00 N ATOM 0 H LYS A 61 -13.891 4.132 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.823 6.023 -3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -14.337 5.007 -0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.454 6.343 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.288 4.987 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.183 3.660 -2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.113 3.024 0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.649 3.830 0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.286 4.774 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.104 5.983 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.427 5.537 1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.046 5.063 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.223 3.892 0.766 1.00 0.00 H new ATOM 973 N ALA A 62 -12.961 7.393 -2.544 1.00 0.00 N ATOM 974 CA ALA A 62 -12.239 8.657 -2.470 1.00 0.00 C ATOM 975 C ALA A 62 -12.131 9.309 -3.845 1.00 0.00 C ATOM 976 O ALA A 62 -11.868 8.637 -4.842 1.00 0.00 O ATOM 977 CB ALA A 62 -10.855 8.440 -1.877 1.00 0.00 C ATOM 0 H ALA A 62 -12.380 6.567 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.799 9.330 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.327 9.392 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.950 8.025 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.295 7.747 -2.504 1.00 0.00 H new ATOM 983 N SER A 63 -12.336 10.621 -3.890 1.00 0.00 N ATOM 984 CA SER A 63 -12.266 11.363 -5.144 1.00 0.00 C ATOM 985 C SER A 63 -10.841 11.373 -5.690 1.00 0.00 C ATOM 986 O SER A 63 -9.876 11.233 -4.940 1.00 0.00 O ATOM 987 CB SER A 63 -12.756 12.798 -4.940 1.00 0.00 C ATOM 988 OG SER A 63 -12.535 13.582 -6.099 1.00 0.00 O ATOM 0 H SER A 63 -12.552 11.192 -3.073 1.00 0.00 H new ATOM 0 HA SER A 63 -12.911 10.866 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.819 12.792 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.239 13.245 -4.091 1.00 0.00 H new ATOM 0 HG SER A 63 -12.858 14.494 -5.944 1.00 0.00 H new ATOM 994 N SER A 64 -10.719 11.541 -7.003 1.00 0.00 N ATOM 995 CA SER A 64 -9.414 11.566 -7.652 1.00 0.00 C ATOM 996 C SER A 64 -8.483 12.559 -6.962 1.00 0.00 C ATOM 997 O SER A 64 -7.335 12.238 -6.656 1.00 0.00 O ATOM 998 CB SER A 64 -9.563 11.932 -9.130 1.00 0.00 C ATOM 999 OG SER A 64 -10.679 11.277 -9.707 1.00 0.00 O ATOM 0 H SER A 64 -11.508 11.662 -7.638 1.00 0.00 H new ATOM 0 HA SER A 64 -8.978 10.570 -7.574 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.678 13.011 -9.231 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.657 11.657 -9.669 1.00 0.00 H new ATOM 0 HG SER A 64 -10.754 11.529 -10.651 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.988 13.764 -6.721 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.202 14.805 -6.068 1.00 0.00 C ATOM 1007 C GLN A 65 -7.774 14.367 -4.671 1.00 0.00 C ATOM 1008 O GLN A 65 -6.932 15.007 -4.042 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.005 16.104 -5.986 1.00 0.00 C ATOM 1010 CG GLN A 65 -9.154 16.813 -7.322 1.00 0.00 C ATOM 1011 CD GLN A 65 -10.282 16.245 -8.161 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -10.048 15.514 -9.124 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -11.515 16.580 -7.799 1.00 0.00 N ATOM 0 H GLN A 65 -9.937 14.044 -6.968 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.306 14.978 -6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.996 15.884 -5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.520 16.777 -5.279 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.334 17.874 -7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.219 16.735 -7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.663 17.189 -6.994 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.314 16.229 -8.326 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.360 13.274 -4.193 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.040 12.753 -2.869 1.00 0.00 C ATOM 1024 C GLU A 66 -6.861 11.787 -2.936 1.00 0.00 C ATOM 1025 O GLU A 66 -6.023 11.751 -2.034 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.257 12.049 -2.266 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.109 11.740 -0.785 1.00 0.00 C ATOM 1028 CD GLU A 66 -10.445 11.614 -0.080 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -11.454 11.339 -0.762 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -10.481 11.789 1.157 1.00 0.00 O ATOM 0 H GLU A 66 -9.058 12.732 -4.702 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.763 13.593 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.138 12.675 -2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.433 11.119 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.550 10.812 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.524 12.528 -0.310 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.803 11.006 -4.009 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.728 10.038 -4.193 1.00 0.00 C ATOM 1039 C ARG A 67 -4.460 10.722 -4.695 1.00 0.00 C ATOM 1040 O ARG A 67 -3.365 10.170 -4.598 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.157 8.949 -5.178 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.590 8.481 -4.983 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.158 7.880 -6.259 1.00 0.00 C ATOM 1044 NE ARG A 67 -7.169 7.078 -6.974 1.00 0.00 N ATOM 1045 CZ ARG A 67 -7.398 6.509 -8.153 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -8.575 6.654 -8.745 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -6.448 5.793 -8.741 1.00 0.00 N ATOM 0 H ARG A 67 -7.488 11.024 -4.765 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.515 9.581 -3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.042 9.325 -6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.488 8.095 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.627 7.741 -4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.209 9.321 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.020 7.259 -6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.515 8.679 -6.909 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.253 6.947 -6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.308 7.203 -8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.748 6.216 -9.650 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.541 5.679 -8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.625 5.357 -9.646 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.618 11.928 -5.231 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.486 12.688 -5.747 1.00 0.00 C ATOM 1063 C ALA A 68 -2.229 12.428 -4.924 1.00 0.00 C ATOM 1064 O ALA A 68 -1.202 11.982 -5.438 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.811 14.175 -5.761 1.00 0.00 C ATOM 0 H ALA A 68 -5.518 12.399 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.295 12.359 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.957 14.730 -6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.678 14.352 -6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.031 14.509 -4.747 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.308 12.712 -3.615 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.185 12.516 -2.693 1.00 0.00 C ATOM 1073 C PRO A 69 -0.881 11.041 -2.455 1.00 0.00 C ATOM 1074 O PRO A 69 0.262 10.603 -2.585 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.667 13.178 -1.401 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.154 13.119 -1.477 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.499 13.246 -2.935 1.00 0.00 C ATOM 0 HA PRO A 69 -0.259 12.937 -3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.294 12.651 -0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.315 14.207 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.529 12.181 -1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.607 13.923 -0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.394 12.678 -3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.690 14.282 -3.214 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.912 10.278 -2.106 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.754 8.852 -1.847 1.00 0.00 C ATOM 1087 C TYR A 70 -1.219 8.131 -3.080 1.00 0.00 C ATOM 1088 O TYR A 70 -0.744 6.998 -2.994 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.090 8.239 -1.424 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.695 8.890 -0.200 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.133 8.706 1.057 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.828 9.687 -0.301 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.682 9.298 2.178 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.383 10.284 0.814 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.807 10.086 2.051 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.357 10.678 3.165 1.00 0.00 O ATOM 0 H TYR A 70 -2.865 10.624 -1.996 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.034 8.733 -1.037 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.794 8.317 -2.252 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.946 7.177 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.252 8.090 1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.283 9.843 -1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.233 9.145 3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.263 10.902 0.717 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.144 11.200 2.903 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.298 8.796 -4.228 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.820 8.221 -5.480 1.00 0.00 C ATOM 1108 C VAL A 71 0.679 8.442 -5.649 1.00 0.00 C ATOM 1109 O VAL A 71 1.405 7.540 -6.065 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.557 8.823 -6.691 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -0.983 8.277 -7.990 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.049 8.544 -6.599 1.00 0.00 C ATOM 0 H VAL A 71 -1.689 9.734 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.023 7.151 -5.436 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.412 9.903 -6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.516 8.713 -8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.074 8.533 -8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.096 7.193 -8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.554 8.977 -7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.217 7.467 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.447 8.988 -5.686 1.00 0.00 H new ATOM 1122 N GLN A 72 1.134 9.647 -5.323 1.00 0.00 N ATOM 1123 CA GLN A 72 2.547 9.987 -5.440 1.00 0.00 C ATOM 1124 C GLN A 72 3.340 9.428 -4.263 1.00 0.00 C ATOM 1125 O GLN A 72 4.426 8.875 -4.438 1.00 0.00 O ATOM 1126 CB GLN A 72 2.725 11.504 -5.516 1.00 0.00 C ATOM 1127 CG GLN A 72 4.153 11.963 -5.267 1.00 0.00 C ATOM 1128 CD GLN A 72 5.080 11.636 -6.421 1.00 0.00 C ATOM 1129 OE1 GLN A 72 5.421 12.506 -7.224 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.493 10.378 -6.511 1.00 0.00 N ATOM 0 H GLN A 72 0.545 10.404 -4.976 1.00 0.00 H new ATOM 0 HA GLN A 72 2.928 9.538 -6.358 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.408 11.850 -6.500 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.068 11.976 -4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.160 13.039 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.529 11.492 -4.359 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.186 9.690 -5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.118 10.099 -7.267 1.00 0.00 H new ATOM 1139 N LYS A 73 2.791 9.577 -3.062 1.00 0.00 N ATOM 1140 CA LYS A 73 3.445 9.088 -1.855 1.00 0.00 C ATOM 1141 C LYS A 73 3.873 7.633 -2.019 1.00 0.00 C ATOM 1142 O LYS A 73 5.019 7.279 -1.747 1.00 0.00 O ATOM 1143 CB LYS A 73 2.508 9.222 -0.652 1.00 0.00 C ATOM 1144 CG LYS A 73 3.199 9.009 0.684 1.00 0.00 C ATOM 1145 CD LYS A 73 2.338 9.490 1.840 1.00 0.00 C ATOM 1146 CE LYS A 73 2.841 8.953 3.171 1.00 0.00 C ATOM 1147 NZ LYS A 73 4.057 9.674 3.637 1.00 0.00 N ATOM 0 H LYS A 73 1.893 10.033 -2.899 1.00 0.00 H new ATOM 0 HA LYS A 73 4.335 9.693 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.055 10.213 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.697 8.500 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.425 7.951 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.150 9.541 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.335 10.580 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.307 9.172 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.055 9.046 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.064 7.891 3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.368 9.278 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.816 9.565 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.838 10.684 3.756 1.00 0.00 H new ATOM 1161 N ALA A 74 2.944 6.795 -2.468 1.00 0.00 N ATOM 1162 CA ALA A 74 3.226 5.380 -2.672 1.00 0.00 C ATOM 1163 C ALA A 74 4.447 5.187 -3.564 1.00 0.00 C ATOM 1164 O ALA A 74 5.232 4.259 -3.367 1.00 0.00 O ATOM 1165 CB ALA A 74 2.015 4.681 -3.273 1.00 0.00 C ATOM 0 H ALA A 74 1.990 7.072 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 74 3.444 4.935 -1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.240 3.625 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.165 4.780 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.771 5.137 -4.233 1.00 0.00 H new ATOM 1171 N ARG A 75 4.601 6.068 -4.547 1.00 0.00 N ATOM 1172 CA ARG A 75 5.726 5.993 -5.472 1.00 0.00 C ATOM 1173 C ARG A 75 7.028 6.380 -4.776 1.00 0.00 C ATOM 1174 O ARG A 75 8.065 5.749 -4.982 1.00 0.00 O ATOM 1175 CB ARG A 75 5.487 6.907 -6.675 1.00 0.00 C ATOM 1176 CG ARG A 75 4.334 6.461 -7.559 1.00 0.00 C ATOM 1177 CD ARG A 75 3.881 7.576 -8.488 1.00 0.00 C ATOM 1178 NE ARG A 75 4.800 7.762 -9.608 1.00 0.00 N ATOM 1179 CZ ARG A 75 4.795 7.001 -10.697 1.00 0.00 C ATOM 1180 NH1 ARG A 75 3.925 6.008 -10.812 1.00 0.00 N ATOM 1181 NH2 ARG A 75 5.663 7.234 -11.674 1.00 0.00 N ATOM 0 H ARG A 75 3.961 6.842 -4.724 1.00 0.00 H new ATOM 0 HA ARG A 75 5.811 4.963 -5.819 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.291 7.918 -6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.397 6.951 -7.274 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.639 5.596 -8.148 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.498 6.143 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.886 7.348 -8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.801 8.506 -7.926 1.00 0.00 H new ATOM 0 HE ARG A 75 5.483 8.517 -9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.257 5.826 -10.063 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.924 5.426 -11.649 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.334 7.997 -11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.659 6.650 -12.510 1.00 0.00 H new ATOM 1195 N ASP A 76 6.966 7.420 -3.953 1.00 0.00 N ATOM 1196 CA ASP A 76 8.139 7.892 -3.226 1.00 0.00 C ATOM 1197 C ASP A 76 8.572 6.874 -2.175 1.00 0.00 C ATOM 1198 O ASP A 76 9.763 6.695 -1.924 1.00 0.00 O ATOM 1199 CB ASP A 76 7.847 9.238 -2.561 1.00 0.00 C ATOM 1200 CG ASP A 76 9.099 10.070 -2.365 1.00 0.00 C ATOM 1201 OD1 ASP A 76 10.174 9.480 -2.127 1.00 0.00 O ATOM 1202 OD2 ASP A 76 9.004 11.312 -2.450 1.00 0.00 O ATOM 0 H ASP A 76 6.115 7.953 -3.772 1.00 0.00 H new ATOM 0 HA ASP A 76 8.952 8.019 -3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.136 9.795 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.373 9.067 -1.595 1.00 0.00 H new ATOM 1207 N ASN A 77 7.596 6.212 -1.563 1.00 0.00 N ATOM 1208 CA ASN A 77 7.876 5.214 -0.537 1.00 0.00 C ATOM 1209 C ASN A 77 8.843 4.155 -1.058 1.00 0.00 C ATOM 1210 O ASN A 77 9.684 3.648 -0.315 1.00 0.00 O ATOM 1211 CB ASN A 77 6.577 4.551 -0.073 1.00 0.00 C ATOM 1212 CG ASN A 77 5.946 5.275 1.100 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.622 5.989 1.841 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.642 5.093 1.275 1.00 0.00 N ATOM 0 H ASN A 77 6.604 6.348 -1.759 1.00 0.00 H new ATOM 0 HA ASN A 77 8.340 5.720 0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.870 4.523 -0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.780 3.518 0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.162 5.554 2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.121 4.492 0.636 1.00 0.00 H new ATOM 1221 N ARG A 78 8.717 3.826 -2.340 1.00 0.00 N ATOM 1222 CA ARG A 78 9.579 2.827 -2.960 1.00 0.00 C ATOM 1223 C ARG A 78 11.030 3.298 -2.979 1.00 0.00 C ATOM 1224 O ARG A 78 11.955 2.494 -2.863 1.00 0.00 O ATOM 1225 CB ARG A 78 9.109 2.532 -4.386 1.00 0.00 C ATOM 1226 CG ARG A 78 7.685 2.006 -4.460 1.00 0.00 C ATOM 1227 CD ARG A 78 7.281 1.691 -5.892 1.00 0.00 C ATOM 1228 NE ARG A 78 7.246 2.889 -6.727 1.00 0.00 N ATOM 1229 CZ ARG A 78 7.267 2.861 -8.055 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.323 1.701 -8.696 1.00 0.00 N ATOM 1231 NH2 ARG A 78 7.233 3.994 -8.744 1.00 0.00 N ATOM 0 H ARG A 78 8.027 4.237 -2.969 1.00 0.00 H new ATOM 0 HA ARG A 78 9.519 1.914 -2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.182 3.443 -4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.781 1.802 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.596 1.107 -3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.001 2.745 -4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.983 0.973 -6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.299 1.218 -5.896 1.00 0.00 H new ATOM 0 HE ARG A 78 7.203 3.797 -6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.350 0.828 -8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.339 1.682 -9.716 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.191 4.888 -8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.249 3.972 -9.764 1.00 0.00 H new ATOM 1245 N ALA A 79 11.221 4.605 -3.127 1.00 0.00 N ATOM 1246 CA ALA A 79 12.559 5.182 -3.160 1.00 0.00 C ATOM 1247 C ALA A 79 13.246 5.053 -1.804 1.00 0.00 C ATOM 1248 O ALA A 79 14.377 4.576 -1.714 1.00 0.00 O ATOM 1249 CB ALA A 79 12.493 6.642 -3.584 1.00 0.00 C ATOM 0 H ALA A 79 10.466 5.284 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 79 13.149 4.629 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.499 7.061 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.050 6.713 -4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.882 7.200 -2.874 1.00 0.00 H new ATOM 1255 N ALA A 80 12.556 5.483 -0.753 1.00 0.00 N ATOM 1256 CA ALA A 80 13.099 5.414 0.598 1.00 0.00 C ATOM 1257 C ALA A 80 13.885 4.124 0.808 1.00 0.00 C ATOM 1258 O ALA A 80 14.993 4.141 1.345 1.00 0.00 O ATOM 1259 CB ALA A 80 11.981 5.527 1.623 1.00 0.00 C ATOM 0 H ALA A 80 11.620 5.883 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 80 13.784 6.251 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.401 5.474 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.465 6.479 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.274 4.709 1.482 1.00 0.00 H new