USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 804 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 54 THR OG1 : rot 21:sc= -0.201! USER MOD Set 1.2: A 57 SER OG : rot -55:sc= 0.794 USER MOD Single : A 17 THR OG1 : rot 39:sc= 0.825 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.338 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -6.87! C(o=-6.9!,f=-14!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -138:sc= -0.241 (180deg=-2.19!) USER MOD Single : A 35 TYR OH : rot 130:sc= -0.772 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 42 HIS : no HD1:sc= 0.625 K(o=0.62,f=-3!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -16:sc= 0.797! USER MOD Single : A 48 ASN : amide:sc= -2.4! C(o=-2.4!,f=-3!) USER MOD Single : A 50 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.5!) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc=-0.00692 X(o=-0.0069,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.642 X(o=-0.64,f=-0.55) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -170:sc= -2.42! USER MOD Single : A 70 TYR OH : rot 180:sc= -1.65 USER MOD Single : A 71 SER OG : rot -58:sc= 1.3 USER MOD Single : A 72 MET CE :methyl -144:sc= -8.5! (180deg=-12.8!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 76 ASN : amide:sc= -3.2! C(o=-3.2!,f=-3.2!) USER MOD Single : A 79 LYS NZ :NH3+ -144:sc= -0.186 (180deg=-1.44!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 104:sc= 1.02 USER MOD Single : A 87 SER OG : rot 180:sc= -0.169 USER MOD Single : A 88 LYS NZ :NH3+ -106:sc= -0.716 (180deg=-2.31!) USER MOD Single : A 89 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0819) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc=0.000631 USER MOD Single : A 94 THR OG1 : rot -9:sc= 0.183 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 137:sc= 0.794 (180deg=-1.2!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 106 THR OG1 : rot -160:sc= -0.0251 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N THR A 17 -7.930 -6.595 9.814 1.00 0.00 N ATOM 198 CA THR A 17 -7.704 -5.761 8.645 1.00 0.00 C ATOM 199 C THR A 17 -7.572 -6.627 7.390 1.00 0.00 C ATOM 200 O THR A 17 -7.074 -7.750 7.456 1.00 0.00 O ATOM 201 CB THR A 17 -6.474 -4.892 8.916 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.400 -4.828 10.337 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.679 -3.438 8.487 1.00 0.00 C ATOM 0 HA THR A 17 -8.552 -5.101 8.459 1.00 0.00 H new ATOM 0 HB THR A 17 -5.614 -5.307 8.391 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.634 -5.701 10.716 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.777 -2.865 8.701 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.888 -3.400 7.418 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.519 -3.012 9.036 1.00 0.00 H new ATOM 211 N VAL A 18 -8.027 -6.071 6.277 1.00 0.00 N ATOM 212 CA VAL A 18 -7.967 -6.778 5.009 1.00 0.00 C ATOM 213 C VAL A 18 -6.531 -6.745 4.479 1.00 0.00 C ATOM 214 O VAL A 18 -5.759 -5.852 4.825 1.00 0.00 O ATOM 215 CB VAL A 18 -8.979 -6.183 4.029 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.708 -6.662 2.601 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.412 -6.510 4.454 1.00 0.00 C ATOM 0 H VAL A 18 -8.439 -5.139 6.227 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.241 -7.825 5.142 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.863 -5.099 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.442 -6.224 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.707 -6.355 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.782 -7.749 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.111 -6.075 3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.546 -7.591 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.601 -6.097 5.445 1.00 0.00 H new ATOM 227 N LYS A 19 -6.218 -7.729 3.650 1.00 0.00 N ATOM 228 CA LYS A 19 -4.889 -7.823 3.069 1.00 0.00 C ATOM 229 C LYS A 19 -4.946 -7.394 1.602 1.00 0.00 C ATOM 230 O LYS A 19 -5.713 -7.951 0.817 1.00 0.00 O ATOM 231 CB LYS A 19 -4.312 -9.225 3.277 1.00 0.00 C ATOM 232 CG LYS A 19 -4.718 -10.160 2.136 1.00 0.00 C ATOM 233 CD LYS A 19 -4.692 -11.621 2.589 1.00 0.00 C ATOM 234 CE LYS A 19 -3.922 -12.490 1.593 1.00 0.00 C ATOM 235 NZ LYS A 19 -4.545 -13.828 1.482 1.00 0.00 N ATOM 0 H LYS A 19 -6.861 -8.468 3.366 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.204 -7.142 3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.225 -9.170 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.664 -9.630 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.718 -9.901 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.041 -10.025 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.229 -11.692 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.712 -11.993 2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.907 -12.007 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.885 -12.591 1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.010 -14.405 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.537 -14.293 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.527 -13.728 1.154 1.00 0.00 H new ATOM 249 N ILE A 20 -4.126 -6.406 1.275 1.00 0.00 N ATOM 250 CA ILE A 20 -4.074 -5.895 -0.084 1.00 0.00 C ATOM 251 C ILE A 20 -3.140 -6.773 -0.919 1.00 0.00 C ATOM 252 O ILE A 20 -1.934 -6.534 -0.966 1.00 0.00 O ATOM 253 CB ILE A 20 -3.690 -4.414 -0.085 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.541 -3.626 0.912 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.770 -3.828 -1.497 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.081 -2.169 0.994 1.00 0.00 C ATOM 0 H ILE A 20 -3.492 -5.946 1.928 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.059 -5.946 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.653 -4.330 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.588 -3.664 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.475 -4.088 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.492 -2.774 -1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.087 -4.367 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.788 -3.925 -1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.703 -1.631 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.041 -2.134 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.171 -1.703 0.013 1.00 0.00 H new ATOM 268 N SER A 21 -3.732 -7.772 -1.557 1.00 0.00 N ATOM 269 CA SER A 21 -2.968 -8.687 -2.388 1.00 0.00 C ATOM 270 C SER A 21 -2.658 -8.035 -3.737 1.00 0.00 C ATOM 271 O SER A 21 -1.494 -7.879 -4.102 1.00 0.00 O ATOM 272 CB SER A 21 -3.722 -10.002 -2.595 1.00 0.00 C ATOM 273 OG SER A 21 -3.931 -10.697 -1.369 1.00 0.00 O ATOM 0 H SER A 21 -4.732 -7.968 -1.515 1.00 0.00 H new ATOM 0 HA SER A 21 -2.032 -8.912 -1.877 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.684 -9.798 -3.064 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.161 -10.637 -3.281 1.00 0.00 H new ATOM 0 HG SER A 21 -4.417 -11.530 -1.544 1.00 0.00 H new ATOM 279 N ASN A 22 -3.720 -7.671 -4.440 1.00 0.00 N ATOM 280 CA ASN A 22 -3.576 -7.039 -5.741 1.00 0.00 C ATOM 281 C ASN A 22 -3.340 -5.540 -5.551 1.00 0.00 C ATOM 282 O ASN A 22 -4.180 -4.842 -4.984 1.00 0.00 O ATOM 283 CB ASN A 22 -4.842 -7.216 -6.582 1.00 0.00 C ATOM 284 CG ASN A 22 -4.519 -7.868 -7.928 1.00 0.00 C ATOM 285 OD1 ASN A 22 -4.239 -7.209 -8.916 1.00 0.00 O ATOM 286 ND2 ASN A 22 -4.574 -9.197 -7.912 1.00 0.00 N ATOM 0 H ASN A 22 -4.684 -7.801 -4.134 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.735 -7.507 -6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.560 -7.830 -6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.312 -6.246 -6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.375 -9.726 -8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.815 -9.687 -7.051 1.00 0.00 H new ATOM 293 N TYR A 23 -2.192 -5.088 -6.036 1.00 0.00 N ATOM 294 CA TYR A 23 -1.835 -3.684 -5.927 1.00 0.00 C ATOM 295 C TYR A 23 -0.958 -3.248 -7.103 1.00 0.00 C ATOM 296 O TYR A 23 0.007 -3.928 -7.447 1.00 0.00 O ATOM 297 CB TYR A 23 -1.032 -3.553 -4.631 1.00 0.00 C ATOM 298 CG TYR A 23 0.186 -4.476 -4.557 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.337 -4.156 -5.246 1.00 0.00 C ATOM 300 CD2 TYR A 23 0.132 -5.630 -3.802 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.483 -5.025 -5.177 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.277 -6.499 -3.732 1.00 0.00 C ATOM 303 CZ TYR A 23 2.397 -6.154 -4.423 1.00 0.00 C ATOM 304 OH TYR A 23 3.479 -6.975 -4.358 1.00 0.00 O ATOM 0 H TYR A 23 -1.498 -5.670 -6.505 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.728 -3.059 -5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.699 -2.520 -4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.688 -3.765 -3.786 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.379 -3.253 -5.837 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.770 -5.881 -3.263 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.390 -4.786 -5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.248 -7.405 -3.144 1.00 0.00 H new ATOM 0 HH TYR A 23 3.274 -7.741 -3.783 1.00 0.00 H new ATOM 314 N GLY A 24 -1.326 -2.117 -7.686 1.00 0.00 N ATOM 315 CA GLY A 24 -0.585 -1.583 -8.816 1.00 0.00 C ATOM 316 C GLY A 24 0.639 -0.795 -8.346 1.00 0.00 C ATOM 317 O GLY A 24 0.549 0.002 -7.413 1.00 0.00 O ATOM 0 H GLY A 24 -2.127 -1.556 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.269 -2.399 -9.466 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.233 -0.936 -9.408 1.00 0.00 H new ATOM 321 N TRP A 25 1.756 -1.046 -9.013 1.00 0.00 N ATOM 322 CA TRP A 25 2.997 -0.370 -8.675 1.00 0.00 C ATOM 323 C TRP A 25 3.742 -0.069 -9.978 1.00 0.00 C ATOM 324 O TRP A 25 3.637 -0.821 -10.945 1.00 0.00 O ATOM 325 CB TRP A 25 3.825 -1.202 -7.693 1.00 0.00 C ATOM 326 CG TRP A 25 4.451 -2.453 -8.311 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.901 -3.667 -8.454 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.779 -2.565 -8.867 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.773 -4.549 -9.059 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.951 -3.858 -9.318 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.800 -1.606 -8.984 1.00 0.00 C ATOM 332 CZ2 TRP A 25 7.133 -4.309 -9.917 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.974 -2.073 -9.585 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.164 -3.371 -10.045 1.00 0.00 C ATOM 0 H TRP A 25 1.828 -1.708 -9.786 1.00 0.00 H new ATOM 0 HA TRP A 25 2.796 0.571 -8.163 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.618 -0.577 -7.282 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.189 -1.500 -6.859 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.901 -3.923 -8.136 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.587 -5.528 -9.276 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.687 -0.589 -8.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.244 -5.326 -10.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.791 -1.376 -9.700 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.102 -3.654 -10.499 1.00 0.00 H new ATOM 345 N ASP A 26 4.477 1.033 -9.960 1.00 0.00 N ATOM 346 CA ASP A 26 5.238 1.443 -11.128 1.00 0.00 C ATOM 347 C ASP A 26 6.547 2.094 -10.675 1.00 0.00 C ATOM 348 O ASP A 26 6.612 2.681 -9.596 1.00 0.00 O ATOM 349 CB ASP A 26 4.463 2.468 -11.959 1.00 0.00 C ATOM 350 CG ASP A 26 2.981 2.148 -12.161 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.326 1.827 -11.146 1.00 0.00 O ATOM 352 OD2 ASP A 26 2.536 2.232 -13.326 1.00 0.00 O ATOM 0 H ASP A 26 4.562 1.654 -9.156 1.00 0.00 H new ATOM 0 HA ASP A 26 5.428 0.558 -11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.547 3.442 -11.477 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.937 2.554 -12.937 1.00 0.00 H new ATOM 357 N GLN A 27 7.558 1.968 -11.523 1.00 0.00 N ATOM 358 CA GLN A 27 8.861 2.537 -11.224 1.00 0.00 C ATOM 359 C GLN A 27 9.362 3.368 -12.407 1.00 0.00 C ATOM 360 O GLN A 27 9.100 3.032 -13.561 1.00 0.00 O ATOM 361 CB GLN A 27 9.865 1.443 -10.857 1.00 0.00 C ATOM 362 CG GLN A 27 10.185 0.564 -12.068 1.00 0.00 C ATOM 363 CD GLN A 27 9.197 -0.600 -12.176 1.00 0.00 C ATOM 364 OE1 GLN A 27 8.075 -0.542 -11.700 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.675 -1.656 -12.828 1.00 0.00 N ATOM 0 H GLN A 27 7.501 1.480 -12.417 1.00 0.00 H new ATOM 0 HA GLN A 27 8.759 3.195 -10.361 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.782 1.897 -10.480 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.460 0.828 -10.053 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.147 1.164 -12.977 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.201 0.177 -11.983 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.624 -1.638 -13.201 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.093 -2.484 -12.955 1.00 0.00 H new ATOM 374 N SER A 28 10.073 4.436 -12.079 1.00 0.00 N ATOM 375 CA SER A 28 10.613 5.318 -13.100 1.00 0.00 C ATOM 376 C SER A 28 12.024 5.764 -12.713 1.00 0.00 C ATOM 377 O SER A 28 12.349 5.852 -11.530 1.00 0.00 O ATOM 378 CB SER A 28 9.710 6.535 -13.311 1.00 0.00 C ATOM 379 OG SER A 28 8.823 6.357 -14.412 1.00 0.00 O ATOM 0 H SER A 28 10.288 4.711 -11.121 1.00 0.00 H new ATOM 0 HA SER A 28 10.658 4.767 -14.039 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.132 6.719 -12.406 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.326 7.418 -13.481 1.00 0.00 H new ATOM 0 HG SER A 28 8.262 7.155 -14.513 1.00 0.00 H new ATOM 385 N ASP A 29 12.826 6.035 -13.733 1.00 0.00 N ATOM 386 CA ASP A 29 14.195 6.470 -13.514 1.00 0.00 C ATOM 387 C ASP A 29 14.187 7.816 -12.788 1.00 0.00 C ATOM 388 O ASP A 29 14.378 8.862 -13.407 1.00 0.00 O ATOM 389 CB ASP A 29 14.933 6.654 -14.842 1.00 0.00 C ATOM 390 CG ASP A 29 15.031 5.396 -15.707 1.00 0.00 C ATOM 391 OD1 ASP A 29 15.224 4.312 -15.113 1.00 0.00 O ATOM 392 OD2 ASP A 29 14.910 5.545 -16.942 1.00 0.00 O ATOM 0 H ASP A 29 12.554 5.962 -14.713 1.00 0.00 H new ATOM 0 HA ASP A 29 14.701 5.707 -12.922 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.430 7.433 -15.415 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.941 7.013 -14.634 1.00 0.00 H new ATOM 397 N LYS A 30 13.964 7.747 -11.483 1.00 0.00 N ATOM 398 CA LYS A 30 13.929 8.948 -10.666 1.00 0.00 C ATOM 399 C LYS A 30 13.410 8.594 -9.270 1.00 0.00 C ATOM 400 O LYS A 30 14.068 8.874 -8.270 1.00 0.00 O ATOM 401 CB LYS A 30 13.123 10.047 -11.361 1.00 0.00 C ATOM 402 CG LYS A 30 14.014 11.238 -11.717 1.00 0.00 C ATOM 403 CD LYS A 30 13.196 12.363 -12.354 1.00 0.00 C ATOM 404 CE LYS A 30 13.319 12.335 -13.879 1.00 0.00 C ATOM 405 NZ LYS A 30 11.994 12.120 -14.502 1.00 0.00 N ATOM 0 H LYS A 30 13.806 6.878 -10.972 1.00 0.00 H new ATOM 0 HA LYS A 30 14.933 9.353 -10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.663 9.649 -12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.313 10.376 -10.710 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.510 11.607 -10.819 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.797 10.918 -12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.149 12.263 -12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.539 13.326 -11.976 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.746 13.274 -14.233 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.002 11.541 -14.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.096 12.104 -15.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.601 11.213 -14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.353 12.892 -14.229 1.00 0.00 H new ATOM 419 N PHE A 31 12.234 7.984 -9.248 1.00 0.00 N ATOM 420 CA PHE A 31 11.619 7.590 -7.992 1.00 0.00 C ATOM 421 C PHE A 31 10.633 6.439 -8.202 1.00 0.00 C ATOM 422 O PHE A 31 10.251 6.143 -9.334 1.00 0.00 O ATOM 423 CB PHE A 31 10.858 8.808 -7.465 1.00 0.00 C ATOM 424 CG PHE A 31 11.705 10.078 -7.372 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.683 10.177 -6.431 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.481 11.110 -8.229 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.469 11.356 -6.345 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.267 12.289 -8.143 1.00 0.00 C ATOM 429 CZ PHE A 31 13.244 12.387 -7.202 1.00 0.00 C ATOM 0 H PHE A 31 11.691 7.753 -10.080 1.00 0.00 H new ATOM 0 HA PHE A 31 12.384 7.254 -7.292 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.004 9.000 -8.115 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.460 8.576 -6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.861 9.358 -5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.704 11.032 -8.976 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.246 11.434 -5.599 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.089 13.108 -8.825 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.841 13.284 -7.136 1.00 0.00 H new ATOM 439 N VAL A 32 10.249 5.821 -7.095 1.00 0.00 N ATOM 440 CA VAL A 32 9.314 4.710 -7.144 1.00 0.00 C ATOM 441 C VAL A 32 7.988 5.136 -6.511 1.00 0.00 C ATOM 442 O VAL A 32 7.974 5.864 -5.520 1.00 0.00 O ATOM 443 CB VAL A 32 9.929 3.480 -6.472 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.875 2.394 -6.246 1.00 0.00 C ATOM 445 CG2 VAL A 32 11.106 2.941 -7.288 1.00 0.00 C ATOM 0 H VAL A 32 10.568 6.069 -6.158 1.00 0.00 H new ATOM 0 HA VAL A 32 9.106 4.431 -8.177 1.00 0.00 H new ATOM 0 HB VAL A 32 10.309 3.785 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.338 1.531 -5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.084 2.783 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.451 2.093 -7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.525 2.067 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.761 2.660 -8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.872 3.712 -7.374 1.00 0.00 H new ATOM 455 N LYS A 33 6.905 4.664 -7.110 1.00 0.00 N ATOM 456 CA LYS A 33 5.576 4.987 -6.618 1.00 0.00 C ATOM 457 C LYS A 33 4.652 3.787 -6.834 1.00 0.00 C ATOM 458 O LYS A 33 4.829 3.025 -7.783 1.00 0.00 O ATOM 459 CB LYS A 33 5.067 6.279 -7.260 1.00 0.00 C ATOM 460 CG LYS A 33 3.561 6.442 -7.043 1.00 0.00 C ATOM 461 CD LYS A 33 3.134 7.899 -7.234 1.00 0.00 C ATOM 462 CE LYS A 33 3.681 8.462 -8.547 1.00 0.00 C ATOM 463 NZ LYS A 33 3.567 9.938 -8.565 1.00 0.00 N ATOM 0 H LYS A 33 6.920 4.060 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 33 5.603 5.180 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.594 7.133 -6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.285 6.269 -8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.018 5.806 -7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.297 6.110 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.046 7.967 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.494 8.500 -6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.724 8.170 -8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.132 8.039 -9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.243 10.250 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.882 10.242 -7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.495 10.360 -8.361 1.00 0.00 H new ATOM 477 N ILE A 34 3.685 3.657 -5.937 1.00 0.00 N ATOM 478 CA ILE A 34 2.732 2.563 -6.017 1.00 0.00 C ATOM 479 C ILE A 34 1.312 3.130 -6.038 1.00 0.00 C ATOM 480 O ILE A 34 1.045 4.168 -5.435 1.00 0.00 O ATOM 481 CB ILE A 34 2.976 1.556 -4.890 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.363 0.922 -5.012 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.866 0.504 -4.845 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.320 1.488 -3.961 1.00 0.00 C ATOM 0 H ILE A 34 3.541 4.291 -5.151 1.00 0.00 H new ATOM 0 HA ILE A 34 2.867 2.007 -6.945 1.00 0.00 H new ATOM 0 HB ILE A 34 2.950 2.092 -3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.284 -0.159 -4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.764 1.104 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.064 -0.199 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.907 0.994 -4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.835 -0.033 -5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.298 1.020 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.415 2.565 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.929 1.283 -2.965 1.00 0.00 H new ATOM 496 N TYR A 35 0.437 2.423 -6.739 1.00 0.00 N ATOM 497 CA TYR A 35 -0.950 2.843 -6.847 1.00 0.00 C ATOM 498 C TYR A 35 -1.899 1.682 -6.547 1.00 0.00 C ATOM 499 O TYR A 35 -2.024 0.755 -7.347 1.00 0.00 O ATOM 500 CB TYR A 35 -1.145 3.285 -8.298 1.00 0.00 C ATOM 501 CG TYR A 35 0.053 4.032 -8.888 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.233 3.360 -9.133 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.046 5.378 -9.175 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.360 4.063 -9.688 1.00 0.00 C ATOM 505 CE2 TYR A 35 1.081 6.082 -9.730 1.00 0.00 C ATOM 506 CZ TYR A 35 2.229 5.389 -9.959 1.00 0.00 C ATOM 507 OH TYR A 35 3.294 6.053 -10.483 1.00 0.00 O ATOM 0 H TYR A 35 0.662 1.562 -7.238 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.167 3.640 -6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.350 2.407 -8.910 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.025 3.926 -8.357 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.311 2.307 -8.908 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.970 5.904 -8.983 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.289 3.549 -9.885 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.016 7.135 -9.959 1.00 0.00 H new ATOM 0 HH TYR A 35 3.008 6.558 -11.273 1.00 0.00 H new ATOM 517 N ILE A 36 -2.545 1.769 -5.394 1.00 0.00 N ATOM 518 CA ILE A 36 -3.480 0.737 -4.979 1.00 0.00 C ATOM 519 C ILE A 36 -4.909 1.264 -5.118 1.00 0.00 C ATOM 520 O ILE A 36 -5.155 2.457 -4.944 1.00 0.00 O ATOM 521 CB ILE A 36 -3.141 0.242 -3.572 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.760 -0.417 -3.540 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.233 -0.689 -3.041 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.772 0.420 -2.726 1.00 0.00 C ATOM 0 H ILE A 36 -2.439 2.539 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.397 -0.135 -5.627 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.101 1.104 -2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.839 -1.415 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.387 -0.539 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.968 -1.027 -2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.182 -0.153 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.329 -1.551 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.201 -0.071 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.677 1.409 -3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.135 0.519 -1.703 1.00 0.00 H new ATOM 536 N THR A 37 -5.816 0.349 -5.430 1.00 0.00 N ATOM 537 CA THR A 37 -7.214 0.707 -5.594 1.00 0.00 C ATOM 538 C THR A 37 -7.976 0.497 -4.283 1.00 0.00 C ATOM 539 O THR A 37 -8.287 -0.635 -3.916 1.00 0.00 O ATOM 540 CB THR A 37 -7.777 -0.108 -6.760 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.301 0.570 -7.919 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.300 -0.004 -6.867 1.00 0.00 C ATOM 0 H THR A 37 -5.609 -0.639 -5.573 1.00 0.00 H new ATOM 0 HA THR A 37 -7.326 1.765 -5.833 1.00 0.00 H new ATOM 0 HB THR A 37 -7.492 -1.154 -6.642 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.618 0.107 -8.722 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.647 -0.601 -7.710 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.755 -0.374 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.584 1.037 -7.018 1.00 0.00 H new ATOM 550 N LEU A 38 -8.253 1.606 -3.614 1.00 0.00 N ATOM 551 CA LEU A 38 -8.972 1.559 -2.352 1.00 0.00 C ATOM 552 C LEU A 38 -10.054 2.640 -2.345 1.00 0.00 C ATOM 553 O LEU A 38 -9.767 3.810 -2.095 1.00 0.00 O ATOM 554 CB LEU A 38 -7.998 1.656 -1.176 1.00 0.00 C ATOM 555 CG LEU A 38 -8.230 0.670 -0.029 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.724 0.424 0.188 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.462 -0.633 -0.263 1.00 0.00 C ATOM 0 H LEU A 38 -7.993 2.543 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.478 0.600 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.986 1.510 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.045 2.668 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.840 1.113 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.861 -0.280 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.216 1.366 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.161 0.011 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.644 -1.316 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.799 -1.092 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.395 -0.420 -0.330 1.00 0.00 H new ATOM 569 N THR A 39 -11.277 2.211 -2.624 1.00 0.00 N ATOM 570 CA THR A 39 -12.403 3.128 -2.653 1.00 0.00 C ATOM 571 C THR A 39 -12.820 3.506 -1.230 1.00 0.00 C ATOM 572 O THR A 39 -13.342 2.673 -0.491 1.00 0.00 O ATOM 573 CB THR A 39 -13.525 2.474 -3.462 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.299 2.921 -4.795 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.904 3.034 -3.109 1.00 0.00 C ATOM 0 H THR A 39 -11.512 1.240 -2.832 1.00 0.00 H new ATOM 0 HA THR A 39 -12.137 4.066 -3.140 1.00 0.00 H new ATOM 0 HB THR A 39 -13.516 1.398 -3.290 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.982 2.542 -5.387 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.664 2.536 -3.711 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.107 2.861 -2.052 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.925 4.105 -3.312 1.00 0.00 H new ATOM 583 N GLY A 40 -12.575 4.763 -0.890 1.00 0.00 N ATOM 584 CA GLY A 40 -12.918 5.261 0.431 1.00 0.00 C ATOM 585 C GLY A 40 -11.687 5.827 1.141 1.00 0.00 C ATOM 586 O GLY A 40 -11.809 6.681 2.018 1.00 0.00 O ATOM 0 H GLY A 40 -12.143 5.451 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.680 6.035 0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.347 4.456 1.027 1.00 0.00 H new ATOM 590 N VAL A 41 -10.528 5.329 0.735 1.00 0.00 N ATOM 591 CA VAL A 41 -9.275 5.774 1.321 1.00 0.00 C ATOM 592 C VAL A 41 -9.154 7.291 1.163 1.00 0.00 C ATOM 593 O VAL A 41 -8.443 7.943 1.927 1.00 0.00 O ATOM 594 CB VAL A 41 -8.105 5.013 0.695 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.889 5.437 -0.759 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.828 5.199 1.517 1.00 0.00 C ATOM 0 H VAL A 41 -10.430 4.621 0.007 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.254 5.555 2.389 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.355 3.952 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.051 4.881 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.790 5.229 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.672 6.504 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.011 4.648 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.573 6.258 1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.988 4.824 2.528 1.00 0.00 H new ATOM 606 N HIS A 42 -9.859 7.809 0.168 1.00 0.00 N ATOM 607 CA HIS A 42 -9.839 9.237 -0.099 1.00 0.00 C ATOM 608 C HIS A 42 -10.920 9.930 0.733 1.00 0.00 C ATOM 609 O HIS A 42 -11.113 11.139 0.623 1.00 0.00 O ATOM 610 CB HIS A 42 -9.978 9.511 -1.598 1.00 0.00 C ATOM 611 CG HIS A 42 -11.390 9.382 -2.118 1.00 0.00 C ATOM 612 ND1 HIS A 42 -11.988 8.159 -2.368 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.315 10.334 -2.430 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.217 8.378 -2.812 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.418 9.727 -2.850 1.00 0.00 N ATOM 0 H HIS A 42 -10.448 7.265 -0.463 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.877 9.653 0.200 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.615 10.517 -1.808 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.336 8.820 -2.144 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.174 11.402 -2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.934 7.621 -3.094 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.274 10.192 -3.151 1.00 0.00 H new ATOM 623 N GLN A 43 -11.597 9.133 1.547 1.00 0.00 N ATOM 624 CA GLN A 43 -12.653 9.654 2.397 1.00 0.00 C ATOM 625 C GLN A 43 -12.252 9.544 3.870 1.00 0.00 C ATOM 626 O GLN A 43 -12.730 10.310 4.705 1.00 0.00 O ATOM 627 CB GLN A 43 -13.976 8.932 2.134 1.00 0.00 C ATOM 628 CG GLN A 43 -14.511 9.259 0.738 1.00 0.00 C ATOM 629 CD GLN A 43 -16.040 9.291 0.731 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.664 10.339 0.697 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.607 8.089 0.764 1.00 0.00 N ATOM 0 H GLN A 43 -11.434 8.130 1.635 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.798 10.707 2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.832 7.856 2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.709 9.224 2.886 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.122 10.224 0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.156 8.515 0.025 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.026 7.251 0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.623 8.004 0.762 1.00 0.00 H new ATOM 640 N VAL A 44 -11.379 8.586 4.142 1.00 0.00 N ATOM 641 CA VAL A 44 -10.909 8.366 5.499 1.00 0.00 C ATOM 642 C VAL A 44 -9.853 9.418 5.845 1.00 0.00 C ATOM 643 O VAL A 44 -9.188 9.950 4.958 1.00 0.00 O ATOM 644 CB VAL A 44 -10.396 6.932 5.649 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.492 5.919 5.313 1.00 0.00 C ATOM 646 CG2 VAL A 44 -9.153 6.701 4.787 1.00 0.00 C ATOM 0 H VAL A 44 -10.985 7.953 3.446 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.727 8.480 6.210 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.113 6.785 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.101 4.908 5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.337 6.060 5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.821 6.066 4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.809 5.674 4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.399 6.876 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.364 7.388 5.094 1.00 0.00 H new ATOM 656 N PRO A 45 -9.728 9.692 7.171 1.00 0.00 N ATOM 657 CA PRO A 45 -8.765 10.671 7.645 1.00 0.00 C ATOM 658 C PRO A 45 -7.342 10.110 7.593 1.00 0.00 C ATOM 659 O PRO A 45 -7.150 8.913 7.382 1.00 0.00 O ATOM 660 CB PRO A 45 -9.215 11.016 9.056 1.00 0.00 C ATOM 661 CG PRO A 45 -10.133 9.884 9.488 1.00 0.00 C ATOM 662 CD PRO A 45 -10.499 9.081 8.250 1.00 0.00 C ATOM 0 HA PRO A 45 -8.733 11.565 7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.361 11.105 9.728 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.738 11.972 9.077 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.636 9.249 10.222 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.030 10.281 9.964 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.245 8.028 8.371 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.569 9.129 8.049 1.00 0.00 H new ATOM 670 N THR A 46 -6.381 11.001 7.787 1.00 0.00 N ATOM 671 CA THR A 46 -4.982 10.610 7.764 1.00 0.00 C ATOM 672 C THR A 46 -4.620 9.848 9.041 1.00 0.00 C ATOM 673 O THR A 46 -3.496 9.370 9.185 1.00 0.00 O ATOM 674 CB THR A 46 -4.142 11.871 7.551 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.796 11.412 7.648 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.280 12.868 8.703 1.00 0.00 C ATOM 0 H THR A 46 -6.544 11.993 7.961 1.00 0.00 H new ATOM 0 HA THR A 46 -4.777 9.923 6.943 1.00 0.00 H new ATOM 0 HB THR A 46 -4.438 12.351 6.618 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.782 10.526 8.067 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.664 13.744 8.502 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.322 13.172 8.798 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.952 12.399 9.631 1.00 0.00 H new ATOM 684 N GLU A 47 -5.595 9.758 9.934 1.00 0.00 N ATOM 685 CA GLU A 47 -5.393 9.062 11.193 1.00 0.00 C ATOM 686 C GLU A 47 -5.659 7.565 11.021 1.00 0.00 C ATOM 687 O GLU A 47 -5.313 6.766 11.890 1.00 0.00 O ATOM 688 CB GLU A 47 -6.277 9.652 12.294 1.00 0.00 C ATOM 689 CG GLU A 47 -7.747 9.293 12.068 1.00 0.00 C ATOM 690 CD GLU A 47 -8.519 9.286 13.390 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.913 8.863 14.398 1.00 0.00 O ATOM 692 OE2 GLU A 47 -9.697 9.702 13.361 1.00 0.00 O ATOM 0 H GLU A 47 -6.526 10.155 9.810 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.354 9.195 11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.953 9.278 13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.163 10.736 12.315 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.199 10.010 11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.817 8.313 11.596 1.00 0.00 H new ATOM 699 N ASN A 48 -6.270 7.231 9.894 1.00 0.00 N ATOM 700 CA ASN A 48 -6.586 5.844 9.597 1.00 0.00 C ATOM 701 C ASN A 48 -5.607 5.317 8.546 1.00 0.00 C ATOM 702 O ASN A 48 -5.713 4.170 8.114 1.00 0.00 O ATOM 703 CB ASN A 48 -8.002 5.711 9.033 1.00 0.00 C ATOM 704 CG ASN A 48 -9.024 5.521 10.156 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.703 5.115 11.260 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.270 5.837 9.813 1.00 0.00 N ATOM 0 H ASN A 48 -6.555 7.897 9.176 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.512 5.275 10.524 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.252 6.601 8.455 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.047 4.864 8.349 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.025 5.745 10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.470 6.171 8.870 1.00 0.00 H new ATOM 713 N VAL A 49 -4.676 6.179 8.165 1.00 0.00 N ATOM 714 CA VAL A 49 -3.679 5.814 7.174 1.00 0.00 C ATOM 715 C VAL A 49 -2.284 5.931 7.792 1.00 0.00 C ATOM 716 O VAL A 49 -1.748 7.030 7.920 1.00 0.00 O ATOM 717 CB VAL A 49 -3.850 6.673 5.919 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.910 6.208 4.804 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.305 6.669 5.447 1.00 0.00 C ATOM 0 H VAL A 49 -4.591 7.130 8.525 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.811 4.777 6.864 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.584 7.698 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.052 6.835 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.877 6.286 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.131 5.171 4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.399 7.287 4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.610 5.648 5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.944 7.069 6.234 1.00 0.00 H new ATOM 729 N GLN A 50 -1.737 4.781 8.159 1.00 0.00 N ATOM 730 CA GLN A 50 -0.415 4.741 8.761 1.00 0.00 C ATOM 731 C GLN A 50 0.559 3.985 7.854 1.00 0.00 C ATOM 732 O GLN A 50 0.403 2.785 7.633 1.00 0.00 O ATOM 733 CB GLN A 50 -0.466 4.111 10.154 1.00 0.00 C ATOM 734 CG GLN A 50 -0.660 5.180 11.232 1.00 0.00 C ATOM 735 CD GLN A 50 0.407 5.060 12.322 1.00 0.00 C ATOM 736 OE1 GLN A 50 1.439 4.433 12.150 1.00 0.00 O ATOM 737 NE2 GLN A 50 0.102 5.695 13.450 1.00 0.00 N ATOM 0 H GLN A 50 -2.185 3.871 8.051 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.057 5.765 8.873 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.282 3.389 10.201 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.457 3.562 10.343 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.613 6.171 10.780 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.651 5.079 11.675 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.780 6.202 13.528 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.750 5.675 14.238 1.00 0.00 H new ATOM 746 N VAL A 51 1.541 4.720 7.352 1.00 0.00 N ATOM 747 CA VAL A 51 2.539 4.134 6.473 1.00 0.00 C ATOM 748 C VAL A 51 3.930 4.603 6.906 1.00 0.00 C ATOM 749 O VAL A 51 4.115 5.765 7.262 1.00 0.00 O ATOM 750 CB VAL A 51 2.219 4.476 5.017 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.524 5.835 4.912 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.483 4.439 4.155 1.00 0.00 C ATOM 0 H VAL A 51 1.667 5.715 7.537 1.00 0.00 H new ATOM 0 HA VAL A 51 2.524 3.047 6.548 1.00 0.00 H new ATOM 0 HB VAL A 51 1.532 3.719 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.308 6.053 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.593 5.812 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.176 6.609 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.228 4.686 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.203 5.164 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.919 3.441 4.192 1.00 0.00 H new ATOM 762 N HIS A 52 4.873 3.673 6.860 1.00 0.00 N ATOM 763 CA HIS A 52 6.242 3.976 7.242 1.00 0.00 C ATOM 764 C HIS A 52 7.199 3.494 6.151 1.00 0.00 C ATOM 765 O HIS A 52 7.075 2.371 5.664 1.00 0.00 O ATOM 766 CB HIS A 52 6.565 3.387 8.617 1.00 0.00 C ATOM 767 CG HIS A 52 7.951 3.719 9.117 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.726 2.819 9.827 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.691 4.858 9.001 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.879 3.402 10.121 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.856 4.666 9.608 1.00 0.00 N ATOM 0 H HIS A 52 4.716 2.710 6.564 1.00 0.00 H new ATOM 0 HA HIS A 52 6.367 5.055 7.334 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.833 3.751 9.338 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.456 2.303 8.571 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.382 5.763 8.500 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.694 2.955 10.670 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.609 5.350 9.679 1.00 0.00 H new ATOM 779 N PHE A 53 8.132 4.366 5.798 1.00 0.00 N ATOM 780 CA PHE A 53 9.109 4.043 4.773 1.00 0.00 C ATOM 781 C PHE A 53 10.451 3.656 5.397 1.00 0.00 C ATOM 782 O PHE A 53 10.831 4.188 6.439 1.00 0.00 O ATOM 783 CB PHE A 53 9.299 5.301 3.923 1.00 0.00 C ATOM 784 CG PHE A 53 7.993 6.012 3.564 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.088 5.403 2.752 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.737 7.254 4.057 1.00 0.00 C ATOM 787 CE1 PHE A 53 5.876 6.063 2.418 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.525 7.914 3.723 1.00 0.00 C ATOM 789 CZ PHE A 53 5.620 7.305 2.911 1.00 0.00 C ATOM 0 H PHE A 53 8.232 5.296 6.204 1.00 0.00 H new ATOM 0 HA PHE A 53 8.759 3.199 4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.943 5.996 4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.818 5.031 3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.291 4.417 2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.455 7.738 4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.158 5.579 1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.322 8.900 4.114 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.698 7.807 2.657 1.00 0.00 H new ATOM 799 N THR A 54 11.132 2.733 4.734 1.00 0.00 N ATOM 800 CA THR A 54 12.424 2.269 5.211 1.00 0.00 C ATOM 801 C THR A 54 13.467 2.355 4.095 1.00 0.00 C ATOM 802 O THR A 54 13.236 3.000 3.073 1.00 0.00 O ATOM 803 CB THR A 54 12.243 0.855 5.766 1.00 0.00 C ATOM 804 OG1 THR A 54 11.446 0.196 4.785 1.00 0.00 O ATOM 805 CG2 THR A 54 11.378 0.827 7.028 1.00 0.00 C ATOM 0 H THR A 54 10.813 2.294 3.870 1.00 0.00 H new ATOM 0 HA THR A 54 12.800 2.903 6.014 1.00 0.00 H new ATOM 0 HB THR A 54 13.220 0.424 5.986 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.525 0.667 3.929 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.282 -0.200 7.380 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.846 1.434 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.390 1.227 6.801 1.00 0.00 H new ATOM 813 N GLU A 55 14.592 1.695 4.328 1.00 0.00 N ATOM 814 CA GLU A 55 15.671 1.688 3.355 1.00 0.00 C ATOM 815 C GLU A 55 15.321 0.772 2.180 1.00 0.00 C ATOM 816 O GLU A 55 15.572 1.114 1.026 1.00 0.00 O ATOM 817 CB GLU A 55 16.991 1.268 4.003 1.00 0.00 C ATOM 818 CG GLU A 55 17.267 -0.219 3.773 1.00 0.00 C ATOM 819 CD GLU A 55 18.485 -0.682 4.575 1.00 0.00 C ATOM 820 OE1 GLU A 55 19.597 -0.228 4.230 1.00 0.00 O ATOM 821 OE2 GLU A 55 18.275 -1.478 5.516 1.00 0.00 O ATOM 0 H GLU A 55 14.780 1.161 5.177 1.00 0.00 H new ATOM 0 HA GLU A 55 15.797 2.702 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.807 1.861 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.957 1.474 5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.393 -0.803 4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.436 -0.401 2.712 1.00 0.00 H new ATOM 828 N ARG A 56 14.747 -0.374 2.516 1.00 0.00 N ATOM 829 CA ARG A 56 14.361 -1.342 1.504 1.00 0.00 C ATOM 830 C ARG A 56 13.026 -1.993 1.874 1.00 0.00 C ATOM 831 O ARG A 56 12.928 -3.217 1.948 1.00 0.00 O ATOM 832 CB ARG A 56 15.425 -2.430 1.347 1.00 0.00 C ATOM 833 CG ARG A 56 16.706 -1.860 0.735 1.00 0.00 C ATOM 834 CD ARG A 56 16.786 -2.174 -0.761 1.00 0.00 C ATOM 835 NE ARG A 56 17.195 -3.582 -0.961 1.00 0.00 N ATOM 836 CZ ARG A 56 18.446 -4.032 -0.796 1.00 0.00 C ATOM 837 NH1 ARG A 56 19.418 -3.187 -0.426 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.725 -5.327 -1.000 1.00 0.00 N ATOM 0 H ARG A 56 14.540 -0.654 3.475 1.00 0.00 H new ATOM 0 HA ARG A 56 14.260 -0.810 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.647 -2.870 2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.041 -3.231 0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.736 -0.781 0.886 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.574 -2.278 1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.818 -1.998 -1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.501 -1.507 -1.243 1.00 0.00 H new ATOM 0 HE ARG A 56 16.479 -4.252 -1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.205 -2.202 -0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.371 -3.529 -0.300 1.00 0.00 H new ATOM 0 HH21 ARG A 56 17.985 -5.970 -1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.678 -5.669 -0.874 1.00 0.00 H new ATOM 852 N SER A 57 12.032 -1.145 2.096 1.00 0.00 N ATOM 853 CA SER A 57 10.708 -1.622 2.457 1.00 0.00 C ATOM 854 C SER A 57 9.795 -0.438 2.780 1.00 0.00 C ATOM 855 O SER A 57 10.246 0.706 2.815 1.00 0.00 O ATOM 856 CB SER A 57 10.774 -2.582 3.646 1.00 0.00 C ATOM 857 OG SER A 57 10.384 -1.951 4.863 1.00 0.00 O ATOM 0 H SER A 57 12.117 -0.131 2.033 1.00 0.00 H new ATOM 0 HA SER A 57 10.297 -2.167 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.126 -3.438 3.457 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.789 -2.966 3.746 1.00 0.00 H new ATOM 0 HG SER A 57 10.926 -1.147 5.003 1.00 0.00 H new ATOM 863 N PHE A 58 8.529 -0.753 3.007 1.00 0.00 N ATOM 864 CA PHE A 58 7.548 0.271 3.326 1.00 0.00 C ATOM 865 C PHE A 58 6.220 -0.356 3.753 1.00 0.00 C ATOM 866 O PHE A 58 5.668 -1.195 3.042 1.00 0.00 O ATOM 867 CB PHE A 58 7.327 1.090 2.053 1.00 0.00 C ATOM 868 CG PHE A 58 6.095 0.670 1.249 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.850 0.860 1.763 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.244 0.105 0.021 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.707 0.470 1.017 1.00 0.00 C ATOM 872 CE2 PHE A 58 5.101 -0.285 -0.725 1.00 0.00 C ATOM 873 CZ PHE A 58 3.856 -0.095 -0.211 1.00 0.00 C ATOM 0 H PHE A 58 8.159 -1.703 2.976 1.00 0.00 H new ATOM 0 HA PHE A 58 7.908 0.888 4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.231 2.142 2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.209 1.002 1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.731 1.308 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.232 -0.047 -0.387 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.719 0.622 1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.220 -0.733 -1.701 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.986 -0.393 -0.778 1.00 0.00 H new ATOM 883 N ASP A 59 5.743 0.075 4.912 1.00 0.00 N ATOM 884 CA ASP A 59 4.489 -0.433 5.441 1.00 0.00 C ATOM 885 C ASP A 59 3.390 0.608 5.225 1.00 0.00 C ATOM 886 O ASP A 59 3.653 1.809 5.257 1.00 0.00 O ATOM 887 CB ASP A 59 4.596 -0.704 6.943 1.00 0.00 C ATOM 888 CG ASP A 59 5.400 0.331 7.732 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.583 0.521 7.376 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.814 0.909 8.673 1.00 0.00 O ATOM 0 H ASP A 59 6.203 0.771 5.499 1.00 0.00 H new ATOM 0 HA ASP A 59 4.255 -1.363 4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.590 -0.755 7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.052 -1.683 7.088 1.00 0.00 H new ATOM 895 N LEU A 60 2.181 0.110 5.011 1.00 0.00 N ATOM 896 CA LEU A 60 1.040 0.982 4.790 1.00 0.00 C ATOM 897 C LEU A 60 -0.215 0.333 5.377 1.00 0.00 C ATOM 898 O LEU A 60 -0.640 -0.728 4.922 1.00 0.00 O ATOM 899 CB LEU A 60 0.914 1.333 3.306 1.00 0.00 C ATOM 900 CG LEU A 60 -0.082 2.443 2.962 1.00 0.00 C ATOM 901 CD1 LEU A 60 -0.809 2.139 1.650 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.057 2.682 4.116 1.00 0.00 C ATOM 0 H LEU A 60 1.967 -0.887 4.986 1.00 0.00 H new ATOM 0 HA LEU A 60 1.180 1.931 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.897 1.627 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.626 0.433 2.763 1.00 0.00 H new ATOM 0 HG LEU A 60 0.475 3.369 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.511 2.943 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.082 2.058 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.352 1.199 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.754 3.475 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.612 1.766 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.502 2.975 5.007 1.00 0.00 H new ATOM 914 N LEU A 61 -0.772 0.997 6.379 1.00 0.00 N ATOM 915 CA LEU A 61 -1.969 0.497 7.034 1.00 0.00 C ATOM 916 C LEU A 61 -3.154 1.396 6.674 1.00 0.00 C ATOM 917 O LEU A 61 -2.980 2.586 6.418 1.00 0.00 O ATOM 918 CB LEU A 61 -1.738 0.357 8.539 1.00 0.00 C ATOM 919 CG LEU A 61 -2.996 0.230 9.402 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.808 1.526 9.381 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.832 -0.978 8.976 1.00 0.00 C ATOM 0 H LEU A 61 -0.417 1.877 6.753 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.208 -0.505 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.114 -0.520 8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.172 1.223 8.882 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.688 0.061 10.434 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.696 1.409 10.002 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.199 2.343 9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.108 1.751 8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.720 -1.046 9.605 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.133 -0.863 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.240 -1.887 9.085 1.00 0.00 H new ATOM 933 N VAL A 62 -4.333 0.791 6.666 1.00 0.00 N ATOM 934 CA VAL A 62 -5.546 1.522 6.342 1.00 0.00 C ATOM 935 C VAL A 62 -6.703 0.982 7.185 1.00 0.00 C ATOM 936 O VAL A 62 -7.133 -0.155 6.999 1.00 0.00 O ATOM 937 CB VAL A 62 -5.817 1.447 4.838 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.156 2.100 4.488 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.673 2.080 4.043 1.00 0.00 C ATOM 0 H VAL A 62 -4.474 -0.197 6.879 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.431 2.578 6.586 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.876 0.395 4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.324 2.033 3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.960 1.585 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.139 3.148 4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.890 2.014 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.568 3.127 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.744 1.551 4.258 1.00 0.00 H new ATOM 949 N LYS A 63 -7.173 1.822 8.096 1.00 0.00 N ATOM 950 CA LYS A 63 -8.271 1.442 8.968 1.00 0.00 C ATOM 951 C LYS A 63 -9.532 2.204 8.555 1.00 0.00 C ATOM 952 O LYS A 63 -9.447 3.249 7.911 1.00 0.00 O ATOM 953 CB LYS A 63 -7.884 1.643 10.435 1.00 0.00 C ATOM 954 CG LYS A 63 -7.649 0.300 11.129 1.00 0.00 C ATOM 955 CD LYS A 63 -6.348 0.318 11.933 1.00 0.00 C ATOM 956 CE LYS A 63 -5.724 -1.077 12.000 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.925 -1.671 13.341 1.00 0.00 N ATOM 0 H LYS A 63 -6.813 2.764 8.249 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.491 0.380 8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.981 2.251 10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.673 2.190 10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.486 0.077 11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.610 -0.496 10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.644 1.013 11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.545 0.681 12.942 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.171 -1.719 11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.658 -1.016 11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.495 -2.618 13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.478 -1.066 14.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.943 -1.747 13.538 1.00 0.00 H new ATOM 971 N ASN A 64 -10.672 1.653 8.943 1.00 0.00 N ATOM 972 CA ASN A 64 -11.949 2.267 8.621 1.00 0.00 C ATOM 973 C ASN A 64 -11.943 2.706 7.155 1.00 0.00 C ATOM 974 O ASN A 64 -11.475 3.796 6.832 1.00 0.00 O ATOM 975 CB ASN A 64 -12.197 3.506 9.484 1.00 0.00 C ATOM 976 CG ASN A 64 -13.685 3.662 9.803 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.502 3.960 8.947 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.991 3.446 11.080 1.00 0.00 N ATOM 0 H ASN A 64 -10.738 0.787 9.478 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.733 1.534 8.809 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.629 3.428 10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.838 4.394 8.964 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.958 3.527 11.393 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.258 3.200 11.745 1.00 0.00 H new ATOM 985 N LEU A 65 -12.469 1.834 6.308 1.00 0.00 N ATOM 986 CA LEU A 65 -12.531 2.118 4.884 1.00 0.00 C ATOM 987 C LEU A 65 -13.945 1.834 4.373 1.00 0.00 C ATOM 988 O LEU A 65 -14.924 2.300 4.953 1.00 0.00 O ATOM 989 CB LEU A 65 -11.441 1.348 4.137 1.00 0.00 C ATOM 990 CG LEU A 65 -11.103 1.856 2.733 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.863 3.146 2.419 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.593 2.023 2.559 1.00 0.00 C ATOM 0 H LEU A 65 -12.856 0.930 6.580 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.330 3.173 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.532 1.369 4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.748 0.305 4.060 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.429 1.107 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.605 3.485 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.935 2.959 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.591 3.914 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.380 2.385 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.220 2.741 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.101 1.062 2.710 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.006 1.070 3.292 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.284 0.719 2.696 1.00 0.00 C ATOM 1006 C ASN A 66 -15.975 -0.335 3.564 1.00 0.00 C ATOM 1007 O ASN A 66 -16.073 -1.497 3.176 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.095 0.128 1.297 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.245 0.531 0.372 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -17.255 -0.145 0.263 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -16.037 1.668 -0.286 1.00 0.00 N ATOM 0 H ASN A 66 -13.192 0.685 2.814 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.884 1.626 2.627 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.149 0.471 0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.039 -0.959 1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.746 2.023 -0.928 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.169 2.185 -0.149 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.435 0.111 4.724 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.114 -0.779 5.651 1.00 0.00 C ATOM 1020 C GLY A 67 -16.156 -1.844 6.190 1.00 0.00 C ATOM 1021 O GLY A 67 -16.591 -2.858 6.733 1.00 0.00 O ATOM 0 H GLY A 67 -16.351 1.076 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.525 -0.202 6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -17.954 -1.260 5.150 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.869 -1.576 6.021 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.846 -2.498 6.484 1.00 0.00 C ATOM 1027 C LYS A 68 -12.491 -1.789 6.488 1.00 0.00 C ATOM 1028 O LYS A 68 -12.401 -0.613 6.140 1.00 0.00 O ATOM 1029 CB LYS A 68 -13.866 -3.782 5.651 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.426 -3.519 4.252 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.712 -4.378 3.206 1.00 0.00 C ATOM 1032 CE LYS A 68 -13.972 -5.866 3.448 1.00 0.00 C ATOM 1033 NZ LYS A 68 -14.784 -6.436 2.349 1.00 0.00 N ATOM 0 H LYS A 68 -14.512 -0.734 5.570 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.047 -2.807 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.856 -4.185 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.472 -4.536 6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.494 -3.735 4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.310 -2.464 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.055 -4.103 2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.640 -4.182 3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.024 -6.399 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.489 -6.001 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.951 -7.447 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.696 -5.938 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.276 -6.324 1.448 1.00 0.00 H new ATOM 1047 N SER A 69 -11.470 -2.534 6.886 1.00 0.00 N ATOM 1048 CA SER A 69 -10.123 -1.992 6.940 1.00 0.00 C ATOM 1049 C SER A 69 -9.189 -2.821 6.056 1.00 0.00 C ATOM 1050 O SER A 69 -9.390 -4.023 5.890 1.00 0.00 O ATOM 1051 CB SER A 69 -9.601 -1.956 8.378 1.00 0.00 C ATOM 1052 OG SER A 69 -9.624 -3.245 8.986 1.00 0.00 O ATOM 0 H SER A 69 -11.549 -3.509 7.174 1.00 0.00 H new ATOM 0 HA SER A 69 -10.151 -0.968 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.582 -1.570 8.384 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.206 -1.267 8.966 1.00 0.00 H new ATOM 0 HG SER A 69 -9.436 -3.158 9.944 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.187 -2.145 5.512 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.221 -2.804 4.650 1.00 0.00 C ATOM 1060 C TYR A 70 -5.791 -2.538 5.125 1.00 0.00 C ATOM 1061 O TYR A 70 -5.510 -1.490 5.702 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.408 -2.190 3.261 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.781 -2.456 2.642 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -9.902 -1.841 3.159 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.898 -3.312 1.566 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.195 -2.091 2.577 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.191 -3.563 0.983 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.275 -2.940 1.517 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.496 -3.177 0.967 1.00 0.00 O ATOM 0 H TYR A 70 -8.024 -1.148 5.652 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.376 -3.883 4.654 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.254 -1.113 3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.639 -2.582 2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.810 -1.171 4.001 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.020 -3.794 1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.080 -1.616 2.973 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.297 -4.231 0.141 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.402 -3.802 0.218 1.00 0.00 H new ATOM 1079 N SER A 71 -4.925 -3.507 4.863 1.00 0.00 N ATOM 1080 CA SER A 71 -3.531 -3.390 5.256 1.00 0.00 C ATOM 1081 C SER A 71 -2.624 -3.786 4.090 1.00 0.00 C ATOM 1082 O SER A 71 -2.939 -4.708 3.339 1.00 0.00 O ATOM 1083 CB SER A 71 -3.230 -4.257 6.481 1.00 0.00 C ATOM 1084 OG SER A 71 -3.590 -5.620 6.272 1.00 0.00 O ATOM 0 H SER A 71 -5.162 -4.376 4.384 1.00 0.00 H new ATOM 0 HA SER A 71 -3.336 -2.351 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.168 -4.195 6.717 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.771 -3.867 7.343 1.00 0.00 H new ATOM 0 HG SER A 71 -4.543 -5.677 6.053 1.00 0.00 H new ATOM 1090 N MET A 72 -1.515 -3.070 3.974 1.00 0.00 N ATOM 1091 CA MET A 72 -0.560 -3.335 2.912 1.00 0.00 C ATOM 1092 C MET A 72 0.870 -3.059 3.380 1.00 0.00 C ATOM 1093 O MET A 72 1.191 -1.941 3.782 1.00 0.00 O ATOM 1094 CB MET A 72 -0.882 -2.453 1.704 1.00 0.00 C ATOM 1095 CG MET A 72 0.290 -2.422 0.720 1.00 0.00 C ATOM 1096 SD MET A 72 -0.284 -1.926 -0.896 1.00 0.00 S ATOM 1097 CE MET A 72 0.260 -3.326 -1.860 1.00 0.00 C ATOM 0 H MET A 72 -1.257 -2.306 4.599 1.00 0.00 H new ATOM 0 HA MET A 72 -0.635 -4.387 2.635 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.773 -2.829 1.202 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.108 -1.440 2.038 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.054 -1.729 1.073 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.755 -3.406 0.664 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.583 -2.987 -2.844 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.092 -3.815 -1.354 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.562 -4.033 -1.971 1.00 0.00 H new ATOM 1107 N ILE A 73 1.692 -4.096 3.311 1.00 0.00 N ATOM 1108 CA ILE A 73 3.080 -3.979 3.723 1.00 0.00 C ATOM 1109 C ILE A 73 3.976 -4.643 2.675 1.00 0.00 C ATOM 1110 O ILE A 73 3.584 -5.631 2.054 1.00 0.00 O ATOM 1111 CB ILE A 73 3.269 -4.536 5.135 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.887 -3.496 6.190 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.695 -5.057 5.333 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.840 -4.123 7.586 1.00 0.00 C ATOM 0 H ILE A 73 1.423 -5.021 2.976 1.00 0.00 H new ATOM 0 HA ILE A 73 3.374 -2.931 3.777 1.00 0.00 H new ATOM 0 HB ILE A 73 2.596 -5.384 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.608 -2.679 6.178 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.915 -3.066 5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.803 -5.447 6.345 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.895 -5.852 4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.404 -4.243 5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.566 -3.363 8.317 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.100 -4.924 7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.820 -4.530 7.835 1.00 0.00 H new ATOM 1126 N VAL A 74 5.161 -4.075 2.510 1.00 0.00 N ATOM 1127 CA VAL A 74 6.115 -4.599 1.547 1.00 0.00 C ATOM 1128 C VAL A 74 7.476 -4.767 2.225 1.00 0.00 C ATOM 1129 O VAL A 74 7.985 -3.833 2.843 1.00 0.00 O ATOM 1130 CB VAL A 74 6.168 -3.693 0.316 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.846 -2.946 0.128 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.343 -2.717 0.403 1.00 0.00 C ATOM 0 H VAL A 74 5.483 -3.257 3.027 1.00 0.00 H new ATOM 0 HA VAL A 74 5.803 -5.582 1.196 1.00 0.00 H new ATOM 0 HB VAL A 74 6.323 -4.325 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.910 -2.309 -0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.037 -3.665 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.647 -2.331 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.357 -2.085 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.233 -2.094 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.277 -3.276 0.465 1.00 0.00 H new ATOM 1142 N ASN A 75 8.027 -5.964 2.086 1.00 0.00 N ATOM 1143 CA ASN A 75 9.320 -6.266 2.677 1.00 0.00 C ATOM 1144 C ASN A 75 10.244 -6.845 1.604 1.00 0.00 C ATOM 1145 O ASN A 75 9.874 -7.786 0.904 1.00 0.00 O ATOM 1146 CB ASN A 75 9.186 -7.302 3.795 1.00 0.00 C ATOM 1147 CG ASN A 75 8.124 -6.878 4.811 1.00 0.00 C ATOM 1148 OD1 ASN A 75 8.005 -5.721 5.178 1.00 0.00 O ATOM 1149 ND2 ASN A 75 7.361 -7.878 5.245 1.00 0.00 N ATOM 0 H ASN A 75 7.602 -6.736 1.573 1.00 0.00 H new ATOM 0 HA ASN A 75 9.727 -5.342 3.088 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.921 -8.270 3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.145 -7.427 4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.623 -7.698 5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.514 -8.824 4.897 1.00 0.00 H new ATOM 1156 N ASN A 76 11.428 -6.259 1.509 1.00 0.00 N ATOM 1157 CA ASN A 76 12.408 -6.705 0.534 1.00 0.00 C ATOM 1158 C ASN A 76 12.136 -6.018 -0.806 1.00 0.00 C ATOM 1159 O ASN A 76 11.471 -6.582 -1.674 1.00 0.00 O ATOM 1160 CB ASN A 76 12.320 -8.217 0.316 1.00 0.00 C ATOM 1161 CG ASN A 76 12.080 -8.948 1.638 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.643 -8.620 2.670 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.214 -9.954 1.551 1.00 0.00 N ATOM 0 H ASN A 76 11.731 -5.479 2.092 1.00 0.00 H new ATOM 0 HA ASN A 76 13.399 -6.452 0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.511 -8.441 -0.380 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.242 -8.577 -0.140 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.986 -10.504 2.379 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.778 -10.176 0.656 1.00 0.00 H new ATOM 1170 N LEU A 77 12.664 -4.809 -0.933 1.00 0.00 N ATOM 1171 CA LEU A 77 12.487 -4.039 -2.153 1.00 0.00 C ATOM 1172 C LEU A 77 13.697 -4.250 -3.064 1.00 0.00 C ATOM 1173 O LEU A 77 14.839 -4.145 -2.620 1.00 0.00 O ATOM 1174 CB LEU A 77 12.213 -2.571 -1.824 1.00 0.00 C ATOM 1175 CG LEU A 77 10.944 -2.290 -1.016 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.917 -0.841 -0.524 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.692 -2.645 -1.820 1.00 0.00 C ATOM 0 H LEU A 77 13.214 -4.344 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 77 11.611 -4.388 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.066 -2.178 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.155 -2.014 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 77 10.952 -2.930 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.005 -0.668 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.784 -0.656 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.943 -0.166 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.805 -2.436 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.664 -2.049 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.714 -3.704 -2.079 1.00 0.00 H new ATOM 1189 N LEU A 78 13.406 -4.543 -4.323 1.00 0.00 N ATOM 1190 CA LEU A 78 14.457 -4.769 -5.301 1.00 0.00 C ATOM 1191 C LEU A 78 15.592 -3.771 -5.064 1.00 0.00 C ATOM 1192 O LEU A 78 16.762 -4.149 -5.047 1.00 0.00 O ATOM 1193 CB LEU A 78 13.886 -4.726 -6.720 1.00 0.00 C ATOM 1194 CG LEU A 78 14.711 -5.435 -7.796 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.745 -6.945 -7.554 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.198 -5.090 -9.196 1.00 0.00 C ATOM 0 H LEU A 78 12.458 -4.629 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 78 14.880 -5.767 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.890 -5.169 -6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.766 -3.682 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 78 15.738 -5.075 -7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.338 -7.425 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.192 -7.148 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.729 -7.340 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.802 -5.607 -9.942 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.158 -5.403 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.268 -4.014 -9.354 1.00 0.00 H new ATOM 1208 N LYS A 79 15.206 -2.516 -4.887 1.00 0.00 N ATOM 1209 CA LYS A 79 16.176 -1.461 -4.651 1.00 0.00 C ATOM 1210 C LYS A 79 15.786 -0.686 -3.391 1.00 0.00 C ATOM 1211 O LYS A 79 14.633 -0.731 -2.963 1.00 0.00 O ATOM 1212 CB LYS A 79 16.323 -0.580 -5.894 1.00 0.00 C ATOM 1213 CG LYS A 79 16.544 -1.431 -7.146 1.00 0.00 C ATOM 1214 CD LYS A 79 18.036 -1.589 -7.445 1.00 0.00 C ATOM 1215 CE LYS A 79 18.263 -2.564 -8.602 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.570 -2.308 -9.247 1.00 0.00 N ATOM 0 H LYS A 79 14.234 -2.206 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 79 17.163 -1.886 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.429 0.031 -6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.161 0.104 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.091 -2.413 -7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.046 -0.968 -7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.466 -0.618 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.553 -1.948 -6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.227 -3.589 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.463 -2.461 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.489 -2.468 -10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.857 -1.324 -9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.284 -2.952 -8.852 1.00 0.00 H new ATOM 1230 N PRO A 80 16.793 0.025 -2.818 1.00 0.00 N ATOM 1231 CA PRO A 80 16.566 0.809 -1.615 1.00 0.00 C ATOM 1232 C PRO A 80 15.796 2.092 -1.934 1.00 0.00 C ATOM 1233 O PRO A 80 15.666 2.470 -3.097 1.00 0.00 O ATOM 1234 CB PRO A 80 17.952 1.073 -1.051 1.00 0.00 C ATOM 1235 CG PRO A 80 18.922 0.831 -2.196 1.00 0.00 C ATOM 1236 CD PRO A 80 18.170 0.102 -3.297 1.00 0.00 C ATOM 0 HA PRO A 80 15.945 0.289 -0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.034 2.094 -0.679 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.165 0.410 -0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.319 1.776 -2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.772 0.239 -1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.231 0.642 -4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.585 -0.891 -3.470 1.00 0.00 H new ATOM 1244 N ILE A 81 15.304 2.726 -0.880 1.00 0.00 N ATOM 1245 CA ILE A 81 14.549 3.958 -1.033 1.00 0.00 C ATOM 1246 C ILE A 81 14.764 4.839 0.200 1.00 0.00 C ATOM 1247 O ILE A 81 14.774 4.345 1.326 1.00 0.00 O ATOM 1248 CB ILE A 81 13.078 3.653 -1.322 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.497 2.708 -0.269 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.900 3.111 -2.741 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.566 3.457 0.686 1.00 0.00 C ATOM 0 H ILE A 81 15.413 2.410 0.084 1.00 0.00 H new ATOM 0 HA ILE A 81 14.909 4.521 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 81 12.517 4.585 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.949 1.903 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.306 2.245 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.845 2.902 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.251 3.851 -3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.476 2.193 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.167 2.762 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.123 4.245 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.745 3.898 0.122 1.00 0.00 H new ATOM 1263 N SER A 82 14.931 6.128 -0.055 1.00 0.00 N ATOM 1264 CA SER A 82 15.145 7.082 1.020 1.00 0.00 C ATOM 1265 C SER A 82 13.867 7.233 1.847 1.00 0.00 C ATOM 1266 O SER A 82 12.780 7.393 1.294 1.00 0.00 O ATOM 1267 CB SER A 82 15.585 8.441 0.471 1.00 0.00 C ATOM 1268 OG SER A 82 16.738 8.940 1.143 1.00 0.00 O ATOM 0 H SER A 82 14.922 6.534 -0.990 1.00 0.00 H new ATOM 0 HA SER A 82 15.942 6.703 1.660 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.797 8.350 -0.594 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.768 9.155 0.574 1.00 0.00 H new ATOM 0 HG SER A 82 16.988 9.808 0.763 1.00 0.00 H new ATOM 1274 N VAL A 83 14.040 7.178 3.160 1.00 0.00 N ATOM 1275 CA VAL A 83 12.914 7.307 4.069 1.00 0.00 C ATOM 1276 C VAL A 83 12.540 8.784 4.205 1.00 0.00 C ATOM 1277 O VAL A 83 11.475 9.202 3.753 1.00 0.00 O ATOM 1278 CB VAL A 83 13.246 6.648 5.410 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.165 6.948 6.450 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.445 5.140 5.245 1.00 0.00 C ATOM 0 H VAL A 83 14.943 7.046 3.616 1.00 0.00 H new ATOM 0 HA VAL A 83 12.042 6.786 3.673 1.00 0.00 H new ATOM 0 HB VAL A 83 14.184 7.072 5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.425 6.468 7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.092 8.025 6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.207 6.564 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.680 4.696 6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.531 4.693 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.266 4.955 4.552 1.00 0.00 H new ATOM 1290 N GLU A 84 13.437 9.533 4.829 1.00 0.00 N ATOM 1291 CA GLU A 84 13.214 10.955 5.030 1.00 0.00 C ATOM 1292 C GLU A 84 12.754 11.610 3.726 1.00 0.00 C ATOM 1293 O GLU A 84 12.084 12.641 3.748 1.00 0.00 O ATOM 1294 CB GLU A 84 14.473 11.636 5.571 1.00 0.00 C ATOM 1295 CG GLU A 84 14.508 11.588 7.100 1.00 0.00 C ATOM 1296 CD GLU A 84 15.525 12.586 7.657 1.00 0.00 C ATOM 1297 OE1 GLU A 84 15.684 13.650 7.019 1.00 0.00 O ATOM 1298 OE2 GLU A 84 16.120 12.264 8.708 1.00 0.00 O ATOM 0 H GLU A 84 14.319 9.182 5.202 1.00 0.00 H new ATOM 0 HA GLU A 84 12.426 11.078 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.358 11.145 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.503 12.673 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.518 11.812 7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.763 10.581 7.430 1.00 0.00 H new ATOM 1305 N GLY A 85 13.132 10.984 2.621 1.00 0.00 N ATOM 1306 CA GLY A 85 12.767 11.493 1.310 1.00 0.00 C ATOM 1307 C GLY A 85 11.464 10.859 0.820 1.00 0.00 C ATOM 1308 O GLY A 85 10.752 11.446 0.006 1.00 0.00 O ATOM 0 H GLY A 85 13.688 10.129 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.654 12.576 1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.567 11.285 0.599 1.00 0.00 H new ATOM 1312 N SER A 86 11.191 9.669 1.335 1.00 0.00 N ATOM 1313 CA SER A 86 9.986 8.950 0.959 1.00 0.00 C ATOM 1314 C SER A 86 8.750 9.719 1.429 1.00 0.00 C ATOM 1315 O SER A 86 8.825 10.508 2.369 1.00 0.00 O ATOM 1316 CB SER A 86 9.985 7.535 1.543 1.00 0.00 C ATOM 1317 OG SER A 86 10.610 6.598 0.671 1.00 0.00 O ATOM 0 H SER A 86 11.784 9.185 2.009 1.00 0.00 H new ATOM 0 HA SER A 86 9.962 8.866 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.502 7.538 2.502 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.959 7.223 1.735 1.00 0.00 H new ATOM 0 HG SER A 86 11.507 6.388 1.005 1.00 0.00 H new ATOM 1323 N SER A 87 7.640 9.461 0.753 1.00 0.00 N ATOM 1324 CA SER A 87 6.389 10.119 1.089 1.00 0.00 C ATOM 1325 C SER A 87 5.207 9.242 0.672 1.00 0.00 C ATOM 1326 O SER A 87 5.383 8.258 -0.045 1.00 0.00 O ATOM 1327 CB SER A 87 6.292 11.492 0.421 1.00 0.00 C ATOM 1328 OG SER A 87 7.469 12.269 0.622 1.00 0.00 O ATOM 0 H SER A 87 7.581 8.805 -0.026 1.00 0.00 H new ATOM 0 HA SER A 87 6.360 10.267 2.169 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.121 11.364 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.431 12.029 0.819 1.00 0.00 H new ATOM 0 HG SER A 87 7.367 13.137 0.179 1.00 0.00 H new ATOM 1334 N LYS A 88 4.029 9.629 1.139 1.00 0.00 N ATOM 1335 CA LYS A 88 2.819 8.890 0.823 1.00 0.00 C ATOM 1336 C LYS A 88 1.731 9.868 0.376 1.00 0.00 C ATOM 1337 O LYS A 88 1.661 10.992 0.870 1.00 0.00 O ATOM 1338 CB LYS A 88 2.406 8.009 2.004 1.00 0.00 C ATOM 1339 CG LYS A 88 0.900 7.739 1.987 1.00 0.00 C ATOM 1340 CD LYS A 88 0.142 8.814 2.767 1.00 0.00 C ATOM 1341 CE LYS A 88 -1.032 8.207 3.539 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.171 9.151 3.578 1.00 0.00 N ATOM 0 H LYS A 88 3.887 10.445 1.734 1.00 0.00 H new ATOM 0 HA LYS A 88 2.996 8.208 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.949 7.065 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.681 8.496 2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.543 7.712 0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.698 6.759 2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.820 9.311 3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.225 9.576 2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.341 7.274 3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.720 7.963 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.247 9.564 4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.017 9.909 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.050 8.644 3.349 1.00 0.00 H new ATOM 1356 N LYS A 89 0.909 9.404 -0.553 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.173 10.224 -1.073 1.00 0.00 C ATOM 1358 C LYS A 89 -1.434 9.370 -1.209 1.00 0.00 C ATOM 1359 O LYS A 89 -1.366 8.143 -1.162 1.00 0.00 O ATOM 1360 CB LYS A 89 0.251 10.908 -2.374 1.00 0.00 C ATOM 1361 CG LYS A 89 0.837 12.295 -2.099 1.00 0.00 C ATOM 1362 CD LYS A 89 0.248 13.337 -3.052 1.00 0.00 C ATOM 1363 CE LYS A 89 0.768 13.134 -4.476 1.00 0.00 C ATOM 1364 NZ LYS A 89 2.097 13.766 -4.638 1.00 0.00 N ATOM 0 H LYS A 89 0.970 8.471 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.408 11.031 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.989 10.293 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.608 10.998 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.632 12.583 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.921 12.265 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.840 13.268 -3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.506 14.338 -2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.836 12.069 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.065 13.563 -5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.488 13.519 -5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.001 14.799 -4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.737 13.424 -3.893 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.558 10.052 -1.376 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.833 9.371 -1.520 1.00 0.00 C ATOM 1380 C VAL A 90 -4.617 10.003 -2.672 1.00 0.00 C ATOM 1381 O VAL A 90 -4.827 11.215 -2.693 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.594 9.400 -0.193 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -6.059 9.007 -0.393 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.922 8.499 0.845 1.00 0.00 C ATOM 0 H VAL A 90 -2.612 11.070 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.679 8.321 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.569 10.422 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.577 9.036 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.532 9.706 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.112 7.999 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.483 8.538 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.901 7.473 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.903 8.843 1.020 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.027 9.154 -3.602 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.783 9.614 -4.755 1.00 0.00 C ATOM 1396 C LYS A 91 -7.214 9.081 -4.666 1.00 0.00 C ATOM 1397 O LYS A 91 -7.524 8.265 -3.800 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.065 9.235 -6.052 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.115 8.057 -5.829 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.488 7.600 -7.148 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.655 8.720 -7.776 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.315 9.234 -8.997 1.00 0.00 N ATOM 0 H LYS A 91 -4.850 8.150 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.847 10.702 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.799 8.976 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.505 10.092 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.330 8.346 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.658 7.229 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.858 6.728 -6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.272 7.293 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.523 9.530 -7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.661 8.348 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.737 9.993 -9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.418 8.463 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.254 9.608 -8.753 1.00 0.00 H new ATOM 1416 N THR A 92 -8.049 9.565 -5.574 1.00 0.00 N ATOM 1417 CA THR A 92 -9.441 9.148 -5.609 1.00 0.00 C ATOM 1418 C THR A 92 -9.541 7.622 -5.585 1.00 0.00 C ATOM 1419 O THR A 92 -9.060 6.950 -6.497 1.00 0.00 O ATOM 1420 CB THR A 92 -10.093 9.780 -6.841 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.955 11.182 -6.625 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.606 9.556 -6.882 1.00 0.00 C ATOM 0 H THR A 92 -7.788 10.242 -6.291 1.00 0.00 H new ATOM 0 HA THR A 92 -9.979 9.492 -4.726 1.00 0.00 H new ATOM 0 HB THR A 92 -9.641 9.368 -7.743 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.350 11.669 -7.378 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.019 10.024 -7.775 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.815 8.486 -6.903 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.063 9.998 -5.997 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.168 7.118 -4.532 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.337 5.684 -4.377 1.00 0.00 C ATOM 1432 C ASP A 93 -9.017 4.981 -4.701 1.00 0.00 C ATOM 1433 O ASP A 93 -9.012 3.913 -5.312 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.405 5.148 -5.333 1.00 0.00 C ATOM 1435 CG ASP A 93 -11.174 5.476 -6.809 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -10.163 4.977 -7.350 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -12.013 6.217 -7.364 1.00 0.00 O ATOM 0 H ASP A 93 -10.565 7.678 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.643 5.490 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.461 4.065 -5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.373 5.550 -5.034 1.00 0.00 H new ATOM 1442 N THR A 94 -7.930 5.608 -4.278 1.00 0.00 N ATOM 1443 CA THR A 94 -6.607 5.056 -4.516 1.00 0.00 C ATOM 1444 C THR A 94 -5.598 5.644 -3.527 1.00 0.00 C ATOM 1445 O THR A 94 -5.698 6.811 -3.153 1.00 0.00 O ATOM 1446 CB THR A 94 -6.243 5.314 -5.979 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.137 4.480 -6.712 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.855 4.781 -6.341 1.00 0.00 C ATOM 0 H THR A 94 -7.938 6.493 -3.772 1.00 0.00 H new ATOM 0 HA THR A 94 -6.592 3.979 -4.347 1.00 0.00 H new ATOM 0 HB THR A 94 -6.284 6.385 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.613 3.887 -6.093 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.647 4.990 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.105 5.268 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.823 3.705 -6.173 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.650 4.807 -3.131 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.624 5.228 -2.192 1.00 0.00 C ATOM 1458 C VAL A 95 -2.266 5.231 -2.896 1.00 0.00 C ATOM 1459 O VAL A 95 -1.848 4.216 -3.450 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.653 4.335 -0.950 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.530 2.859 -1.333 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.557 4.738 0.039 1.00 0.00 C ATOM 0 H VAL A 95 -4.571 3.839 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.814 6.245 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.616 4.474 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.553 2.246 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.360 2.581 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.589 2.697 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.599 4.088 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.582 4.641 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.708 5.772 0.348 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.614 6.384 -2.850 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.311 6.532 -3.476 1.00 0.00 C ATOM 1474 C LEU A 96 0.781 6.340 -2.422 1.00 0.00 C ATOM 1475 O LEU A 96 0.604 6.715 -1.264 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.222 7.868 -4.218 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.364 7.800 -5.740 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.131 9.092 -6.394 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.344 6.566 -6.302 1.00 0.00 C ATOM 0 H LEU A 96 -1.964 7.224 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.162 5.762 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.997 8.529 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.737 8.329 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.422 7.701 -5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.019 9.018 -7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.455 9.934 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.182 9.245 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.228 6.542 -7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.404 6.609 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.095 5.667 -5.870 1.00 0.00 H new ATOM 1491 N ILE A 97 1.886 5.756 -2.861 1.00 0.00 N ATOM 1492 CA ILE A 97 3.007 5.510 -1.970 1.00 0.00 C ATOM 1493 C ILE A 97 4.311 5.872 -2.685 1.00 0.00 C ATOM 1494 O ILE A 97 4.910 5.033 -3.355 1.00 0.00 O ATOM 1495 CB ILE A 97 2.971 4.071 -1.449 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.584 3.718 -0.911 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.067 3.838 -0.407 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.308 4.439 0.411 1.00 0.00 C ATOM 0 H ILE A 97 2.029 5.446 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 97 2.939 6.147 -1.088 1.00 0.00 H new ATOM 0 HB ILE A 97 3.173 3.400 -2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.825 3.992 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.511 2.640 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.019 2.808 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.042 4.022 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.921 4.517 0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.315 4.170 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.054 4.144 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.358 5.517 0.255 1.00 0.00 H new ATOM 1510 N LEU A 98 4.711 7.124 -2.517 1.00 0.00 N ATOM 1511 CA LEU A 98 5.932 7.608 -3.138 1.00 0.00 C ATOM 1512 C LEU A 98 7.139 7.083 -2.358 1.00 0.00 C ATOM 1513 O LEU A 98 7.258 7.322 -1.157 1.00 0.00 O ATOM 1514 CB LEU A 98 5.900 9.133 -3.268 1.00 0.00 C ATOM 1515 CG LEU A 98 4.785 9.708 -4.143 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.238 11.008 -3.551 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.259 9.890 -5.586 1.00 0.00 C ATOM 0 H LEU A 98 4.211 7.817 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 98 6.018 7.226 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.809 9.561 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.858 9.464 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 98 3.963 8.992 -4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.447 11.395 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.836 10.814 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.041 11.742 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.447 10.300 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.107 10.574 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.561 8.925 -5.994 1.00 0.00 H new ATOM 1529 N CYS A 99 8.004 6.378 -3.072 1.00 0.00 N ATOM 1530 CA CYS A 99 9.197 5.817 -2.461 1.00 0.00 C ATOM 1531 C CYS A 99 10.420 6.404 -3.168 1.00 0.00 C ATOM 1532 O CYS A 99 10.643 6.142 -4.349 1.00 0.00 O ATOM 1533 CB CYS A 99 9.190 4.288 -2.506 1.00 0.00 C ATOM 1534 SG CYS A 99 8.044 3.629 -1.241 1.00 0.00 S ATOM 0 H CYS A 99 7.903 6.182 -4.068 1.00 0.00 H new ATOM 0 HA CYS A 99 9.227 6.083 -1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.887 3.947 -3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.196 3.906 -2.331 1.00 0.00 H new ATOM 0 HG CYS A 99 8.044 2.330 -1.290 1.00 0.00 H new ATOM 1540 N ARG A 100 11.180 7.186 -2.416 1.00 0.00 N ATOM 1541 CA ARG A 100 12.375 7.812 -2.957 1.00 0.00 C ATOM 1542 C ARG A 100 13.341 6.747 -3.481 1.00 0.00 C ATOM 1543 O ARG A 100 13.396 5.639 -2.951 1.00 0.00 O ATOM 1544 CB ARG A 100 13.084 8.655 -1.895 1.00 0.00 C ATOM 1545 CG ARG A 100 12.614 10.111 -1.948 1.00 0.00 C ATOM 1546 CD ARG A 100 12.682 10.657 -3.375 1.00 0.00 C ATOM 1547 NE ARG A 100 11.341 10.611 -3.999 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.329 11.424 -3.665 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.500 12.351 -2.713 1.00 0.00 N ATOM 1550 NH2 ARG A 100 9.146 11.311 -4.285 1.00 0.00 N ATOM 0 H ARG A 100 10.992 7.401 -1.437 1.00 0.00 H new ATOM 0 HA ARG A 100 12.067 8.463 -3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.887 8.241 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.162 8.611 -2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.592 10.181 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.234 10.721 -1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.052 11.682 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.387 10.070 -3.964 1.00 0.00 H new ATOM 0 HE ARG A 100 11.177 9.917 -4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.401 12.438 -2.242 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.730 12.969 -2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.016 10.606 -5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.376 11.930 -4.031 1.00 0.00 H new ATOM 1564 N LYS A 101 14.080 7.122 -4.515 1.00 0.00 N ATOM 1565 CA LYS A 101 15.041 6.213 -5.117 1.00 0.00 C ATOM 1566 C LYS A 101 16.446 6.563 -4.622 1.00 0.00 C ATOM 1567 O LYS A 101 16.888 7.704 -4.752 1.00 0.00 O ATOM 1568 CB LYS A 101 14.906 6.222 -6.640 1.00 0.00 C ATOM 1569 CG LYS A 101 14.081 5.028 -7.125 1.00 0.00 C ATOM 1570 CD LYS A 101 14.465 4.640 -8.554 1.00 0.00 C ATOM 1571 CE LYS A 101 14.249 3.144 -8.793 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.517 2.922 -10.060 1.00 0.00 N ATOM 0 H LYS A 101 14.033 8.043 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 101 14.840 5.187 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.433 7.150 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.895 6.194 -7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.237 4.179 -6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.020 5.274 -7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.869 5.215 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.509 4.894 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.211 2.633 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.689 2.714 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.950 2.131 -10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.523 2.697 -9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.562 3.782 -10.642 1.00 0.00 H new ATOM 1585 N LYS A 102 17.109 5.561 -4.064 1.00 0.00 N ATOM 1586 CA LYS A 102 18.455 5.748 -3.549 1.00 0.00 C ATOM 1587 C LYS A 102 19.404 6.046 -4.711 1.00 0.00 C ATOM 1588 O LYS A 102 20.421 6.714 -4.531 1.00 0.00 O ATOM 1589 CB LYS A 102 18.877 4.545 -2.703 1.00 0.00 C ATOM 1590 CG LYS A 102 20.103 4.878 -1.850 1.00 0.00 C ATOM 1591 CD LYS A 102 20.284 3.854 -0.728 1.00 0.00 C ATOM 1592 CE LYS A 102 21.768 3.617 -0.437 1.00 0.00 C ATOM 1593 NZ LYS A 102 22.356 4.791 0.244 1.00 0.00 N ATOM 0 H LYS A 102 16.739 4.616 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 102 18.491 6.607 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 102 18.052 4.242 -2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.101 3.699 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.994 4.896 -2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.994 5.875 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.784 4.206 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.810 2.914 -1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 102 21.885 2.731 0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.301 3.424 -1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 23.363 4.614 0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 22.261 5.629 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.858 4.957 1.142 1.00 0.00 H new ATOM 1607 N VAL A 103 19.038 5.535 -5.878 1.00 0.00 N ATOM 1608 CA VAL A 103 19.845 5.738 -7.069 1.00 0.00 C ATOM 1609 C VAL A 103 18.941 5.707 -8.303 1.00 0.00 C ATOM 1610 O VAL A 103 18.327 4.683 -8.601 1.00 0.00 O ATOM 1611 CB VAL A 103 20.968 4.701 -7.124 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.635 3.486 -6.254 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.255 4.279 -8.567 1.00 0.00 C ATOM 0 H VAL A 103 18.194 4.981 -6.024 1.00 0.00 H new ATOM 0 HA VAL A 103 20.326 6.716 -7.042 1.00 0.00 H new ATOM 0 HB VAL A 103 21.871 5.163 -6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.449 2.764 -6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.503 3.804 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.715 3.024 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.057 3.541 -8.578 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.356 3.844 -9.004 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.556 5.151 -9.148 1.00 0.00 H new ATOM 1623 N GLU A 104 18.888 6.840 -8.987 1.00 0.00 N ATOM 1624 CA GLU A 104 18.069 6.955 -10.182 1.00 0.00 C ATOM 1625 C GLU A 104 18.627 6.066 -11.296 1.00 0.00 C ATOM 1626 O GLU A 104 19.708 5.496 -11.157 1.00 0.00 O ATOM 1627 CB GLU A 104 17.970 8.411 -10.641 1.00 0.00 C ATOM 1628 CG GLU A 104 17.467 9.310 -9.509 1.00 0.00 C ATOM 1629 CD GLU A 104 18.636 9.891 -8.711 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.621 10.299 -9.363 1.00 0.00 O ATOM 1631 OE2 GLU A 104 18.517 9.915 -7.467 1.00 0.00 O ATOM 0 H GLU A 104 19.399 7.687 -8.737 1.00 0.00 H new ATOM 0 HA GLU A 104 17.062 6.615 -9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.947 8.757 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.295 8.482 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.866 10.120 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.818 8.738 -8.846 1.00 0.00 H new ATOM 1638 N ASN A 105 17.864 5.975 -12.375 1.00 0.00 N ATOM 1639 CA ASN A 105 18.269 5.165 -13.512 1.00 0.00 C ATOM 1640 C ASN A 105 18.456 3.716 -13.059 1.00 0.00 C ATOM 1641 O ASN A 105 19.481 3.100 -13.345 1.00 0.00 O ATOM 1642 CB ASN A 105 19.597 5.655 -14.091 1.00 0.00 C ATOM 1643 CG ASN A 105 19.497 7.116 -14.534 1.00 0.00 C ATOM 1644 OD1 ASN A 105 19.649 8.040 -13.752 1.00 0.00 O ATOM 1645 ND2 ASN A 105 19.234 7.272 -15.828 1.00 0.00 N ATOM 0 H ASN A 105 16.968 6.449 -12.486 1.00 0.00 H new ATOM 0 HA ASN A 105 17.494 5.241 -14.274 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.384 5.551 -13.344 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.879 5.032 -14.940 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.148 8.209 -16.222 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.118 6.455 -16.427 1.00 0.00 H new ATOM 1652 N THR A 106 17.449 3.214 -12.359 1.00 0.00 N ATOM 1653 CA THR A 106 17.490 1.848 -11.864 1.00 0.00 C ATOM 1654 C THR A 106 16.124 1.179 -12.031 1.00 0.00 C ATOM 1655 O THR A 106 15.185 1.485 -11.299 1.00 0.00 O ATOM 1656 CB THR A 106 17.973 1.886 -10.413 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.380 2.085 -10.521 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.841 0.530 -9.716 1.00 0.00 C ATOM 0 H THR A 106 16.600 3.728 -12.123 1.00 0.00 H new ATOM 0 HA THR A 106 18.188 1.240 -12.439 1.00 0.00 H new ATOM 0 HB THR A 106 17.405 2.635 -9.861 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.814 1.811 -9.686 1.00 0.00 H new ATOM 0 HG21 THR A 106 18.198 0.612 -8.689 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.795 0.222 -9.713 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.436 -0.212 -10.248 1.00 0.00 H new ATOM 1666 N ARG A 107 16.057 0.279 -13.001 1.00 0.00 N ATOM 1667 CA ARG A 107 14.822 -0.436 -13.274 1.00 0.00 C ATOM 1668 C ARG A 107 14.490 -1.383 -12.119 1.00 0.00 C ATOM 1669 O ARG A 107 15.385 -1.840 -11.410 1.00 0.00 O ATOM 1670 CB ARG A 107 14.928 -1.242 -14.571 1.00 0.00 C ATOM 1671 CG ARG A 107 13.553 -1.420 -15.219 1.00 0.00 C ATOM 1672 CD ARG A 107 13.577 -0.978 -16.684 1.00 0.00 C ATOM 1673 NE ARG A 107 12.826 0.288 -16.842 1.00 0.00 N ATOM 1674 CZ ARG A 107 12.595 0.881 -18.021 1.00 0.00 C ATOM 1675 NH1 ARG A 107 13.054 0.327 -19.151 1.00 0.00 N ATOM 1676 NH2 ARG A 107 11.905 2.029 -18.070 1.00 0.00 N ATOM 0 H ARG A 107 16.838 0.029 -13.608 1.00 0.00 H new ATOM 0 HA ARG A 107 14.028 0.303 -13.382 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.598 -0.735 -15.265 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.365 -2.219 -14.362 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.249 -2.465 -15.155 1.00 0.00 H new ATOM 0 HG3 ARG A 107 12.811 -0.839 -14.672 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.607 -0.844 -17.015 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.138 -1.752 -17.313 1.00 0.00 H new ATOM 0 HE ARG A 107 12.462 0.737 -16.001 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.579 -0.546 -19.114 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.878 0.779 -20.048 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.556 2.451 -17.210 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.729 2.480 -18.968 1.00 0.00 H new ATOM 1690 N TRP A 108 13.201 -1.649 -11.966 1.00 0.00 N ATOM 1691 CA TRP A 108 12.740 -2.533 -10.909 1.00 0.00 C ATOM 1692 C TRP A 108 12.032 -3.722 -11.562 1.00 0.00 C ATOM 1693 O TRP A 108 10.840 -3.654 -11.856 1.00 0.00 O ATOM 1694 CB TRP A 108 11.852 -1.782 -9.915 1.00 0.00 C ATOM 1695 CG TRP A 108 12.628 -0.952 -8.890 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.786 -0.300 -9.064 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.254 -0.711 -7.518 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.183 0.342 -7.908 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.222 0.084 -6.938 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.134 -1.150 -6.790 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.168 0.508 -5.605 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.095 -0.717 -5.459 1.00 0.00 C ATOM 1703 CH2 TRP A 108 12.061 0.083 -4.861 1.00 0.00 C ATOM 0 H TRP A 108 12.462 -1.268 -12.556 1.00 0.00 H new ATOM 0 HA TRP A 108 13.581 -2.906 -10.325 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.182 -1.124 -10.468 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.227 -2.502 -9.386 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.339 -0.279 -9.992 1.00 0.00 H new ATOM 0 HE1 TRP A 108 15.027 0.903 -7.788 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.365 -1.772 -7.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.939 1.130 -5.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.255 -1.027 -4.855 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.958 0.376 -3.827 1.00 0.00 H new ATOM 1714 N ASP A 109 12.798 -4.783 -11.770 1.00 0.00 N ATOM 1715 CA ASP A 109 12.259 -5.986 -12.383 1.00 0.00 C ATOM 1716 C ASP A 109 11.103 -6.513 -11.531 1.00 0.00 C ATOM 1717 O ASP A 109 10.283 -7.297 -12.008 1.00 0.00 O ATOM 1718 CB ASP A 109 13.322 -7.083 -12.470 1.00 0.00 C ATOM 1719 CG ASP A 109 14.120 -7.108 -13.775 1.00 0.00 C ATOM 1720 OD1 ASP A 109 15.007 -6.239 -13.915 1.00 0.00 O ATOM 1721 OD2 ASP A 109 13.824 -7.996 -14.604 1.00 0.00 O ATOM 0 H ASP A 109 13.787 -4.835 -11.525 1.00 0.00 H new ATOM 0 HA ASP A 109 11.921 -5.731 -13.388 1.00 0.00 H new ATOM 0 HB2 ASP A 109 14.017 -6.961 -11.639 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.836 -8.050 -12.340 1.00 0.00 H new ATOM 1726 N TYR A 110 11.075 -6.063 -10.285 1.00 0.00 N ATOM 1727 CA TYR A 110 10.033 -6.481 -9.362 1.00 0.00 C ATOM 1728 C TYR A 110 9.949 -5.532 -8.165 1.00 0.00 C ATOM 1729 O TYR A 110 10.961 -4.981 -7.733 1.00 0.00 O ATOM 1730 CB TYR A 110 10.439 -7.871 -8.869 1.00 0.00 C ATOM 1731 CG TYR A 110 10.558 -8.915 -9.981 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.420 -9.468 -10.532 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.802 -9.304 -10.431 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.532 -10.452 -11.579 1.00 0.00 C ATOM 1735 CE2 TYR A 110 11.914 -10.287 -11.478 1.00 0.00 C ATOM 1736 CZ TYR A 110 10.774 -10.813 -12.000 1.00 0.00 C ATOM 1737 OH TYR A 110 10.879 -11.741 -12.988 1.00 0.00 O ATOM 0 H TYR A 110 11.757 -5.413 -9.893 1.00 0.00 H new ATOM 0 HA TYR A 110 9.061 -6.480 -9.854 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.395 -7.797 -8.351 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.706 -8.215 -8.139 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.446 -9.164 -10.179 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.692 -8.872 -9.999 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.650 -10.893 -12.019 1.00 0.00 H new ATOM 0 HE2 TYR A 110 12.882 -10.599 -11.840 1.00 0.00 H new ATOM 0 HH TYR A 110 11.825 -11.900 -13.188 1.00 0.00 H new ATOM 1747 N LEU A 111 8.734 -5.370 -7.663 1.00 0.00 N ATOM 1748 CA LEU A 111 8.505 -4.497 -6.524 1.00 0.00 C ATOM 1749 C LEU A 111 9.348 -4.978 -5.341 1.00 0.00 C ATOM 1750 O LEU A 111 9.790 -4.174 -4.522 1.00 0.00 O ATOM 1751 CB LEU A 111 7.009 -4.401 -6.214 1.00 0.00 C ATOM 1752 CG LEU A 111 6.514 -3.043 -5.715 1.00 0.00 C ATOM 1753 CD1 LEU A 111 5.118 -3.162 -5.098 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.517 -2.416 -4.745 1.00 0.00 C ATOM 0 H LEU A 111 7.897 -5.828 -8.024 1.00 0.00 H new ATOM 0 HA LEU A 111 8.826 -3.481 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.454 -4.659 -7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.765 -5.153 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 111 6.433 -2.373 -6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.789 -2.183 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.420 -3.535 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.150 -3.853 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.140 -1.451 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.654 -3.074 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.472 -2.275 -5.250 1.00 0.00 H new ATOM 1766 N THR A 112 9.545 -6.287 -5.289 1.00 0.00 N ATOM 1767 CA THR A 112 10.328 -6.884 -4.221 1.00 0.00 C ATOM 1768 C THR A 112 11.174 -8.039 -4.760 1.00 0.00 C ATOM 1769 O THR A 112 10.794 -8.690 -5.732 1.00 0.00 O ATOM 1770 CB THR A 112 9.365 -7.305 -3.108 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.290 -7.935 -3.799 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.711 -6.107 -2.416 1.00 0.00 C ATOM 0 H THR A 112 9.176 -6.951 -5.970 1.00 0.00 H new ATOM 0 HA THR A 112 11.038 -6.169 -3.805 1.00 0.00 H new ATOM 0 HB THR A 112 9.901 -7.902 -2.371 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.620 -8.241 -3.152 1.00 0.00 H new ATOM 0 HG21 THR A 112 8.038 -6.461 -1.635 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.482 -5.478 -1.972 1.00 0.00 H new ATOM 0 HG23 THR A 112 8.147 -5.528 -3.147 1.00 0.00 H new