USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 864 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 71 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 36 HIS : no HD1:sc= -9.12! C(o=-12!,f=-5.1!) USER MOD Set 2.2: A 55 GLN : amide:sc= -3.09! K(o=-12!,f=-5.1) USER MOD Set 3.1: A 20 LYS NZ :NH3+ 155:sc= 0.715 (180deg=-1.05) USER MOD Set 3.2: A 44 GLN : amide:sc= -1.96! C(o=-1.2!,f=-16!) USER MOD Single : A 19 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.4!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 54:sc= 1.02 USER MOD Single : A 28 ASN : amide:sc= -6.53! C(o=-6.5!,f=-12!) USER MOD Single : A 29 HIS : no HD1:sc= -0.571 K(o=-0.57,f=-1.7) USER MOD Single : A 30 TYR OH : rot -148:sc= -0.468 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -150:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0305 K(o=-0.031,f=-1.6!) USER MOD Single : A 48 THR OG1 : rot -99:sc= 1.06 USER MOD Single : A 58 GLN : amide:sc= -0.443 K(o=-0.44,f=-1.9!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.83) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0716 K(o=-0.072,f=-2!) USER MOD Single : A 78 MET CE :methyl -117:sc= -1.39 (180deg=-1.64) USER MOD Single : A 81 ASN : amide:sc= -1.05 K(o=-1,f=-5.6!) USER MOD Single : A 85 CYS SG : rot 140:sc= -0.0503 USER MOD Single : A 87 ASN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 13:sc= 0.436 USER MOD Single : A 106 ASN : amide:sc= -0.585 X(o=-0.59,f=-0.15) USER MOD Single : A 108 ASN : amide:sc= 0.0481 K(o=0.048,f=-7!) USER MOD Single : A 110 LYS NZ :NH3+ 152:sc= -0.055 (180deg=-0.956) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 62:sc= 0.367 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.677 K(o=-0.68,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 2.330 16.519 -5.587 1.00 0.00 N ATOM 202 CA GLY A 15 1.656 16.971 -4.384 1.00 0.00 C ATOM 203 C GLY A 15 1.047 15.828 -3.596 1.00 0.00 C ATOM 204 O GLY A 15 0.790 14.754 -4.143 1.00 0.00 O ATOM 0 HA2 GLY A 15 2.366 17.506 -3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.873 17.680 -4.654 1.00 0.00 H new ATOM 208 N LEU A 16 0.816 16.056 -2.308 1.00 0.00 N ATOM 209 CA LEU A 16 0.234 15.036 -1.443 1.00 0.00 C ATOM 210 C LEU A 16 -0.786 14.195 -2.202 1.00 0.00 C ATOM 211 O LEU A 16 -0.667 12.972 -2.271 1.00 0.00 O ATOM 212 CB LEU A 16 -0.428 15.687 -0.227 1.00 0.00 C ATOM 213 CG LEU A 16 0.484 15.957 0.970 1.00 0.00 C ATOM 214 CD1 LEU A 16 -0.258 16.741 2.041 1.00 0.00 C ATOM 215 CD2 LEU A 16 1.020 14.651 1.538 1.00 0.00 C ATOM 0 H LEU A 16 1.023 16.938 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 16 1.037 14.381 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.870 16.632 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.246 15.047 0.102 1.00 0.00 H new ATOM 0 HG LEU A 16 1.329 16.556 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.407 16.924 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.592 17.694 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.122 16.169 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.667 14.863 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.188 14.026 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.590 14.127 0.771 1.00 0.00 H new ATOM 227 N GLU A 17 -1.787 14.859 -2.771 1.00 0.00 N ATOM 228 CA GLU A 17 -2.828 14.171 -3.527 1.00 0.00 C ATOM 229 C GLU A 17 -2.237 13.457 -4.739 1.00 0.00 C ATOM 230 O GLU A 17 -2.619 12.330 -5.056 1.00 0.00 O ATOM 231 CB GLU A 17 -3.901 15.163 -3.979 1.00 0.00 C ATOM 232 CG GLU A 17 -4.929 15.479 -2.905 1.00 0.00 C ATOM 233 CD GLU A 17 -4.332 16.228 -1.729 1.00 0.00 C ATOM 234 OE1 GLU A 17 -3.925 17.395 -1.915 1.00 0.00 O ATOM 235 OE2 GLU A 17 -4.272 15.649 -0.625 1.00 0.00 O ATOM 0 H GLU A 17 -1.899 15.872 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.284 13.426 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.419 16.089 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.413 14.759 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.732 16.074 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.376 14.550 -2.550 1.00 0.00 H new ATOM 242 N ASP A 18 -1.305 14.120 -5.413 1.00 0.00 N ATOM 243 CA ASP A 18 -0.660 13.550 -6.591 1.00 0.00 C ATOM 244 C ASP A 18 0.095 12.273 -6.232 1.00 0.00 C ATOM 245 O ASP A 18 0.213 11.361 -7.049 1.00 0.00 O ATOM 246 CB ASP A 18 0.297 14.565 -7.217 1.00 0.00 C ATOM 247 CG ASP A 18 -0.403 15.503 -8.180 1.00 0.00 C ATOM 248 OD1 ASP A 18 -1.014 16.487 -7.711 1.00 0.00 O ATOM 249 OD2 ASP A 18 -0.339 15.256 -9.402 1.00 0.00 O ATOM 0 H ASP A 18 -0.978 15.054 -5.164 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.436 13.301 -7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.772 15.148 -6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.091 14.035 -7.743 1.00 0.00 H new ATOM 254 N GLN A 19 0.604 12.218 -5.006 1.00 0.00 N ATOM 255 CA GLN A 19 1.350 11.055 -4.540 1.00 0.00 C ATOM 256 C GLN A 19 0.454 9.821 -4.486 1.00 0.00 C ATOM 257 O GLN A 19 0.862 8.727 -4.876 1.00 0.00 O ATOM 258 CB GLN A 19 1.949 11.326 -3.159 1.00 0.00 C ATOM 259 CG GLN A 19 2.936 12.482 -3.141 1.00 0.00 C ATOM 260 CD GLN A 19 4.004 12.321 -2.077 1.00 0.00 C ATOM 261 OE1 GLN A 19 3.921 11.433 -1.227 1.00 0.00 O ATOM 262 NE2 GLN A 19 5.015 13.180 -2.118 1.00 0.00 N ATOM 0 H GLN A 19 0.514 12.965 -4.317 1.00 0.00 H new ATOM 0 HA GLN A 19 2.158 10.865 -5.247 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.142 11.537 -2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.451 10.425 -2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.412 12.564 -4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.396 13.413 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.043 13.900 -2.840 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.763 13.120 -1.428 1.00 0.00 H new ATOM 271 N LYS A 20 -0.768 10.004 -3.999 1.00 0.00 N ATOM 272 CA LYS A 20 -1.723 8.907 -3.894 1.00 0.00 C ATOM 273 C LYS A 20 -1.760 8.092 -5.183 1.00 0.00 C ATOM 274 O LYS A 20 -1.802 6.863 -5.150 1.00 0.00 O ATOM 275 CB LYS A 20 -3.120 9.448 -3.580 1.00 0.00 C ATOM 276 CG LYS A 20 -4.231 8.442 -3.826 1.00 0.00 C ATOM 277 CD LYS A 20 -5.595 9.111 -3.843 1.00 0.00 C ATOM 278 CE LYS A 20 -6.715 8.098 -3.660 1.00 0.00 C ATOM 279 NZ LYS A 20 -8.023 8.759 -3.395 1.00 0.00 N ATOM 0 H LYS A 20 -1.121 10.903 -3.670 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.401 8.255 -3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.152 9.764 -2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.302 10.334 -4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.061 7.936 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.209 7.677 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.645 9.858 -3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.731 9.639 -4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.795 7.480 -4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.471 7.432 -2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.796 8.129 -3.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.109 8.963 -2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.078 9.648 -3.932 1.00 0.00 H new ATOM 293 N ARG A 21 -1.741 8.786 -6.317 1.00 0.00 N ATOM 294 CA ARG A 21 -1.772 8.126 -7.616 1.00 0.00 C ATOM 295 C ARG A 21 -0.514 7.291 -7.832 1.00 0.00 C ATOM 296 O ARG A 21 -0.592 6.096 -8.122 1.00 0.00 O ATOM 297 CB ARG A 21 -1.908 9.161 -8.734 1.00 0.00 C ATOM 298 CG ARG A 21 -2.517 8.603 -10.010 1.00 0.00 C ATOM 299 CD ARG A 21 -3.302 9.666 -10.764 1.00 0.00 C ATOM 300 NE ARG A 21 -4.390 10.216 -9.959 1.00 0.00 N ATOM 301 CZ ARG A 21 -5.577 9.633 -9.831 1.00 0.00 C ATOM 302 NH1 ARG A 21 -5.828 8.489 -10.452 1.00 0.00 N ATOM 303 NH2 ARG A 21 -6.516 10.195 -9.081 1.00 0.00 N ATOM 0 H ARG A 21 -1.704 9.804 -6.362 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.636 7.462 -7.637 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.523 9.988 -8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.923 9.570 -8.960 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.727 8.210 -10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.174 7.768 -9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.629 10.470 -11.062 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.709 9.235 -11.679 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.230 11.096 -9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.109 8.054 -11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.740 8.044 -10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.327 11.075 -8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.427 9.747 -8.983 1.00 0.00 H new ATOM 317 N ILE A 22 0.644 7.927 -7.689 1.00 0.00 N ATOM 318 CA ILE A 22 1.918 7.242 -7.868 1.00 0.00 C ATOM 319 C ILE A 22 1.886 5.850 -7.246 1.00 0.00 C ATOM 320 O ILE A 22 2.209 4.858 -7.901 1.00 0.00 O ATOM 321 CB ILE A 22 3.079 8.042 -7.248 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.179 9.424 -7.897 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.388 7.282 -7.403 1.00 0.00 C ATOM 324 CD1 ILE A 22 3.871 10.451 -7.029 1.00 0.00 C ATOM 0 H ILE A 22 0.726 8.915 -7.450 1.00 0.00 H new ATOM 0 HA ILE A 22 2.081 7.154 -8.942 1.00 0.00 H new ATOM 0 HB ILE A 22 2.882 8.175 -6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.718 9.335 -8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.176 9.778 -8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.199 7.860 -6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.311 6.319 -6.899 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.593 7.122 -8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.906 11.406 -7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.321 10.569 -6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.886 10.119 -6.812 1.00 0.00 H new ATOM 336 N TYR A 23 1.494 5.783 -5.979 1.00 0.00 N ATOM 337 CA TYR A 23 1.420 4.512 -5.268 1.00 0.00 C ATOM 338 C TYR A 23 0.299 3.640 -5.826 1.00 0.00 C ATOM 339 O TYR A 23 0.501 2.462 -6.122 1.00 0.00 O ATOM 340 CB TYR A 23 1.198 4.752 -3.774 1.00 0.00 C ATOM 341 CG TYR A 23 2.283 5.581 -3.126 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.622 5.233 -3.258 1.00 0.00 C ATOM 343 CD2 TYR A 23 1.971 6.711 -2.380 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.618 5.987 -2.667 1.00 0.00 C ATOM 345 CE2 TYR A 23 2.960 7.472 -1.787 1.00 0.00 C ATOM 346 CZ TYR A 23 4.282 7.105 -1.933 1.00 0.00 C ATOM 347 OH TYR A 23 5.270 7.859 -1.343 1.00 0.00 O ATOM 0 H TYR A 23 1.222 6.594 -5.423 1.00 0.00 H new ATOM 0 HA TYR A 23 2.367 3.990 -5.409 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.239 5.250 -3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.135 3.790 -3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.889 4.358 -3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.937 7.000 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.654 5.702 -2.779 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.700 8.349 -1.213 1.00 0.00 H new ATOM 0 HH TYR A 23 4.865 8.612 -0.864 1.00 0.00 H new ATOM 357 N THR A 24 -0.885 4.228 -5.969 1.00 0.00 N ATOM 358 CA THR A 24 -2.038 3.506 -6.491 1.00 0.00 C ATOM 359 C THR A 24 -1.645 2.614 -7.662 1.00 0.00 C ATOM 360 O THR A 24 -1.990 1.433 -7.698 1.00 0.00 O ATOM 361 CB THR A 24 -3.147 4.474 -6.947 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.655 5.202 -5.824 1.00 0.00 O ATOM 363 CG2 THR A 24 -4.280 3.718 -7.624 1.00 0.00 C ATOM 0 H THR A 24 -1.070 5.202 -5.730 1.00 0.00 H new ATOM 0 HA THR A 24 -2.417 2.887 -5.678 1.00 0.00 H new ATOM 0 HB THR A 24 -2.717 5.172 -7.666 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.913 5.632 -5.350 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.051 4.422 -7.937 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.895 3.190 -8.496 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.707 3.000 -6.924 1.00 0.00 H new ATOM 371 N ASP A 25 -0.920 3.185 -8.617 1.00 0.00 N ATOM 372 CA ASP A 25 -0.477 2.440 -9.790 1.00 0.00 C ATOM 373 C ASP A 25 0.646 1.473 -9.428 1.00 0.00 C ATOM 374 O ASP A 25 0.714 0.361 -9.951 1.00 0.00 O ATOM 375 CB ASP A 25 -0.008 3.400 -10.884 1.00 0.00 C ATOM 376 CG ASP A 25 0.303 2.688 -12.186 1.00 0.00 C ATOM 377 OD1 ASP A 25 -0.452 1.762 -12.549 1.00 0.00 O ATOM 378 OD2 ASP A 25 1.300 3.056 -12.841 1.00 0.00 O ATOM 0 H ASP A 25 -0.626 4.162 -8.602 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.323 1.862 -10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.779 4.151 -11.059 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.881 3.930 -10.542 1.00 0.00 H new ATOM 383 N TRP A 26 1.525 1.906 -8.531 1.00 0.00 N ATOM 384 CA TRP A 26 2.646 1.079 -8.100 1.00 0.00 C ATOM 385 C TRP A 26 2.157 -0.251 -7.536 1.00 0.00 C ATOM 386 O TRP A 26 2.734 -1.302 -7.812 1.00 0.00 O ATOM 387 CB TRP A 26 3.477 1.818 -7.049 1.00 0.00 C ATOM 388 CG TRP A 26 4.607 0.999 -6.502 1.00 0.00 C ATOM 389 CD1 TRP A 26 5.837 0.819 -7.067 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.609 0.248 -5.283 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.604 0.001 -6.272 1.00 0.00 N ATOM 392 CE2 TRP A 26 5.874 -0.362 -5.171 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.667 0.033 -4.273 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.218 -1.171 -4.092 1.00 0.00 C ATOM 395 CZ3 TRP A 26 4.009 -0.771 -3.203 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.276 -1.364 -3.118 1.00 0.00 C ATOM 0 H TRP A 26 1.483 2.824 -8.089 1.00 0.00 H new ATOM 0 HA TRP A 26 3.270 0.875 -8.970 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.879 2.730 -7.490 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.826 2.120 -6.228 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.160 1.255 -8.001 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.562 -0.289 -6.470 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.689 0.488 -4.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.193 -1.630 -4.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.288 -0.946 -2.418 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.514 -1.985 -2.267 1.00 0.00 H new ATOM 407 N ALA A 27 1.091 -0.197 -6.745 1.00 0.00 N ATOM 408 CA ALA A 27 0.523 -1.398 -6.145 1.00 0.00 C ATOM 409 C ALA A 27 -0.168 -2.262 -7.194 1.00 0.00 C ATOM 410 O ALA A 27 -0.061 -3.487 -7.171 1.00 0.00 O ATOM 411 CB ALA A 27 -0.453 -1.024 -5.039 1.00 0.00 C ATOM 0 H ALA A 27 0.603 0.666 -6.505 1.00 0.00 H new ATOM 0 HA ALA A 27 1.338 -1.979 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.870 -1.930 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.069 -0.455 -4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.259 -0.418 -5.454 1.00 0.00 H new ATOM 417 N ASN A 28 -0.879 -1.615 -8.112 1.00 0.00 N ATOM 418 CA ASN A 28 -1.589 -2.325 -9.169 1.00 0.00 C ATOM 419 C ASN A 28 -0.671 -3.325 -9.865 1.00 0.00 C ATOM 420 O ASN A 28 -1.041 -4.481 -10.077 1.00 0.00 O ATOM 421 CB ASN A 28 -2.149 -1.333 -10.191 1.00 0.00 C ATOM 422 CG ASN A 28 -3.546 -0.863 -9.836 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.490 -1.050 -10.604 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.684 -0.249 -8.667 1.00 0.00 N ATOM 0 H ASN A 28 -0.979 -0.600 -8.145 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.414 -2.873 -8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.485 -0.471 -10.258 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.165 -1.800 -11.176 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.600 0.089 -8.374 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.874 -0.116 -8.062 1.00 0.00 H new ATOM 431 N HIS A 29 0.529 -2.874 -10.217 1.00 0.00 N ATOM 432 CA HIS A 29 1.501 -3.729 -10.888 1.00 0.00 C ATOM 433 C HIS A 29 1.598 -5.086 -10.197 1.00 0.00 C ATOM 434 O HIS A 29 1.744 -6.118 -10.852 1.00 0.00 O ATOM 435 CB HIS A 29 2.874 -3.056 -10.911 1.00 0.00 C ATOM 436 CG HIS A 29 4.015 -4.025 -10.967 1.00 0.00 C ATOM 437 ND1 HIS A 29 4.079 -5.061 -11.875 1.00 0.00 N ATOM 438 CD2 HIS A 29 5.142 -4.109 -10.223 1.00 0.00 C ATOM 439 CE1 HIS A 29 5.194 -5.742 -11.685 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.858 -5.185 -10.688 1.00 0.00 N ATOM 0 H HIS A 29 0.851 -1.921 -10.048 1.00 0.00 H new ATOM 0 HA HIS A 29 1.165 -3.886 -11.913 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.930 -2.392 -11.773 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.980 -2.434 -10.022 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.426 -3.452 -9.414 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.510 -6.607 -12.249 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.756 -5.502 -10.323 1.00 0.00 H new ATOM 449 N TYR A 30 1.518 -5.077 -8.871 1.00 0.00 N ATOM 450 CA TYR A 30 1.600 -6.306 -8.091 1.00 0.00 C ATOM 451 C TYR A 30 0.266 -7.047 -8.101 1.00 0.00 C ATOM 452 O TYR A 30 0.214 -8.258 -7.879 1.00 0.00 O ATOM 453 CB TYR A 30 2.013 -5.995 -6.652 1.00 0.00 C ATOM 454 CG TYR A 30 3.381 -5.362 -6.538 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.534 -6.131 -6.644 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.522 -3.997 -6.322 1.00 0.00 C ATOM 457 CE1 TYR A 30 5.787 -5.558 -6.539 1.00 0.00 C ATOM 458 CE2 TYR A 30 4.770 -3.415 -6.218 1.00 0.00 C ATOM 459 CZ TYR A 30 5.899 -4.199 -6.327 1.00 0.00 C ATOM 460 OH TYR A 30 7.145 -3.624 -6.222 1.00 0.00 O ATOM 0 H TYR A 30 1.396 -4.231 -8.314 1.00 0.00 H new ATOM 0 HA TYR A 30 2.354 -6.947 -8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.275 -5.328 -6.207 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.999 -6.917 -6.072 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.449 -7.195 -6.811 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.640 -3.380 -6.234 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.673 -6.170 -6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.861 -2.352 -6.052 1.00 0.00 H new ATOM 0 HH TYR A 30 7.103 -2.862 -5.607 1.00 0.00 H new ATOM 470 N LEU A 31 -0.809 -6.313 -8.361 1.00 0.00 N ATOM 471 CA LEU A 31 -2.145 -6.899 -8.401 1.00 0.00 C ATOM 472 C LEU A 31 -2.387 -7.611 -9.728 1.00 0.00 C ATOM 473 O LEU A 31 -2.692 -8.803 -9.757 1.00 0.00 O ATOM 474 CB LEU A 31 -3.205 -5.817 -8.188 1.00 0.00 C ATOM 475 CG LEU A 31 -3.545 -5.487 -6.734 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.620 -4.413 -6.668 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.992 -6.739 -5.994 1.00 0.00 C ATOM 0 H LEU A 31 -0.783 -5.311 -8.547 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.218 -7.632 -7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.866 -4.904 -8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.120 -6.128 -8.692 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.648 -5.104 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.849 -4.191 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.262 -3.509 -7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.520 -4.768 -7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.230 -6.486 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.876 -7.152 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.190 -7.477 -6.011 1.00 0.00 H new ATOM 489 N ALA A 32 -2.248 -6.872 -10.824 1.00 0.00 N ATOM 490 CA ALA A 32 -2.448 -7.433 -12.154 1.00 0.00 C ATOM 491 C ALA A 32 -1.513 -8.614 -12.398 1.00 0.00 C ATOM 492 O ALA A 32 -1.943 -9.677 -12.847 1.00 0.00 O ATOM 493 CB ALA A 32 -2.237 -6.364 -13.215 1.00 0.00 C ATOM 0 H ALA A 32 -1.998 -5.883 -10.817 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.474 -7.795 -12.218 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.390 -6.797 -14.203 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.948 -5.553 -13.061 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.221 -5.975 -13.142 1.00 0.00 H new ATOM 499 N LYS A 33 -0.233 -8.420 -12.099 1.00 0.00 N ATOM 500 CA LYS A 33 0.763 -9.469 -12.285 1.00 0.00 C ATOM 501 C LYS A 33 0.304 -10.775 -11.645 1.00 0.00 C ATOM 502 O LYS A 33 0.545 -11.858 -12.180 1.00 0.00 O ATOM 503 CB LYS A 33 2.104 -9.039 -11.685 1.00 0.00 C ATOM 504 CG LYS A 33 2.173 -9.194 -10.176 1.00 0.00 C ATOM 505 CD LYS A 33 3.518 -8.744 -9.630 1.00 0.00 C ATOM 506 CE LYS A 33 4.608 -9.762 -9.928 1.00 0.00 C ATOM 507 NZ LYS A 33 5.965 -9.223 -9.634 1.00 0.00 N ATOM 0 H LYS A 33 0.139 -7.546 -11.727 1.00 0.00 H new ATOM 0 HA LYS A 33 0.886 -9.633 -13.356 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.901 -9.628 -12.139 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.291 -7.997 -11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.378 -8.610 -9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.001 -10.236 -9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.787 -7.783 -10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.443 -8.594 -8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.438 -10.661 -9.335 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.553 -10.057 -10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.680 -9.946 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.138 -8.380 -10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.026 -8.966 -8.628 1.00 0.00 H new ATOM 521 N SER A 34 -0.360 -10.666 -10.499 1.00 0.00 N ATOM 522 CA SER A 34 -0.851 -11.840 -9.786 1.00 0.00 C ATOM 523 C SER A 34 -2.278 -12.174 -10.208 1.00 0.00 C ATOM 524 O SER A 34 -3.076 -12.661 -9.408 1.00 0.00 O ATOM 525 CB SER A 34 -0.796 -11.604 -8.275 1.00 0.00 C ATOM 526 OG SER A 34 0.533 -11.703 -7.791 1.00 0.00 O ATOM 0 H SER A 34 -0.570 -9.778 -10.044 1.00 0.00 H new ATOM 0 HA SER A 34 -0.209 -12.684 -10.039 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.198 -10.618 -8.043 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.427 -12.333 -7.767 1.00 0.00 H new ATOM 0 HG SER A 34 0.521 -12.023 -6.865 1.00 0.00 H new ATOM 532 N GLY A 35 -2.593 -11.908 -11.472 1.00 0.00 N ATOM 533 CA GLY A 35 -3.923 -12.187 -11.980 1.00 0.00 C ATOM 534 C GLY A 35 -5.014 -11.699 -11.047 1.00 0.00 C ATOM 535 O GLY A 35 -5.828 -12.487 -10.565 1.00 0.00 O ATOM 0 H GLY A 35 -1.950 -11.504 -12.153 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.043 -11.713 -12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.033 -13.261 -12.132 1.00 0.00 H new ATOM 539 N HIS A 36 -5.031 -10.394 -10.790 1.00 0.00 N ATOM 540 CA HIS A 36 -6.029 -9.802 -9.908 1.00 0.00 C ATOM 541 C HIS A 36 -6.839 -8.737 -10.641 1.00 0.00 C ATOM 542 O HIS A 36 -6.504 -7.553 -10.606 1.00 0.00 O ATOM 543 CB HIS A 36 -5.356 -9.191 -8.679 1.00 0.00 C ATOM 544 CG HIS A 36 -6.324 -8.649 -7.672 1.00 0.00 C ATOM 545 ND1 HIS A 36 -7.065 -9.453 -6.833 1.00 0.00 N ATOM 546 CD2 HIS A 36 -6.669 -7.375 -7.372 1.00 0.00 C ATOM 547 CE1 HIS A 36 -7.826 -8.698 -6.061 1.00 0.00 C ATOM 548 NE2 HIS A 36 -7.604 -7.432 -6.368 1.00 0.00 N ATOM 0 H HIS A 36 -4.365 -9.728 -11.180 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.708 -10.592 -9.586 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.734 -9.948 -8.202 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.692 -8.389 -9.000 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.281 -6.480 -7.836 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.513 -9.055 -5.307 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.054 -6.628 -5.930 1.00 0.00 H new ATOM 557 N LYS A 37 -7.907 -9.167 -11.306 1.00 0.00 N ATOM 558 CA LYS A 37 -8.766 -8.251 -12.047 1.00 0.00 C ATOM 559 C LYS A 37 -8.933 -6.934 -11.297 1.00 0.00 C ATOM 560 O LYS A 37 -8.348 -5.917 -11.672 1.00 0.00 O ATOM 561 CB LYS A 37 -10.136 -8.889 -12.291 1.00 0.00 C ATOM 562 CG LYS A 37 -10.124 -9.962 -13.365 1.00 0.00 C ATOM 563 CD LYS A 37 -10.380 -9.375 -14.743 1.00 0.00 C ATOM 564 CE LYS A 37 -11.867 -9.330 -15.063 1.00 0.00 C ATOM 565 NZ LYS A 37 -12.341 -10.603 -15.674 1.00 0.00 N ATOM 0 H LYS A 37 -8.198 -10.144 -11.347 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.292 -8.044 -13.006 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.496 -9.324 -11.359 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.845 -8.111 -12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.161 -10.473 -13.359 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.884 -10.711 -13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.965 -8.368 -14.793 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.863 -9.971 -15.495 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.429 -9.134 -14.150 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.067 -8.503 -15.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.359 -10.533 -15.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.822 -10.778 -16.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.173 -11.389 -15.013 1.00 0.00 H new ATOM 579 N ARG A 38 -9.734 -6.959 -10.237 1.00 0.00 N ATOM 580 CA ARG A 38 -9.977 -5.766 -9.435 1.00 0.00 C ATOM 581 C ARG A 38 -8.703 -4.940 -9.289 1.00 0.00 C ATOM 582 O ARG A 38 -7.595 -5.479 -9.301 1.00 0.00 O ATOM 583 CB ARG A 38 -10.506 -6.154 -8.053 1.00 0.00 C ATOM 584 CG ARG A 38 -11.003 -4.972 -7.237 1.00 0.00 C ATOM 585 CD ARG A 38 -11.363 -5.386 -5.819 1.00 0.00 C ATOM 586 NE ARG A 38 -12.722 -5.915 -5.732 1.00 0.00 N ATOM 587 CZ ARG A 38 -13.377 -6.074 -4.587 1.00 0.00 C ATOM 588 NH1 ARG A 38 -12.801 -5.745 -3.439 1.00 0.00 N ATOM 589 NH2 ARG A 38 -14.611 -6.561 -4.589 1.00 0.00 N ATOM 0 H ARG A 38 -10.226 -7.792 -9.914 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.725 -5.161 -9.947 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.319 -6.870 -8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.715 -6.660 -7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.234 -4.200 -7.208 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.876 -4.535 -7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.657 -6.140 -5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.265 -4.527 -5.155 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.194 -6.177 -6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.853 -5.369 -3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.306 -5.868 -2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.058 -6.814 -5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.113 -6.683 -3.709 1.00 0.00 H new ATOM 603 N LEU A 39 -8.867 -3.629 -9.152 1.00 0.00 N ATOM 604 CA LEU A 39 -7.729 -2.727 -9.004 1.00 0.00 C ATOM 605 C LEU A 39 -7.940 -1.771 -7.834 1.00 0.00 C ATOM 606 O LEU A 39 -8.959 -1.834 -7.145 1.00 0.00 O ATOM 607 CB LEU A 39 -7.513 -1.932 -10.294 1.00 0.00 C ATOM 608 CG LEU A 39 -6.977 -2.723 -11.487 1.00 0.00 C ATOM 609 CD1 LEU A 39 -6.771 -1.808 -12.685 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.678 -3.426 -11.121 1.00 0.00 C ATOM 0 H LEU A 39 -9.776 -3.167 -9.140 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.843 -3.329 -8.802 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.462 -1.478 -10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.821 -1.117 -10.083 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.713 -3.480 -11.756 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.389 -2.389 -13.525 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.721 -1.351 -12.962 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.055 -1.028 -12.428 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.311 -3.984 -11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.935 -2.686 -10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.856 -4.112 -10.293 1.00 0.00 H new ATOM 622 N ILE A 40 -6.973 -0.886 -7.618 1.00 0.00 N ATOM 623 CA ILE A 40 -7.055 0.084 -6.534 1.00 0.00 C ATOM 624 C ILE A 40 -7.524 1.442 -7.045 1.00 0.00 C ATOM 625 O ILE A 40 -6.852 2.076 -7.860 1.00 0.00 O ATOM 626 CB ILE A 40 -5.697 0.256 -5.828 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.321 -1.026 -5.081 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.743 1.438 -4.872 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.860 -1.093 -4.694 1.00 0.00 C ATOM 0 H ILE A 40 -6.124 -0.821 -8.179 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.781 -0.303 -5.819 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.934 0.453 -6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.931 -1.105 -4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.563 -1.886 -5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.776 1.547 -4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.972 2.347 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.515 1.269 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.665 -2.028 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.243 -1.046 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.617 -0.253 -4.043 1.00 0.00 H new ATOM 641 N ARG A 41 -8.680 1.884 -6.561 1.00 0.00 N ATOM 642 CA ARG A 41 -9.239 3.167 -6.969 1.00 0.00 C ATOM 643 C ARG A 41 -8.724 4.293 -6.076 1.00 0.00 C ATOM 644 O ARG A 41 -8.044 5.206 -6.542 1.00 0.00 O ATOM 645 CB ARG A 41 -10.767 3.121 -6.920 1.00 0.00 C ATOM 646 CG ARG A 41 -11.389 2.310 -8.045 1.00 0.00 C ATOM 647 CD ARG A 41 -12.908 2.362 -7.996 1.00 0.00 C ATOM 648 NE ARG A 41 -13.465 1.298 -7.167 1.00 0.00 N ATOM 649 CZ ARG A 41 -14.730 1.268 -6.762 1.00 0.00 C ATOM 650 NH1 ARG A 41 -15.564 2.239 -7.108 1.00 0.00 N ATOM 651 NH2 ARG A 41 -15.163 0.265 -6.008 1.00 0.00 N ATOM 0 H ARG A 41 -9.248 1.372 -5.886 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.921 3.364 -7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.079 2.699 -5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.154 4.139 -6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.042 2.692 -9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.057 1.274 -7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.225 3.329 -7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.306 2.280 -9.007 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.850 0.536 -6.883 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.235 3.012 -7.687 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.535 2.213 -6.796 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.524 -0.483 -5.739 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.134 0.243 -5.698 1.00 0.00 H new ATOM 665 N ASP A 42 -9.055 4.220 -4.792 1.00 0.00 N ATOM 666 CA ASP A 42 -8.626 5.232 -3.833 1.00 0.00 C ATOM 667 C ASP A 42 -7.678 4.633 -2.799 1.00 0.00 C ATOM 668 O ASP A 42 -8.113 4.015 -1.826 1.00 0.00 O ATOM 669 CB ASP A 42 -9.838 5.849 -3.135 1.00 0.00 C ATOM 670 CG ASP A 42 -10.776 6.540 -4.105 1.00 0.00 C ATOM 671 OD1 ASP A 42 -10.281 7.145 -5.078 1.00 0.00 O ATOM 672 OD2 ASP A 42 -12.005 6.476 -3.891 1.00 0.00 O ATOM 0 H ASP A 42 -9.619 3.471 -4.391 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.094 6.012 -4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.382 5.070 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.497 6.568 -2.390 1.00 0.00 H new ATOM 677 N LEU A 43 -6.380 4.820 -3.015 1.00 0.00 N ATOM 678 CA LEU A 43 -5.369 4.298 -2.102 1.00 0.00 C ATOM 679 C LEU A 43 -5.799 4.483 -0.651 1.00 0.00 C ATOM 680 O LEU A 43 -5.362 3.747 0.234 1.00 0.00 O ATOM 681 CB LEU A 43 -4.029 4.994 -2.343 1.00 0.00 C ATOM 682 CG LEU A 43 -2.797 4.295 -1.767 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.605 2.932 -2.415 1.00 0.00 C ATOM 684 CD2 LEU A 43 -1.557 5.157 -1.958 1.00 0.00 C ATOM 0 H LEU A 43 -6.003 5.329 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.256 3.231 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.889 5.106 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.083 5.998 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.953 4.148 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.724 2.449 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.483 2.313 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.471 3.056 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.690 4.644 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.398 5.335 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.694 6.110 -1.447 1.00 0.00 H new ATOM 696 N GLN A 44 -6.658 5.470 -0.414 1.00 0.00 N ATOM 697 CA GLN A 44 -7.147 5.750 0.930 1.00 0.00 C ATOM 698 C GLN A 44 -8.215 4.742 1.342 1.00 0.00 C ATOM 699 O GLN A 44 -8.243 4.285 2.484 1.00 0.00 O ATOM 700 CB GLN A 44 -7.712 7.169 1.005 1.00 0.00 C ATOM 701 CG GLN A 44 -6.690 8.249 0.687 1.00 0.00 C ATOM 702 CD GLN A 44 -7.325 9.508 0.132 1.00 0.00 C ATOM 703 OE1 GLN A 44 -7.560 9.621 -1.072 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.608 10.465 1.008 1.00 0.00 N ATOM 0 H GLN A 44 -7.029 6.088 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.307 5.664 1.620 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.548 7.256 0.310 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.110 7.340 2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.134 8.495 1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.970 7.862 -0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.397 10.330 1.997 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.037 11.335 0.692 1.00 0.00 H new ATOM 713 N GLN A 45 -9.093 4.401 0.404 1.00 0.00 N ATOM 714 CA GLN A 45 -10.164 3.448 0.670 1.00 0.00 C ATOM 715 C GLN A 45 -9.668 2.014 0.515 1.00 0.00 C ATOM 716 O GLN A 45 -9.914 1.166 1.372 1.00 0.00 O ATOM 717 CB GLN A 45 -11.343 3.697 -0.272 1.00 0.00 C ATOM 718 CG GLN A 45 -11.882 5.117 -0.209 1.00 0.00 C ATOM 719 CD GLN A 45 -12.752 5.358 1.009 1.00 0.00 C ATOM 720 OE1 GLN A 45 -13.235 4.415 1.638 1.00 0.00 O ATOM 721 NE2 GLN A 45 -12.957 6.625 1.350 1.00 0.00 N ATOM 0 H GLN A 45 -9.084 4.770 -0.547 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.494 3.590 1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.033 3.480 -1.294 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.146 3.001 -0.028 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.047 5.818 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.460 5.322 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.538 7.375 0.801 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.534 6.848 2.161 1.00 0.00 H new ATOM 730 N ASP A 46 -8.969 1.751 -0.584 1.00 0.00 N ATOM 731 CA ASP A 46 -8.438 0.420 -0.852 1.00 0.00 C ATOM 732 C ASP A 46 -7.707 -0.129 0.370 1.00 0.00 C ATOM 733 O ASP A 46 -7.491 -1.336 0.486 1.00 0.00 O ATOM 734 CB ASP A 46 -7.492 0.457 -2.053 1.00 0.00 C ATOM 735 CG ASP A 46 -6.054 0.720 -1.650 1.00 0.00 C ATOM 736 OD1 ASP A 46 -5.828 1.612 -0.806 1.00 0.00 O ATOM 737 OD2 ASP A 46 -5.154 0.034 -2.179 1.00 0.00 O ATOM 0 H ASP A 46 -8.757 2.442 -1.303 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.276 -0.239 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.549 -0.492 -2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.820 1.232 -2.746 1.00 0.00 H new ATOM 742 N VAL A 47 -7.328 0.764 1.278 1.00 0.00 N ATOM 743 CA VAL A 47 -6.621 0.370 2.491 1.00 0.00 C ATOM 744 C VAL A 47 -7.456 0.662 3.732 1.00 0.00 C ATOM 745 O VAL A 47 -6.933 1.101 4.757 1.00 0.00 O ATOM 746 CB VAL A 47 -5.268 1.095 2.613 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.419 0.853 1.375 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.480 2.584 2.842 1.00 0.00 C ATOM 0 H VAL A 47 -7.499 1.766 1.197 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.444 -0.703 2.420 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.735 0.691 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.467 1.373 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.238 -0.216 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.943 1.228 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.513 3.080 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.033 3.006 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.046 2.734 3.762 1.00 0.00 H new ATOM 758 N THR A 48 -8.759 0.414 3.635 1.00 0.00 N ATOM 759 CA THR A 48 -9.667 0.651 4.750 1.00 0.00 C ATOM 760 C THR A 48 -9.935 -0.635 5.523 1.00 0.00 C ATOM 761 O THR A 48 -10.178 -0.605 6.730 1.00 0.00 O ATOM 762 CB THR A 48 -11.008 1.236 4.267 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.481 0.504 3.130 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.859 2.705 3.905 1.00 0.00 C ATOM 0 H THR A 48 -9.209 0.049 2.795 1.00 0.00 H new ATOM 0 HA THR A 48 -9.180 1.372 5.407 1.00 0.00 H new ATOM 0 HB THR A 48 -11.730 1.150 5.079 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.252 0.989 2.310 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.819 3.096 3.567 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.528 3.264 4.780 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.123 2.810 3.108 1.00 0.00 H new ATOM 772 N ASP A 49 -9.889 -1.762 4.822 1.00 0.00 N ATOM 773 CA ASP A 49 -10.125 -3.060 5.444 1.00 0.00 C ATOM 774 C ASP A 49 -8.814 -3.814 5.643 1.00 0.00 C ATOM 775 O ASP A 49 -8.749 -4.778 6.404 1.00 0.00 O ATOM 776 CB ASP A 49 -11.081 -3.892 4.589 1.00 0.00 C ATOM 777 CG ASP A 49 -12.451 -3.255 4.464 1.00 0.00 C ATOM 778 OD1 ASP A 49 -12.519 -2.065 4.092 1.00 0.00 O ATOM 779 OD2 ASP A 49 -13.455 -3.945 4.741 1.00 0.00 O ATOM 0 H ASP A 49 -9.690 -1.803 3.822 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.577 -2.890 6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.653 -4.024 3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.184 -4.885 5.026 1.00 0.00 H new ATOM 784 N GLY A 50 -7.769 -3.367 4.952 1.00 0.00 N ATOM 785 CA GLY A 50 -6.474 -4.012 5.065 1.00 0.00 C ATOM 786 C GLY A 50 -6.353 -5.232 4.174 1.00 0.00 C ATOM 787 O GLY A 50 -5.250 -5.708 3.908 1.00 0.00 O ATOM 0 H GLY A 50 -7.797 -2.570 4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.692 -3.298 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.307 -4.305 6.101 1.00 0.00 H new ATOM 791 N VAL A 51 -7.491 -5.741 3.714 1.00 0.00 N ATOM 792 CA VAL A 51 -7.509 -6.914 2.848 1.00 0.00 C ATOM 793 C VAL A 51 -6.833 -6.622 1.513 1.00 0.00 C ATOM 794 O VAL A 51 -5.856 -7.276 1.144 1.00 0.00 O ATOM 795 CB VAL A 51 -8.948 -7.398 2.587 1.00 0.00 C ATOM 796 CG1 VAL A 51 -8.948 -8.592 1.645 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.640 -7.742 3.897 1.00 0.00 C ATOM 0 H VAL A 51 -8.413 -5.360 3.926 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.959 -7.699 3.367 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.503 -6.590 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.973 -8.920 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.494 -8.307 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.377 -9.407 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.655 -8.082 3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.087 -8.533 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.674 -6.858 4.534 1.00 0.00 H new ATOM 807 N LEU A 52 -7.358 -5.638 0.793 1.00 0.00 N ATOM 808 CA LEU A 52 -6.804 -5.258 -0.502 1.00 0.00 C ATOM 809 C LEU A 52 -5.372 -4.754 -0.356 1.00 0.00 C ATOM 810 O LEU A 52 -4.535 -4.966 -1.235 1.00 0.00 O ATOM 811 CB LEU A 52 -7.672 -4.179 -1.153 1.00 0.00 C ATOM 812 CG LEU A 52 -7.703 -4.174 -2.682 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.534 -3.009 -3.195 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.290 -4.113 -3.244 1.00 0.00 C ATOM 0 H LEU A 52 -8.167 -5.088 1.083 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.795 -6.143 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.693 -4.294 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.321 -3.205 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.167 -5.101 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.545 -3.022 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.554 -3.097 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.100 -2.072 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.331 -4.110 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.799 -3.203 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.726 -4.982 -2.905 1.00 0.00 H new ATOM 826 N LEU A 53 -5.095 -4.089 0.761 1.00 0.00 N ATOM 827 CA LEU A 53 -3.762 -3.558 1.024 1.00 0.00 C ATOM 828 C LEU A 53 -2.721 -4.672 1.022 1.00 0.00 C ATOM 829 O LEU A 53 -1.668 -4.550 0.397 1.00 0.00 O ATOM 830 CB LEU A 53 -3.740 -2.826 2.367 1.00 0.00 C ATOM 831 CG LEU A 53 -2.407 -2.838 3.116 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.288 -2.326 2.223 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.501 -2.005 4.386 1.00 0.00 C ATOM 0 H LEU A 53 -5.775 -3.905 1.498 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.515 -2.855 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.029 -1.789 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.500 -3.268 3.011 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.179 -3.867 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.347 -2.342 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.204 -2.963 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.509 -1.305 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.543 -2.025 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.753 -0.976 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.275 -2.416 5.034 1.00 0.00 H new ATOM 845 N ALA A 54 -3.024 -5.760 1.724 1.00 0.00 N ATOM 846 CA ALA A 54 -2.117 -6.898 1.799 1.00 0.00 C ATOM 847 C ALA A 54 -1.936 -7.548 0.431 1.00 0.00 C ATOM 848 O ALA A 54 -0.822 -7.899 0.044 1.00 0.00 O ATOM 849 CB ALA A 54 -2.630 -7.916 2.806 1.00 0.00 C ATOM 0 H ALA A 54 -3.891 -5.876 2.249 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.144 -6.534 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.943 -8.761 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.700 -7.451 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.616 -8.266 2.499 1.00 0.00 H new ATOM 855 N GLN A 55 -3.039 -7.704 -0.294 1.00 0.00 N ATOM 856 CA GLN A 55 -3.001 -8.314 -1.618 1.00 0.00 C ATOM 857 C GLN A 55 -1.735 -7.911 -2.367 1.00 0.00 C ATOM 858 O GLN A 55 -1.229 -8.663 -3.201 1.00 0.00 O ATOM 859 CB GLN A 55 -4.236 -7.908 -2.425 1.00 0.00 C ATOM 860 CG GLN A 55 -5.524 -8.543 -1.926 1.00 0.00 C ATOM 861 CD GLN A 55 -6.573 -8.668 -3.013 1.00 0.00 C ATOM 862 OE1 GLN A 55 -6.836 -9.761 -3.514 1.00 0.00 O ATOM 863 NE2 GLN A 55 -7.178 -7.545 -3.384 1.00 0.00 N ATOM 0 H GLN A 55 -3.969 -7.417 0.012 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.997 -9.397 -1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.340 -6.823 -2.394 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.085 -8.184 -3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.305 -9.532 -1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.925 -7.946 -1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.928 -6.661 -2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.892 -7.567 -4.112 1.00 0.00 H new ATOM 872 N ILE A 56 -1.228 -6.720 -2.065 1.00 0.00 N ATOM 873 CA ILE A 56 -0.021 -6.219 -2.709 1.00 0.00 C ATOM 874 C ILE A 56 1.222 -6.577 -1.902 1.00 0.00 C ATOM 875 O ILE A 56 2.186 -7.123 -2.439 1.00 0.00 O ATOM 876 CB ILE A 56 -0.076 -4.691 -2.895 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.201 -4.312 -3.860 1.00 0.00 C ATOM 878 CG2 ILE A 56 1.261 -4.171 -3.402 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.539 -4.117 -3.181 1.00 0.00 C ATOM 0 H ILE A 56 -1.635 -6.085 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 56 0.035 -6.695 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.281 -4.230 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.929 -3.393 -4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.297 -5.090 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.207 -3.090 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.042 -4.413 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.493 -4.637 -4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.289 -3.850 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.833 -5.042 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.460 -3.318 -2.443 1.00 0.00 H new ATOM 891 N ILE A 57 1.192 -6.268 -0.610 1.00 0.00 N ATOM 892 CA ILE A 57 2.315 -6.560 0.271 1.00 0.00 C ATOM 893 C ILE A 57 2.760 -8.012 0.132 1.00 0.00 C ATOM 894 O ILE A 57 3.926 -8.290 -0.145 1.00 0.00 O ATOM 895 CB ILE A 57 1.962 -6.282 1.744 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.513 -4.830 1.918 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.154 -6.584 2.641 1.00 0.00 C ATOM 898 CD1 ILE A 57 0.932 -4.536 3.284 1.00 0.00 C ATOM 0 H ILE A 57 0.402 -5.815 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 57 3.131 -5.902 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 57 1.139 -6.935 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.364 -4.172 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.769 -4.595 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.889 -6.383 3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.433 -7.632 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.995 -5.954 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.635 -3.488 3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.061 -5.169 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.681 -4.739 4.049 1.00 0.00 H new ATOM 910 N GLN A 58 1.821 -8.933 0.325 1.00 0.00 N ATOM 911 CA GLN A 58 2.117 -10.357 0.219 1.00 0.00 C ATOM 912 C GLN A 58 2.803 -10.675 -1.105 1.00 0.00 C ATOM 913 O GLN A 58 3.624 -11.588 -1.188 1.00 0.00 O ATOM 914 CB GLN A 58 0.832 -11.177 0.352 1.00 0.00 C ATOM 915 CG GLN A 58 0.206 -11.108 1.735 1.00 0.00 C ATOM 916 CD GLN A 58 -1.129 -11.823 1.808 1.00 0.00 C ATOM 917 OE1 GLN A 58 -2.078 -11.330 2.418 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.209 -12.992 1.184 1.00 0.00 N ATOM 0 H GLN A 58 0.851 -8.719 0.555 1.00 0.00 H new ATOM 0 HA GLN A 58 2.795 -10.622 1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.108 -10.825 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.049 -12.218 0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.890 -11.548 2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.070 -10.064 2.017 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.397 -13.363 0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.082 -13.519 1.198 1.00 0.00 H new ATOM 927 N VAL A 59 2.460 -9.914 -2.141 1.00 0.00 N ATOM 928 CA VAL A 59 3.043 -10.114 -3.462 1.00 0.00 C ATOM 929 C VAL A 59 4.461 -9.557 -3.527 1.00 0.00 C ATOM 930 O VAL A 59 5.430 -10.309 -3.635 1.00 0.00 O ATOM 931 CB VAL A 59 2.191 -9.447 -4.558 1.00 0.00 C ATOM 932 CG1 VAL A 59 2.886 -9.543 -5.908 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.808 -10.079 -4.615 1.00 0.00 C ATOM 0 H VAL A 59 1.782 -9.154 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 59 3.070 -11.190 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 59 2.074 -8.392 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.269 -9.066 -6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.852 -9.040 -5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.036 -10.591 -6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.219 -9.596 -5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.903 -11.142 -4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.310 -9.953 -3.654 1.00 0.00 H new ATOM 943 N VAL A 60 4.575 -8.235 -3.459 1.00 0.00 N ATOM 944 CA VAL A 60 5.875 -7.576 -3.509 1.00 0.00 C ATOM 945 C VAL A 60 6.834 -8.177 -2.488 1.00 0.00 C ATOM 946 O VAL A 60 8.044 -8.220 -2.708 1.00 0.00 O ATOM 947 CB VAL A 60 5.748 -6.063 -3.249 1.00 0.00 C ATOM 948 CG1 VAL A 60 5.190 -5.805 -1.858 1.00 0.00 C ATOM 949 CG2 VAL A 60 7.094 -5.378 -3.428 1.00 0.00 C ATOM 0 H VAL A 60 3.783 -7.599 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 60 6.271 -7.732 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 60 5.053 -5.644 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.107 -4.731 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.204 -6.262 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.858 -6.237 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.986 -4.310 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.813 -5.799 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.449 -5.534 -4.447 1.00 0.00 H new ATOM 959 N ALA A 61 6.286 -8.640 -1.369 1.00 0.00 N ATOM 960 CA ALA A 61 7.093 -9.242 -0.315 1.00 0.00 C ATOM 961 C ALA A 61 7.242 -10.744 -0.527 1.00 0.00 C ATOM 962 O ALA A 61 8.099 -11.384 0.081 1.00 0.00 O ATOM 963 CB ALA A 61 6.477 -8.958 1.047 1.00 0.00 C ATOM 0 H ALA A 61 5.286 -8.610 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 61 8.087 -8.796 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.089 -9.413 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.428 -7.881 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.471 -9.376 1.086 1.00 0.00 H new ATOM 969 N ASN A 62 6.403 -11.301 -1.394 1.00 0.00 N ATOM 970 CA ASN A 62 6.442 -12.730 -1.686 1.00 0.00 C ATOM 971 C ASN A 62 6.205 -13.549 -0.421 1.00 0.00 C ATOM 972 O ASN A 62 6.760 -14.636 -0.262 1.00 0.00 O ATOM 973 CB ASN A 62 7.787 -13.108 -2.308 1.00 0.00 C ATOM 974 CG ASN A 62 8.100 -12.293 -3.548 1.00 0.00 C ATOM 975 OD1 ASN A 62 7.307 -12.241 -4.487 1.00 0.00 O ATOM 976 ND2 ASN A 62 9.263 -11.650 -3.555 1.00 0.00 N ATOM 0 H ASN A 62 5.688 -10.785 -1.907 1.00 0.00 H new ATOM 0 HA ASN A 62 5.646 -12.953 -2.397 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.578 -12.963 -1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.781 -14.167 -2.565 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.528 -11.085 -4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.890 -11.722 -2.754 1.00 0.00 H new ATOM 983 N GLU A 63 5.377 -13.020 0.475 1.00 0.00 N ATOM 984 CA GLU A 63 5.068 -13.703 1.725 1.00 0.00 C ATOM 985 C GLU A 63 3.579 -13.605 2.045 1.00 0.00 C ATOM 986 O GLU A 63 2.867 -12.767 1.492 1.00 0.00 O ATOM 987 CB GLU A 63 5.888 -13.110 2.873 1.00 0.00 C ATOM 988 CG GLU A 63 6.126 -14.081 4.017 1.00 0.00 C ATOM 989 CD GLU A 63 6.941 -15.289 3.597 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.135 -15.114 3.272 1.00 0.00 O ATOM 991 OE2 GLU A 63 6.387 -16.407 3.593 1.00 0.00 O ATOM 0 H GLU A 63 4.909 -12.121 0.358 1.00 0.00 H new ATOM 0 HA GLU A 63 5.328 -14.755 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.850 -12.775 2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.375 -12.228 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.641 -13.564 4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.166 -14.414 4.411 1.00 0.00 H new ATOM 998 N LYS A 64 3.115 -14.468 2.943 1.00 0.00 N ATOM 999 CA LYS A 64 1.711 -14.479 3.339 1.00 0.00 C ATOM 1000 C LYS A 64 1.549 -14.009 4.780 1.00 0.00 C ATOM 1001 O LYS A 64 2.318 -14.398 5.660 1.00 0.00 O ATOM 1002 CB LYS A 64 1.127 -15.885 3.180 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.370 -15.952 3.424 1.00 0.00 C ATOM 1004 CD LYS A 64 -0.983 -17.191 2.792 1.00 0.00 C ATOM 1005 CE LYS A 64 -0.877 -18.397 3.712 1.00 0.00 C ATOM 1006 NZ LYS A 64 -2.024 -18.476 4.658 1.00 0.00 N ATOM 0 H LYS A 64 3.690 -15.169 3.410 1.00 0.00 H new ATOM 0 HA LYS A 64 1.170 -13.792 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.339 -16.246 2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.630 -16.559 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.565 -15.955 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.846 -15.061 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.031 -17.001 2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.480 -17.406 1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.836 -19.307 3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.055 -18.343 4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.914 -19.311 5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.048 -17.619 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.912 -18.553 4.122 1.00 0.00 H new ATOM 1020 N ILE A 65 0.544 -13.172 5.015 1.00 0.00 N ATOM 1021 CA ILE A 65 0.280 -12.652 6.351 1.00 0.00 C ATOM 1022 C ILE A 65 -0.810 -13.457 7.049 1.00 0.00 C ATOM 1023 O ILE A 65 -1.953 -13.498 6.594 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.140 -11.171 6.306 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.784 -10.384 5.374 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.126 -10.573 7.704 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.284 -8.991 5.063 1.00 0.00 C ATOM 0 H ILE A 65 -0.101 -12.840 4.298 1.00 0.00 H new ATOM 0 HA ILE A 65 1.210 -12.741 6.913 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.156 -11.109 5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.772 -10.313 5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.902 -10.936 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.425 -9.526 7.655 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.822 -11.120 8.341 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.879 -10.644 8.120 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.988 -8.492 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.690 -9.054 4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.193 -8.422 5.988 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.449 -14.095 8.158 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.398 -14.899 8.920 1.00 0.00 C ATOM 1041 C GLU A 66 -2.244 -14.019 9.836 1.00 0.00 C ATOM 1042 O GLU A 66 -3.305 -14.432 10.305 1.00 0.00 O ATOM 1043 CB GLU A 66 -0.659 -15.953 9.748 1.00 0.00 C ATOM 1044 CG GLU A 66 0.098 -16.966 8.906 1.00 0.00 C ATOM 1045 CD GLU A 66 0.359 -18.262 9.649 1.00 0.00 C ATOM 1046 OE1 GLU A 66 0.899 -18.202 10.773 1.00 0.00 O ATOM 1047 OE2 GLU A 66 0.024 -19.335 9.106 1.00 0.00 O ATOM 0 H GLU A 66 0.493 -14.071 8.549 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.059 -15.401 8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.042 -15.452 10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.378 -16.479 10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.471 -17.178 8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.048 -16.534 8.591 1.00 0.00 H new ATOM 1054 N ASP A 67 -1.768 -12.804 10.085 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.480 -11.865 10.944 1.00 0.00 C ATOM 1056 C ASP A 67 -3.501 -11.063 10.143 1.00 0.00 C ATOM 1057 O ASP A 67 -3.710 -9.877 10.398 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.493 -10.918 11.629 1.00 0.00 C ATOM 1059 CG ASP A 67 -0.917 -11.504 12.903 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -1.688 -12.101 13.683 1.00 0.00 O ATOM 1061 OD2 ASP A 67 0.306 -11.368 13.118 1.00 0.00 O ATOM 0 H ASP A 67 -0.892 -12.446 9.704 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.010 -12.437 11.705 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.681 -10.684 10.941 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.996 -9.979 11.860 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.132 -11.718 9.175 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.131 -11.066 8.337 1.00 0.00 C ATOM 1068 C ILE A 68 -6.519 -11.649 8.582 1.00 0.00 C ATOM 1069 O ILE A 68 -6.837 -12.739 8.109 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.786 -11.200 6.842 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.415 -10.584 6.555 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.859 -10.539 5.990 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.374 -9.085 6.750 1.00 0.00 C ATOM 0 H ILE A 68 -3.969 -12.700 8.951 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.130 -10.010 8.608 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.748 -12.259 6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.674 -11.047 7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.128 -10.817 5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.601 -10.642 4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.819 -11.019 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.926 -9.482 6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.372 -8.717 6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.091 -8.611 6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.629 -8.845 7.782 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.341 -10.913 9.321 1.00 0.00 N ATOM 1086 CA ASN A 69 -8.697 -11.356 9.628 1.00 0.00 C ATOM 1087 C ASN A 69 -9.344 -12.009 8.410 1.00 0.00 C ATOM 1088 O ASN A 69 -9.931 -13.085 8.508 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.547 -10.175 10.100 1.00 0.00 C ATOM 1090 CG ASN A 69 -10.888 -10.614 10.656 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -10.982 -11.620 11.359 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -11.935 -9.859 10.341 1.00 0.00 N ATOM 0 H ASN A 69 -7.093 -10.007 9.719 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.640 -12.095 10.427 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.003 -9.622 10.866 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.708 -9.491 9.267 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.863 -10.105 10.685 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.811 -9.033 9.755 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.231 -11.348 7.261 1.00 0.00 N ATOM 1100 CA GLY A 70 -9.810 -11.879 6.041 1.00 0.00 C ATOM 1101 C GLY A 70 -11.142 -11.239 5.704 1.00 0.00 C ATOM 1102 O GLY A 70 -11.308 -10.666 4.627 1.00 0.00 O ATOM 0 H GLY A 70 -8.749 -10.455 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.116 -11.722 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.944 -12.956 6.145 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.093 -11.337 6.626 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.419 -10.765 6.421 1.00 0.00 C ATOM 1108 C CYS A 71 -13.842 -9.927 7.623 1.00 0.00 C ATOM 1109 O CYS A 71 -14.569 -10.385 8.505 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.443 -11.873 6.171 1.00 0.00 C ATOM 1111 SG CYS A 71 -15.963 -11.307 5.372 1.00 0.00 S ATOM 0 H CYS A 71 -11.971 -11.807 7.523 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.376 -10.116 5.546 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -13.985 -12.643 5.551 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -14.697 -12.339 7.123 1.00 0.00 H new ATOM 0 HG CYS A 71 -16.765 -12.316 5.201 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.375 -8.670 7.663 1.00 0.00 N ATOM 1118 CA PRO A 72 -13.691 -7.743 8.753 1.00 0.00 C ATOM 1119 C PRO A 72 -15.151 -7.304 8.736 1.00 0.00 C ATOM 1120 O PRO A 72 -15.618 -6.701 7.769 1.00 0.00 O ATOM 1121 CB PRO A 72 -12.771 -6.550 8.482 1.00 0.00 C ATOM 1122 CG PRO A 72 -12.507 -6.601 7.017 1.00 0.00 C ATOM 1123 CD PRO A 72 -12.503 -8.058 6.647 1.00 0.00 C ATOM 0 HA PRO A 72 -13.543 -8.199 9.732 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.246 -5.611 8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.846 -6.625 9.054 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.274 -6.060 6.463 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.552 -6.135 6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.887 -8.218 5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.497 -8.477 6.675 1.00 0.00 H new ATOM 1131 N LYS A 73 -15.869 -7.609 9.812 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.276 -7.245 9.922 1.00 0.00 C ATOM 1133 C LYS A 73 -17.461 -6.073 10.880 1.00 0.00 C ATOM 1134 O LYS A 73 -18.110 -5.083 10.546 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.099 -8.444 10.400 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.320 -9.496 9.328 1.00 0.00 C ATOM 1137 CD LYS A 73 -19.568 -10.318 9.602 1.00 0.00 C ATOM 1138 CE LYS A 73 -20.050 -11.035 8.350 1.00 0.00 C ATOM 1139 NZ LYS A 73 -19.150 -12.161 7.976 1.00 0.00 N ATOM 0 H LYS A 73 -15.499 -8.108 10.621 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.626 -6.943 8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.595 -8.904 11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.067 -8.091 10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -18.408 -9.012 8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.453 -10.155 9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -19.359 -11.049 10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.358 -9.668 9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -21.058 -11.415 8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.107 -10.326 7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.512 -12.625 7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.193 -11.795 7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -19.115 -12.851 8.754 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.886 -6.192 12.072 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.987 -5.142 13.079 1.00 0.00 C ATOM 1155 C ASN A 74 -16.145 -3.931 12.688 1.00 0.00 C ATOM 1156 O ASN A 74 -15.300 -4.011 11.797 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.539 -5.669 14.443 1.00 0.00 C ATOM 1158 CG ASN A 74 -17.592 -6.539 15.101 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -18.473 -7.080 14.432 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -17.506 -6.678 16.419 1.00 0.00 N ATOM 0 H ASN A 74 -16.345 -7.006 12.364 1.00 0.00 H new ATOM 0 HA ASN A 74 -18.030 -4.833 13.142 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.620 -6.243 14.324 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.307 -4.828 15.096 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.187 -7.252 16.917 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.759 -6.211 16.933 1.00 0.00 H new ATOM 1167 N ARG A 75 -16.383 -2.810 13.361 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.647 -1.582 13.084 1.00 0.00 C ATOM 1169 C ARG A 75 -14.172 -1.739 13.441 1.00 0.00 C ATOM 1170 O ARG A 75 -13.292 -1.396 12.652 1.00 0.00 O ATOM 1171 CB ARG A 75 -16.250 -0.414 13.866 1.00 0.00 C ATOM 1172 CG ARG A 75 -15.414 0.854 13.809 1.00 0.00 C ATOM 1173 CD ARG A 75 -14.388 0.895 14.931 1.00 0.00 C ATOM 1174 NE ARG A 75 -13.794 2.221 15.082 1.00 0.00 N ATOM 1175 CZ ARG A 75 -12.678 2.453 15.764 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -12.038 1.454 16.354 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -12.200 3.688 15.855 1.00 0.00 N ATOM 0 H ARG A 75 -17.079 -2.727 14.102 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.724 -1.375 12.017 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -17.245 -0.201 13.475 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.374 -0.711 14.907 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.905 0.913 12.847 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.066 1.725 13.879 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.863 0.602 15.867 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.602 0.167 14.730 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.262 3.012 14.640 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.402 0.504 16.285 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.181 1.635 16.877 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.690 4.459 15.401 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.343 3.866 16.379 1.00 0.00 H new ATOM 1191 N SER A 76 -13.910 -2.260 14.636 1.00 0.00 N ATOM 1192 CA SER A 76 -12.542 -2.459 15.099 1.00 0.00 C ATOM 1193 C SER A 76 -11.873 -3.604 14.344 1.00 0.00 C ATOM 1194 O SER A 76 -10.670 -3.571 14.086 1.00 0.00 O ATOM 1195 CB SER A 76 -12.527 -2.747 16.602 1.00 0.00 C ATOM 1196 OG SER A 76 -13.404 -1.877 17.297 1.00 0.00 O ATOM 0 H SER A 76 -14.627 -2.552 15.300 1.00 0.00 H new ATOM 0 HA SER A 76 -11.983 -1.544 14.905 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.820 -3.782 16.780 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.514 -2.631 16.988 1.00 0.00 H new ATOM 0 HG SER A 76 -13.377 -2.082 18.255 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.663 -4.614 13.994 1.00 0.00 N ATOM 1203 CA GLN A 77 -12.148 -5.769 13.269 1.00 0.00 C ATOM 1204 C GLN A 77 -11.194 -5.336 12.160 1.00 0.00 C ATOM 1205 O GLN A 77 -10.087 -5.860 12.040 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.300 -6.582 12.678 1.00 0.00 C ATOM 1207 CG GLN A 77 -13.821 -7.666 13.609 1.00 0.00 C ATOM 1208 CD GLN A 77 -12.951 -8.907 13.604 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -11.787 -8.865 14.003 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -13.513 -10.022 13.151 1.00 0.00 N ATOM 0 H GLN A 77 -13.661 -4.656 14.201 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.597 -6.392 13.974 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -14.118 -5.907 12.426 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.969 -7.043 11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.879 -7.271 14.623 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.835 -7.936 13.314 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -14.481 -10.011 12.830 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.976 -10.889 13.124 1.00 0.00 H new ATOM 1219 N MET A 78 -11.632 -4.376 11.352 1.00 0.00 N ATOM 1220 CA MET A 78 -10.816 -3.872 10.253 1.00 0.00 C ATOM 1221 C MET A 78 -9.440 -3.442 10.751 1.00 0.00 C ATOM 1222 O MET A 78 -8.418 -3.801 10.164 1.00 0.00 O ATOM 1223 CB MET A 78 -11.515 -2.695 9.570 1.00 0.00 C ATOM 1224 CG MET A 78 -12.866 -3.053 8.973 1.00 0.00 C ATOM 1225 SD MET A 78 -13.838 -1.600 8.531 1.00 0.00 S ATOM 1226 CE MET A 78 -15.433 -2.038 9.219 1.00 0.00 C ATOM 0 H MET A 78 -12.546 -3.932 11.437 1.00 0.00 H new ATOM 0 HA MET A 78 -10.686 -4.677 9.530 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.649 -1.892 10.295 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.870 -2.308 8.781 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.715 -3.668 8.086 1.00 0.00 H new ATOM 0 HG3 MET A 78 -13.426 -3.656 9.687 1.00 0.00 H new ATOM 0 HE1 MET A 78 -16.166 -2.119 8.416 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.356 -2.994 9.737 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.749 -1.268 9.923 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.421 -2.673 11.834 1.00 0.00 N ATOM 1237 CA ILE A 79 -8.169 -2.196 12.409 1.00 0.00 C ATOM 1238 C ILE A 79 -7.088 -3.268 12.339 1.00 0.00 C ATOM 1239 O ILE A 79 -6.059 -3.084 11.690 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.353 -1.763 13.876 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -9.401 -0.652 13.976 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -7.027 -1.301 14.462 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -9.013 0.612 13.242 1.00 0.00 C ATOM 0 H ILE A 79 -10.258 -2.367 12.331 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.859 -1.333 11.820 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.704 -2.620 14.451 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.347 -1.019 13.577 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.569 -0.415 15.027 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.173 -0.998 15.499 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.307 -2.118 14.421 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.650 -0.455 13.887 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.802 1.356 13.356 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.084 1.003 13.656 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.874 0.390 12.184 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.330 -4.390 13.011 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.376 -5.493 13.023 1.00 0.00 C ATOM 1257 C GLU A 80 -5.724 -5.664 11.654 1.00 0.00 C ATOM 1258 O GLU A 80 -4.502 -5.602 11.525 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.071 -6.792 13.435 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.197 -6.965 14.940 1.00 0.00 C ATOM 1261 CD GLU A 80 -7.267 -8.421 15.356 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -6.199 -9.055 15.482 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -8.392 -8.926 15.557 1.00 0.00 O ATOM 0 H GLU A 80 -8.177 -4.559 13.553 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.598 -5.259 13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.066 -6.819 12.990 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.516 -7.636 13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.345 -6.492 15.429 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.092 -6.448 15.288 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.549 -5.880 10.635 1.00 0.00 N ATOM 1271 CA ASN A 81 -6.054 -6.061 9.275 1.00 0.00 C ATOM 1272 C ASN A 81 -4.851 -5.160 9.010 1.00 0.00 C ATOM 1273 O ASN A 81 -3.723 -5.636 8.884 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.161 -5.763 8.263 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.353 -6.687 8.421 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.842 -6.904 9.530 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -8.826 -7.238 7.309 1.00 0.00 N ATOM 0 H ASN A 81 -7.564 -5.934 10.725 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.740 -7.099 9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.488 -4.730 8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.762 -5.859 7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.626 -7.869 7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.389 -7.030 6.411 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.101 -3.858 8.927 1.00 0.00 N ATOM 1285 CA ILE A 82 -4.039 -2.891 8.679 1.00 0.00 C ATOM 1286 C ILE A 82 -2.892 -3.068 9.668 1.00 0.00 C ATOM 1287 O ILE A 82 -1.721 -2.982 9.299 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.561 -1.445 8.770 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.732 -1.242 7.805 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.443 -0.458 8.470 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.649 -0.106 8.200 1.00 0.00 C ATOM 0 H ILE A 82 -6.030 -3.448 9.028 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.676 -3.075 7.668 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.915 -1.265 9.785 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.340 -1.052 6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.311 -2.164 7.750 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.828 0.559 8.538 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.637 -0.590 9.192 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.062 -0.635 7.464 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.456 -0.020 7.472 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.070 -0.304 9.186 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.084 0.825 8.227 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.237 -3.319 10.927 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.236 -3.511 11.970 1.00 0.00 C ATOM 1305 C ASP A 83 -1.234 -4.589 11.569 1.00 0.00 C ATOM 1306 O ASP A 83 -0.024 -4.398 11.680 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.911 -3.890 13.289 1.00 0.00 C ATOM 1308 CG ASP A 83 -2.127 -3.415 14.497 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.813 -2.208 14.563 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -1.826 -4.250 15.376 1.00 0.00 O ATOM 0 H ASP A 83 -4.202 -3.394 11.249 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.699 -2.572 12.102 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.913 -3.461 13.318 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.026 -4.973 13.337 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.747 -5.724 11.104 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.897 -6.832 10.686 1.00 0.00 C ATOM 1317 C ALA A 84 0.157 -6.368 9.687 1.00 0.00 C ATOM 1318 O ALA A 84 1.348 -6.634 9.858 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.741 -7.947 10.085 1.00 0.00 C ATOM 0 H ALA A 84 -2.747 -5.900 11.007 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.382 -7.215 11.567 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.093 -8.768 9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.453 -8.306 10.828 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.282 -7.567 9.218 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.286 -5.675 8.644 1.00 0.00 N ATOM 1326 CA CYS A 85 0.621 -5.175 7.617 1.00 0.00 C ATOM 1327 C CYS A 85 1.734 -4.336 8.235 1.00 0.00 C ATOM 1328 O CYS A 85 2.907 -4.493 7.894 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.149 -4.345 6.588 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.590 -5.185 5.891 1.00 0.00 S ATOM 0 H CYS A 85 -1.268 -5.447 8.487 1.00 0.00 H new ATOM 0 HA CYS A 85 1.073 -6.032 7.118 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.475 -3.416 7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.527 -4.073 5.777 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.570 -4.339 5.771 1.00 0.00 H new ATOM 1336 N LEU A 86 1.359 -3.443 9.145 1.00 0.00 N ATOM 1337 CA LEU A 86 2.326 -2.577 9.810 1.00 0.00 C ATOM 1338 C LEU A 86 3.395 -3.400 10.521 1.00 0.00 C ATOM 1339 O LEU A 86 4.590 -3.205 10.303 1.00 0.00 O ATOM 1340 CB LEU A 86 1.617 -1.665 10.813 1.00 0.00 C ATOM 1341 CG LEU A 86 0.502 -0.784 10.248 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.253 -0.093 11.373 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.072 0.240 9.277 1.00 0.00 C ATOM 0 H LEU A 86 0.393 -3.300 9.439 1.00 0.00 H new ATOM 0 HA LEU A 86 2.811 -1.964 9.050 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.196 -2.286 11.604 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.363 -1.020 11.277 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.198 -1.419 9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.043 0.530 10.952 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.693 -0.843 12.030 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.435 0.530 11.944 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.265 0.858 8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.793 0.871 9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.567 -0.275 8.454 1.00 0.00 H new ATOM 1355 N ASN A 87 2.957 -4.323 11.372 1.00 0.00 N ATOM 1356 CA ASN A 87 3.877 -5.177 12.114 1.00 0.00 C ATOM 1357 C ASN A 87 4.685 -6.058 11.167 1.00 0.00 C ATOM 1358 O ASN A 87 5.863 -6.327 11.404 1.00 0.00 O ATOM 1359 CB ASN A 87 3.107 -6.049 13.108 1.00 0.00 C ATOM 1360 CG ASN A 87 2.506 -5.241 14.242 1.00 0.00 C ATOM 1361 OD1 ASN A 87 3.219 -4.766 15.126 1.00 0.00 O ATOM 1362 ND2 ASN A 87 1.188 -5.081 14.221 1.00 0.00 N ATOM 0 H ASN A 87 1.971 -4.498 11.564 1.00 0.00 H new ATOM 0 HA ASN A 87 4.567 -4.535 12.662 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.313 -6.579 12.583 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.777 -6.804 13.519 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.727 -4.546 14.957 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.636 -5.493 13.468 1.00 0.00 H new ATOM 1369 N PHE A 88 4.044 -6.505 10.092 1.00 0.00 N ATOM 1370 CA PHE A 88 4.702 -7.357 9.108 1.00 0.00 C ATOM 1371 C PHE A 88 5.870 -6.627 8.451 1.00 0.00 C ATOM 1372 O PHE A 88 6.959 -7.182 8.301 1.00 0.00 O ATOM 1373 CB PHE A 88 3.702 -7.807 8.041 1.00 0.00 C ATOM 1374 CG PHE A 88 4.348 -8.454 6.849 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.865 -7.683 5.820 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.437 -9.834 6.757 1.00 0.00 C ATOM 1377 CE1 PHE A 88 5.460 -8.276 4.723 1.00 0.00 C ATOM 1378 CE2 PHE A 88 5.032 -10.432 5.663 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.543 -9.652 4.643 1.00 0.00 C ATOM 0 H PHE A 88 3.069 -6.291 9.880 1.00 0.00 H new ATOM 0 HA PHE A 88 5.090 -8.235 9.626 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.997 -8.508 8.488 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.125 -6.944 7.708 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.802 -6.606 5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.037 -10.449 7.550 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.860 -7.664 3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.098 -11.508 5.605 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.006 -10.117 3.786 1.00 0.00 H new ATOM 1389 N LEU A 89 5.635 -5.379 8.061 1.00 0.00 N ATOM 1390 CA LEU A 89 6.666 -4.571 7.419 1.00 0.00 C ATOM 1391 C LEU A 89 7.856 -4.365 8.351 1.00 0.00 C ATOM 1392 O LEU A 89 9.001 -4.615 7.977 1.00 0.00 O ATOM 1393 CB LEU A 89 6.093 -3.216 6.999 1.00 0.00 C ATOM 1394 CG LEU A 89 5.145 -3.232 5.799 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.474 -1.877 5.632 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.894 -3.618 4.532 1.00 0.00 C ATOM 0 H LEU A 89 4.740 -4.905 8.178 1.00 0.00 H new ATOM 0 HA LEU A 89 7.010 -5.104 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.563 -2.788 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.923 -2.547 6.772 1.00 0.00 H new ATOM 0 HG LEU A 89 4.372 -3.978 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.803 -1.907 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.904 -1.640 6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.234 -1.112 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.203 -3.624 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.689 -2.896 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.327 -4.611 4.654 1.00 0.00 H new ATOM 1408 N ALA A 90 7.575 -3.911 9.568 1.00 0.00 N ATOM 1409 CA ALA A 90 8.621 -3.676 10.556 1.00 0.00 C ATOM 1410 C ALA A 90 9.584 -4.856 10.627 1.00 0.00 C ATOM 1411 O ALA A 90 10.799 -4.685 10.533 1.00 0.00 O ATOM 1412 CB ALA A 90 8.007 -3.410 11.922 1.00 0.00 C ATOM 0 H ALA A 90 6.632 -3.699 9.893 1.00 0.00 H new ATOM 0 HA ALA A 90 9.187 -2.797 10.247 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.800 -3.236 12.650 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.365 -2.531 11.867 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.415 -4.272 12.229 1.00 0.00 H new ATOM 1418 N ALA A 91 9.033 -6.054 10.795 1.00 0.00 N ATOM 1419 CA ALA A 91 9.843 -7.263 10.877 1.00 0.00 C ATOM 1420 C ALA A 91 10.754 -7.398 9.661 1.00 0.00 C ATOM 1421 O ALA A 91 11.855 -7.939 9.754 1.00 0.00 O ATOM 1422 CB ALA A 91 8.951 -8.488 11.009 1.00 0.00 C ATOM 0 H ALA A 91 8.029 -6.213 10.877 1.00 0.00 H new ATOM 0 HA ALA A 91 10.473 -7.189 11.763 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.569 -9.384 11.069 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.347 -8.403 11.912 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.296 -8.557 10.140 1.00 0.00 H new ATOM 1428 N LYS A 92 10.286 -6.902 8.520 1.00 0.00 N ATOM 1429 CA LYS A 92 11.058 -6.967 7.285 1.00 0.00 C ATOM 1430 C LYS A 92 12.175 -5.928 7.286 1.00 0.00 C ATOM 1431 O LYS A 92 13.122 -6.020 6.507 1.00 0.00 O ATOM 1432 CB LYS A 92 10.144 -6.747 6.077 1.00 0.00 C ATOM 1433 CG LYS A 92 9.147 -7.872 5.856 1.00 0.00 C ATOM 1434 CD LYS A 92 9.819 -9.108 5.282 1.00 0.00 C ATOM 1435 CE LYS A 92 8.804 -10.193 4.956 1.00 0.00 C ATOM 1436 NZ LYS A 92 9.406 -11.291 4.150 1.00 0.00 N ATOM 0 H LYS A 92 9.376 -6.451 8.425 1.00 0.00 H new ATOM 0 HA LYS A 92 11.507 -7.958 7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.600 -5.812 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.758 -6.636 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.666 -8.124 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.362 -7.536 5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.368 -8.839 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.547 -9.492 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.399 -10.602 5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.969 -9.756 4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.683 -12.011 3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.770 -10.906 3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.187 -11.725 4.683 1.00 0.00 H new ATOM 1450 N GLY A 93 12.057 -4.939 8.168 1.00 0.00 N ATOM 1451 CA GLY A 93 13.064 -3.898 8.254 1.00 0.00 C ATOM 1452 C GLY A 93 12.561 -2.562 7.747 1.00 0.00 C ATOM 1453 O GLY A 93 13.301 -1.818 7.102 1.00 0.00 O ATOM 0 H GLY A 93 11.282 -4.841 8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.385 -3.792 9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.940 -4.196 7.677 1.00 0.00 H new ATOM 1457 N ILE A 94 11.301 -2.256 8.037 1.00 0.00 N ATOM 1458 CA ILE A 94 10.701 -1.000 7.605 1.00 0.00 C ATOM 1459 C ILE A 94 10.183 -0.200 8.795 1.00 0.00 C ATOM 1460 O ILE A 94 9.359 -0.685 9.569 1.00 0.00 O ATOM 1461 CB ILE A 94 9.543 -1.240 6.618 1.00 0.00 C ATOM 1462 CG1 ILE A 94 10.051 -1.958 5.366 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.883 0.080 6.246 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.949 -2.577 4.535 1.00 0.00 C ATOM 0 H ILE A 94 10.676 -2.861 8.569 1.00 0.00 H new ATOM 0 HA ILE A 94 11.484 -0.432 7.103 1.00 0.00 H new ATOM 0 HB ILE A 94 8.799 -1.874 7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.605 -1.249 4.750 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.752 -2.738 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.067 -0.105 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.491 0.557 7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.618 0.735 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.382 -3.069 3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.409 -3.310 5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.260 -1.799 4.207 1.00 0.00 H new ATOM 1526 N GLY A 98 5.020 5.764 13.994 1.00 0.00 N ATOM 1527 CA GLY A 98 4.440 7.027 13.577 1.00 0.00 C ATOM 1528 C GLY A 98 3.088 6.854 12.914 1.00 0.00 C ATOM 1529 O GLY A 98 2.192 7.680 13.090 1.00 0.00 O ATOM 0 HA2 GLY A 98 4.335 7.679 14.444 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.120 7.524 12.885 1.00 0.00 H new ATOM 1533 N LEU A 99 2.940 5.778 12.150 1.00 0.00 N ATOM 1534 CA LEU A 99 1.687 5.499 11.456 1.00 0.00 C ATOM 1535 C LEU A 99 0.565 5.218 12.450 1.00 0.00 C ATOM 1536 O LEU A 99 0.790 5.175 13.659 1.00 0.00 O ATOM 1537 CB LEU A 99 1.858 4.307 10.512 1.00 0.00 C ATOM 1538 CG LEU A 99 2.953 4.442 9.453 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.128 3.133 8.697 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.627 5.575 8.491 1.00 0.00 C ATOM 0 H LEU A 99 3.671 5.084 11.995 1.00 0.00 H new ATOM 0 HA LEU A 99 1.419 6.380 10.873 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.067 3.421 11.112 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.909 4.132 10.005 1.00 0.00 H new ATOM 0 HG LEU A 99 3.891 4.677 9.955 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.911 3.248 7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.407 2.344 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.192 2.869 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.417 5.657 7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.678 5.370 7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.552 6.511 9.044 1.00 0.00 H new ATOM 1552 N SER A 100 -0.643 5.025 11.931 1.00 0.00 N ATOM 1553 CA SER A 100 -1.801 4.749 12.774 1.00 0.00 C ATOM 1554 C SER A 100 -2.842 3.930 12.016 1.00 0.00 C ATOM 1555 O SER A 100 -3.516 4.438 11.120 1.00 0.00 O ATOM 1556 CB SER A 100 -2.425 6.057 13.264 1.00 0.00 C ATOM 1557 OG SER A 100 -1.652 6.632 14.304 1.00 0.00 O ATOM 0 H SER A 100 -0.846 5.055 10.932 1.00 0.00 H new ATOM 0 HA SER A 100 -1.463 4.170 13.634 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.504 6.759 12.434 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.438 5.869 13.620 1.00 0.00 H new ATOM 0 HG SER A 100 -0.780 6.186 14.349 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.966 2.658 12.382 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.924 1.768 11.739 1.00 0.00 C ATOM 1565 C ALA A 101 -5.296 2.424 11.632 1.00 0.00 C ATOM 1566 O ALA A 101 -5.953 2.343 10.595 1.00 0.00 O ATOM 1567 CB ALA A 101 -4.022 0.457 12.504 1.00 0.00 C ATOM 0 H ALA A 101 -2.415 2.221 13.121 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.569 1.561 10.729 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.741 -0.198 12.012 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.045 -0.026 12.524 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.350 0.655 13.525 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.723 3.073 12.711 1.00 0.00 N ATOM 1574 CA GLU A 102 -7.018 3.742 12.737 1.00 0.00 C ATOM 1575 C GLU A 102 -7.114 4.787 11.629 1.00 0.00 C ATOM 1576 O GLU A 102 -8.041 4.766 10.821 1.00 0.00 O ATOM 1577 CB GLU A 102 -7.249 4.403 14.097 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.571 5.145 14.197 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.541 6.253 15.232 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -7.827 6.100 16.245 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -9.232 7.273 15.028 1.00 0.00 O ATOM 0 H GLU A 102 -5.191 3.149 13.578 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.789 2.990 12.571 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.211 3.639 14.874 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.435 5.100 14.296 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.820 5.568 13.224 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.362 4.439 14.449 1.00 0.00 H new ATOM 1588 N GLU A 103 -6.148 5.700 11.600 1.00 0.00 N ATOM 1589 CA GLU A 103 -6.124 6.754 10.592 1.00 0.00 C ATOM 1590 C GLU A 103 -6.252 6.168 9.189 1.00 0.00 C ATOM 1591 O GLU A 103 -7.030 6.658 8.370 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.831 7.566 10.702 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.734 8.385 11.978 1.00 0.00 C ATOM 1594 CD GLU A 103 -5.609 9.623 11.944 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -5.331 10.525 11.127 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -6.573 9.689 12.735 1.00 0.00 O ATOM 0 H GLU A 103 -5.373 5.731 12.262 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.974 7.412 10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.980 6.887 10.650 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.758 8.235 9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.022 7.764 12.827 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.697 8.682 12.137 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.484 5.118 8.920 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.512 4.465 7.617 1.00 0.00 C ATOM 1605 C ILE A 104 -6.915 3.977 7.277 1.00 0.00 C ATOM 1606 O ILE A 104 -7.387 4.146 6.152 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.538 3.273 7.564 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -3.107 3.743 7.831 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.629 2.575 6.215 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -2.067 2.665 7.617 1.00 0.00 C ATOM 0 H ILE A 104 -4.835 4.701 9.587 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.202 5.210 6.884 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.817 2.560 8.340 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.883 4.587 7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.038 4.105 8.857 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.935 1.735 6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.645 2.211 6.062 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.372 3.279 5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.076 3.069 7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.266 1.829 8.288 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.109 2.319 6.584 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.579 3.372 8.257 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.930 2.859 8.062 1.00 0.00 C ATOM 1624 C ARG A 105 -9.903 3.994 7.757 1.00 0.00 C ATOM 1625 O ARG A 105 -10.956 3.778 7.157 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.393 2.095 9.304 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.840 1.637 9.232 1.00 0.00 C ATOM 1628 CD ARG A 105 -11.311 1.069 10.562 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.746 1.255 10.760 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.316 2.443 10.927 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.578 3.544 10.921 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.629 2.531 11.102 1.00 0.00 N ATOM 0 H ARG A 105 -7.203 3.225 9.194 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.914 2.178 7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.752 1.225 9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.265 2.731 10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.475 2.476 8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.945 0.881 8.454 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.074 0.006 10.606 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.768 1.551 11.375 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.343 0.428 10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.569 3.481 10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.019 4.455 11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.200 1.686 11.108 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.066 3.443 11.230 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.544 5.203 8.175 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.386 6.372 7.947 1.00 0.00 C ATOM 1648 C ASN A 106 -10.123 6.972 6.569 1.00 0.00 C ATOM 1649 O ASN A 106 -10.939 7.729 6.045 1.00 0.00 O ATOM 1650 CB ASN A 106 -10.137 7.424 9.030 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.682 7.003 10.381 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -11.840 6.604 10.499 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -9.845 7.090 11.409 1.00 0.00 N ATOM 0 H ASN A 106 -8.676 5.399 8.673 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.427 6.053 7.992 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.066 7.608 9.115 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.599 8.365 8.732 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.154 6.820 12.343 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.893 7.427 11.264 1.00 0.00 H new ATOM 1660 N GLY A 107 -8.978 6.627 5.988 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.628 7.140 4.677 1.00 0.00 C ATOM 1662 C GLY A 107 -7.817 8.419 4.751 1.00 0.00 C ATOM 1663 O GLY A 107 -7.937 9.289 3.890 1.00 0.00 O ATOM 0 H GLY A 107 -8.287 6.001 6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.060 6.384 4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.539 7.324 4.107 1.00 0.00 H new ATOM 1667 N ASN A 108 -6.990 8.533 5.785 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.157 9.716 5.971 1.00 0.00 C ATOM 1669 C ASN A 108 -4.951 9.684 5.037 1.00 0.00 C ATOM 1670 O ASN A 108 -3.943 9.038 5.329 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.689 9.813 7.424 1.00 0.00 C ATOM 1672 CG ASN A 108 -4.753 10.984 7.653 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -3.550 10.803 7.842 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -5.302 12.193 7.637 1.00 0.00 N ATOM 0 H ASN A 108 -6.879 7.821 6.507 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.757 10.594 5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.557 9.912 8.076 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -5.184 8.888 7.703 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.722 13.019 7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.304 12.296 7.477 1.00 0.00 H new ATOM 1681 N LEU A 109 -5.060 10.384 3.914 1.00 0.00 N ATOM 1682 CA LEU A 109 -3.978 10.437 2.937 1.00 0.00 C ATOM 1683 C LEU A 109 -2.619 10.467 3.630 1.00 0.00 C ATOM 1684 O LEU A 109 -1.812 9.550 3.477 1.00 0.00 O ATOM 1685 CB LEU A 109 -4.133 11.668 2.041 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.579 11.538 0.622 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.356 10.492 -0.161 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.622 12.882 -0.092 1.00 0.00 C ATOM 0 H LEU A 109 -5.887 10.923 3.657 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.032 9.538 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.193 11.914 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.640 12.510 2.526 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.540 11.216 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.947 10.414 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.274 9.527 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.405 10.784 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.224 12.771 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.653 13.233 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.020 13.606 0.458 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.374 11.525 4.394 1.00 0.00 N ATOM 1701 CA LYS A 110 -1.115 11.674 5.115 1.00 0.00 C ATOM 1702 C LYS A 110 -0.663 10.341 5.702 1.00 0.00 C ATOM 1703 O LYS A 110 0.525 10.022 5.702 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.261 12.711 6.230 1.00 0.00 C ATOM 1705 CG LYS A 110 -1.115 14.145 5.751 1.00 0.00 C ATOM 1706 CD LYS A 110 0.333 14.483 5.435 1.00 0.00 C ATOM 1707 CE LYS A 110 1.058 15.026 6.657 1.00 0.00 C ATOM 1708 NZ LYS A 110 1.671 13.937 7.467 1.00 0.00 N ATOM 0 H LYS A 110 -3.031 12.293 4.530 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.359 12.015 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.237 12.592 6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.512 12.515 6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.727 14.297 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.490 14.825 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.845 13.592 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.369 15.219 4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.833 15.723 6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.358 15.588 7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.503 14.305 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.977 13.584 8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.962 13.160 6.840 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.620 9.565 6.201 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.321 8.265 6.788 1.00 0.00 C ATOM 1724 C ALA A 111 -0.922 7.257 5.716 1.00 0.00 C ATOM 1725 O ALA A 111 0.208 6.767 5.701 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.517 7.753 7.577 1.00 0.00 C ATOM 0 H ALA A 111 -2.609 9.815 6.210 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.477 8.387 7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.279 6.781 8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.755 8.457 8.375 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.376 7.654 6.913 1.00 0.00 H new ATOM 1732 N ILE A 112 -1.855 6.952 4.820 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.600 6.003 3.744 1.00 0.00 C ATOM 1734 C ILE A 112 -0.280 6.307 3.044 1.00 0.00 C ATOM 1735 O ILE A 112 0.650 5.499 3.069 1.00 0.00 O ATOM 1736 CB ILE A 112 -2.734 6.014 2.703 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.059 5.613 3.355 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.403 5.080 1.548 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -4.837 6.785 3.912 1.00 0.00 C ATOM 0 H ILE A 112 -2.795 7.349 4.818 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.547 5.015 4.201 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.835 7.026 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.675 5.095 2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.859 4.905 4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.215 5.099 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.479 5.406 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.278 4.065 1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.764 6.427 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.240 7.290 4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.068 7.484 3.108 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.203 7.478 2.422 1.00 0.00 N ATOM 1752 CA LEU A 113 1.005 7.891 1.716 1.00 0.00 C ATOM 1753 C LEU A 113 2.254 7.392 2.435 1.00 0.00 C ATOM 1754 O LEU A 113 3.141 6.800 1.822 1.00 0.00 O ATOM 1755 CB LEU A 113 1.050 9.415 1.591 1.00 0.00 C ATOM 1756 CG LEU A 113 0.006 10.044 0.668 1.00 0.00 C ATOM 1757 CD1 LEU A 113 0.181 11.554 0.614 1.00 0.00 C ATOM 1758 CD2 LEU A 113 0.098 9.445 -0.728 1.00 0.00 C ATOM 0 H LEU A 113 -0.962 8.158 2.392 1.00 0.00 H new ATOM 0 HA LEU A 113 0.982 7.451 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.932 9.845 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.040 9.701 1.235 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.984 9.828 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.571 11.984 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.064 11.970 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.175 11.792 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.652 9.905 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.091 9.630 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.078 8.371 -0.675 1.00 0.00 H new ATOM 1770 N GLY A 114 2.315 7.633 3.741 1.00 0.00 N ATOM 1771 CA GLY A 114 3.458 7.199 4.523 1.00 0.00 C ATOM 1772 C GLY A 114 3.736 5.717 4.370 1.00 0.00 C ATOM 1773 O GLY A 114 4.859 5.316 4.062 1.00 0.00 O ATOM 0 H GLY A 114 1.593 8.121 4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.339 7.764 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.282 7.426 5.575 1.00 0.00 H new ATOM 1777 N LEU A 115 2.712 4.899 4.588 1.00 0.00 N ATOM 1778 CA LEU A 115 2.851 3.451 4.474 1.00 0.00 C ATOM 1779 C LEU A 115 3.465 3.067 3.132 1.00 0.00 C ATOM 1780 O LEU A 115 4.485 2.380 3.078 1.00 0.00 O ATOM 1781 CB LEU A 115 1.490 2.774 4.638 1.00 0.00 C ATOM 1782 CG LEU A 115 1.300 1.457 3.884 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.344 0.544 4.637 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.792 1.718 2.474 1.00 0.00 C ATOM 0 H LEU A 115 1.776 5.214 4.845 1.00 0.00 H new ATOM 0 HA LEU A 115 3.517 3.111 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.324 2.589 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.718 3.471 4.312 1.00 0.00 H new ATOM 0 HG LEU A 115 2.267 0.958 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.221 -0.388 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.749 0.330 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.624 1.035 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.663 0.770 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.164 2.239 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.513 2.333 1.935 1.00 0.00 H new ATOM 1796 N PHE A 116 2.838 3.517 2.050 1.00 0.00 N ATOM 1797 CA PHE A 116 3.323 3.221 0.707 1.00 0.00 C ATOM 1798 C PHE A 116 4.665 3.901 0.451 1.00 0.00 C ATOM 1799 O PHE A 116 5.407 3.516 -0.453 1.00 0.00 O ATOM 1800 CB PHE A 116 2.302 3.675 -0.338 1.00 0.00 C ATOM 1801 CG PHE A 116 1.299 2.615 -0.695 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.640 1.578 -1.548 1.00 0.00 C ATOM 1803 CD2 PHE A 116 0.014 2.657 -0.179 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.720 0.601 -1.878 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -0.911 1.683 -0.505 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.558 0.655 -1.357 1.00 0.00 C ATOM 0 H PHE A 116 1.993 4.088 2.077 1.00 0.00 H new ATOM 0 HA PHE A 116 3.461 2.143 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.774 4.552 0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.830 3.983 -1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.637 1.533 -1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.268 3.460 0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.000 -0.203 -2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.909 1.726 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.280 -0.105 -1.615 1.00 0.00 H new ATOM 1816 N PHE A 117 4.970 4.915 1.254 1.00 0.00 N ATOM 1817 CA PHE A 117 6.222 5.651 1.115 1.00 0.00 C ATOM 1818 C PHE A 117 7.398 4.824 1.625 1.00 0.00 C ATOM 1819 O PHE A 117 8.505 4.905 1.093 1.00 0.00 O ATOM 1820 CB PHE A 117 6.147 6.976 1.877 1.00 0.00 C ATOM 1821 CG PHE A 117 7.345 7.856 1.667 1.00 0.00 C ATOM 1822 CD1 PHE A 117 8.569 7.527 2.227 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.248 9.013 0.912 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.675 8.335 2.036 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.349 9.825 0.717 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.564 9.486 1.281 1.00 0.00 C ATOM 0 H PHE A 117 4.368 5.246 2.008 1.00 0.00 H new ATOM 0 HA PHE A 117 6.378 5.857 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.252 7.514 1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 117 6.041 6.768 2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 117 8.660 6.629 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.300 9.284 0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 117 10.624 8.066 2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.260 10.724 0.124 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.425 10.120 1.132 1.00 0.00 H new ATOM 1836 N SER A 118 7.150 4.028 2.661 1.00 0.00 N ATOM 1837 CA SER A 118 8.188 3.189 3.247 1.00 0.00 C ATOM 1838 C SER A 118 8.182 1.799 2.619 1.00 0.00 C ATOM 1839 O SER A 118 9.237 1.222 2.351 1.00 0.00 O ATOM 1840 CB SER A 118 7.990 3.078 4.760 1.00 0.00 C ATOM 1841 OG SER A 118 6.672 2.663 5.073 1.00 0.00 O ATOM 0 H SER A 118 6.238 3.947 3.112 1.00 0.00 H new ATOM 0 HA SER A 118 9.153 3.655 3.047 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.706 2.367 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.192 4.042 5.228 1.00 0.00 H new ATOM 0 HG SER A 118 6.572 2.598 6.046 1.00 0.00 H new ATOM 1847 N LEU A 119 6.988 1.267 2.386 1.00 0.00 N ATOM 1848 CA LEU A 119 6.842 -0.056 1.789 1.00 0.00 C ATOM 1849 C LEU A 119 7.544 -0.123 0.436 1.00 0.00 C ATOM 1850 O LEU A 119 8.300 -1.055 0.164 1.00 0.00 O ATOM 1851 CB LEU A 119 5.362 -0.404 1.626 1.00 0.00 C ATOM 1852 CG LEU A 119 5.042 -1.541 0.655 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.634 -2.850 1.152 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.538 -1.672 0.463 1.00 0.00 C ATOM 0 H LEU A 119 6.106 1.732 2.601 1.00 0.00 H new ATOM 0 HA LEU A 119 7.308 -0.782 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.961 -0.666 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.834 0.490 1.294 1.00 0.00 H new ATOM 0 HG LEU A 119 5.492 -1.306 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.396 -3.647 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.716 -2.751 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.215 -3.091 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.329 -2.486 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.066 -1.883 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.140 -0.741 0.060 1.00 0.00 H new ATOM 1866 N SER A 120 7.289 0.873 -0.407 1.00 0.00 N ATOM 1867 CA SER A 120 7.895 0.927 -1.732 1.00 0.00 C ATOM 1868 C SER A 120 9.412 0.792 -1.641 1.00 0.00 C ATOM 1869 O SER A 120 10.043 0.165 -2.494 1.00 0.00 O ATOM 1870 CB SER A 120 7.529 2.238 -2.430 1.00 0.00 C ATOM 1871 OG SER A 120 7.752 2.150 -3.827 1.00 0.00 O ATOM 0 H SER A 120 6.667 1.653 -0.196 1.00 0.00 H new ATOM 0 HA SER A 120 7.508 0.092 -2.316 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.482 2.475 -2.240 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.121 3.053 -2.014 1.00 0.00 H new ATOM 0 HG SER A 120 7.185 1.446 -4.205 1.00 0.00 H new ATOM 1877 N ARG A 121 9.992 1.383 -0.602 1.00 0.00 N ATOM 1878 CA ARG A 121 11.435 1.331 -0.400 1.00 0.00 C ATOM 1879 C ARG A 121 11.905 -0.108 -0.210 1.00 0.00 C ATOM 1880 O ARG A 121 12.845 -0.557 -0.866 1.00 0.00 O ATOM 1881 CB ARG A 121 11.832 2.173 0.814 1.00 0.00 C ATOM 1882 CG ARG A 121 11.369 3.619 0.730 1.00 0.00 C ATOM 1883 CD ARG A 121 11.999 4.470 1.821 1.00 0.00 C ATOM 1884 NE ARG A 121 13.457 4.471 1.740 1.00 0.00 N ATOM 1885 CZ ARG A 121 14.231 5.308 2.423 1.00 0.00 C ATOM 1886 NH1 ARG A 121 13.687 6.205 3.234 1.00 0.00 N ATOM 1887 NH2 ARG A 121 15.550 5.248 2.296 1.00 0.00 N ATOM 0 H ARG A 121 9.485 1.904 0.113 1.00 0.00 H new ATOM 0 HA ARG A 121 11.916 1.738 -1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.415 1.719 1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.917 2.153 0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.627 4.029 -0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.283 3.660 0.816 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.631 5.493 1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.690 4.095 2.797 1.00 0.00 H new ATOM 0 HE ARG A 121 13.906 3.792 1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 121 12.673 6.253 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 121 14.282 6.847 3.758 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.972 4.559 1.673 1.00 0.00 H new ATOM 0 HH22 ARG A 121 16.143 5.891 2.821 1.00 0.00 H new ATOM 1901 N TYR A 122 11.246 -0.826 0.693 1.00 0.00 N ATOM 1902 CA TYR A 122 11.598 -2.213 0.972 1.00 0.00 C ATOM 1903 C TYR A 122 11.848 -2.982 -0.322 1.00 0.00 C ATOM 1904 O TYR A 122 12.688 -3.881 -0.372 1.00 0.00 O ATOM 1905 CB TYR A 122 10.487 -2.892 1.775 1.00 0.00 C ATOM 1906 CG TYR A 122 10.421 -4.388 1.573 1.00 0.00 C ATOM 1907 CD1 TYR A 122 10.021 -4.928 0.357 1.00 0.00 C ATOM 1908 CD2 TYR A 122 10.758 -5.263 2.598 1.00 0.00 C ATOM 1909 CE1 TYR A 122 9.959 -6.295 0.167 1.00 0.00 C ATOM 1910 CE2 TYR A 122 10.700 -6.632 2.418 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.300 -7.143 1.201 1.00 0.00 C ATOM 1912 OH TYR A 122 10.240 -8.505 1.017 1.00 0.00 O ATOM 0 H TYR A 122 10.465 -0.470 1.244 1.00 0.00 H new ATOM 0 HA TYR A 122 12.516 -2.217 1.560 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.637 -2.683 2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.529 -2.454 1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.754 -4.267 -0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.071 -4.866 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.646 -6.698 -0.785 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.966 -7.298 3.226 1.00 0.00 H new ATOM 0 HH TYR A 122 10.513 -8.959 1.842 1.00 0.00 H new ATOM 1922 N LYS A 123 11.111 -2.623 -1.368 1.00 0.00 N ATOM 1923 CA LYS A 123 11.252 -3.276 -2.664 1.00 0.00 C ATOM 1924 C LYS A 123 12.538 -2.839 -3.357 1.00 0.00 C ATOM 1925 O LYS A 123 13.303 -3.669 -3.846 1.00 0.00 O ATOM 1926 CB LYS A 123 10.047 -2.957 -3.552 1.00 0.00 C ATOM 1927 CG LYS A 123 10.203 -3.439 -4.984 1.00 0.00 C ATOM 1928 CD LYS A 123 10.089 -4.951 -5.079 1.00 0.00 C ATOM 1929 CE LYS A 123 9.697 -5.394 -6.480 1.00 0.00 C ATOM 1930 NZ LYS A 123 10.889 -5.635 -7.340 1.00 0.00 N ATOM 0 H LYS A 123 10.410 -1.883 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 123 11.298 -4.352 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.156 -3.412 -3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.884 -1.879 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.440 -2.976 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.171 -3.121 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.041 -5.406 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.348 -5.307 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.103 -6.306 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.066 -4.632 -6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.579 -5.935 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.443 -4.758 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.478 -6.380 -6.916 1.00 0.00 H new ATOM 1944 N GLN A 124 12.770 -1.530 -3.393 1.00 0.00 N ATOM 1945 CA GLN A 124 13.965 -0.984 -4.026 1.00 0.00 C ATOM 1946 C GLN A 124 15.188 -1.173 -3.135 1.00 0.00 C ATOM 1947 O GLN A 124 16.269 -0.667 -3.434 1.00 0.00 O ATOM 1948 CB GLN A 124 13.770 0.501 -4.336 1.00 0.00 C ATOM 1949 CG GLN A 124 14.245 1.422 -3.224 1.00 0.00 C ATOM 1950 CD GLN A 124 13.638 2.809 -3.315 1.00 0.00 C ATOM 1951 OE1 GLN A 124 13.186 3.369 -2.316 1.00 0.00 O ATOM 1952 NE2 GLN A 124 13.626 3.371 -4.518 1.00 0.00 N ATOM 0 H GLN A 124 12.147 -0.829 -2.992 1.00 0.00 H new ATOM 0 HA GLN A 124 14.131 -1.524 -4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 124 14.306 0.746 -5.253 1.00 0.00 H new ATOM 0 HB3 GLN A 124 12.713 0.688 -4.525 1.00 0.00 H new ATOM 0 HG2 GLN A 124 13.992 0.981 -2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 124 15.331 1.502 -3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 124 14.012 2.870 -5.319 1.00 0.00 H new ATOM 0 HE22 GLN A 124 13.231 4.303 -4.641 1.00 0.00 H new