USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 715 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 Single : A 368 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 369 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 372 SER OG : rot 180:sc= 0 USER MOD Single : A 373 SER OG : rot -29:sc= 0.141 USER MOD Single : A 376 TYR OH : rot 64:sc= -0.76 USER MOD Single : A 377 GLN :FLIP amide:sc= -0.268 F(o=-0.82,f=-0.27) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 SER OG : rot 180:sc= 0 USER MOD Single : A 390 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.63) USER MOD Single : A 399 ASN : amide:sc= 0.246 K(o=0.25,f=-3.4!) USER MOD Single : A 401 THR OG1 : rot 180:sc= 0 USER MOD Single : A 402 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.069) USER MOD Single : A 406 SER OG : rot 71:sc= 1.14 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 LYS NZ :NH3+ -139:sc= -0.0811 (180deg=-0.7) USER MOD Single : A 417 THR OG1 : rot 180:sc= 0 USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 420 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 421 SER OG : rot -92:sc= 0.062 USER MOD Single : A 425 ASN :FLIP amide:sc= -0.288 F(o=-1,f=-0.29) USER MOD Single : A 429 MET CE :methyl 160:sc= -0.07 (180deg=-1.01) USER MOD Single : A 430 GLN : amide:sc=-0.000807 X(o=-0.00081,f=-0.018) USER MOD Single : A 431 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 434 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 444 TYR OH : rot -14:sc= 0.0441 USER MOD Single : A 445 GLN : amide:sc= -0.0248 K(o=-0.025,f=-1.2!) USER MOD Single : A 451 SER OG : rot 80:sc= 0.49 USER MOD Single : A 453 ASN : amide:sc= -0.813 K(o=-0.81,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 368 -10.578 8.589 -14.753 1.00 0.00 N ATOM 2 CA ASN A 368 -9.856 8.975 -13.512 1.00 0.00 C ATOM 3 C ASN A 368 -10.337 10.327 -12.993 1.00 0.00 C ATOM 4 O ASN A 368 -10.128 11.357 -13.631 1.00 0.00 O ATOM 5 CB ASN A 368 -8.358 9.028 -13.816 1.00 0.00 C ATOM 6 CG ASN A 368 -7.517 8.465 -12.687 1.00 0.00 C ATOM 7 OD1 ASN A 368 -7.888 8.559 -11.517 1.00 0.00 O ATOM 8 ND2 ASN A 368 -6.380 7.876 -13.034 1.00 0.00 N ATOM 0 HA ASN A 368 -10.056 8.236 -12.736 1.00 0.00 H new ATOM 0 HB2 ASN A 368 -8.156 8.469 -14.729 1.00 0.00 H new ATOM 0 HB3 ASN A 368 -8.065 10.061 -14.003 1.00 0.00 H new ATOM 0 HD21 ASN A 368 -5.773 7.478 -12.318 1.00 0.00 H new ATOM 0 HD22 ASN A 368 -6.113 7.822 -14.017 1.00 0.00 H new ATOM 15 N THR A 369 -10.981 10.312 -11.831 1.00 0.00 N ATOM 16 CA THR A 369 -11.491 11.536 -11.224 1.00 0.00 C ATOM 17 C THR A 369 -11.212 11.566 -9.726 1.00 0.00 C ATOM 18 O THR A 369 -10.479 12.426 -9.237 1.00 0.00 O ATOM 19 CB THR A 369 -13.006 11.691 -11.457 1.00 0.00 C ATOM 20 OG1 THR A 369 -13.659 10.428 -11.283 1.00 0.00 O ATOM 21 CG2 THR A 369 -13.286 12.223 -12.854 1.00 0.00 C ATOM 0 H THR A 369 -11.162 9.466 -11.291 1.00 0.00 H new ATOM 0 HA THR A 369 -10.971 12.366 -11.703 1.00 0.00 H new ATOM 0 HB THR A 369 -13.393 12.404 -10.729 1.00 0.00 H new ATOM 0 HG1 THR A 369 -14.622 10.534 -11.431 1.00 0.00 H new ATOM 0 HG21 THR A 369 -14.362 12.324 -12.996 1.00 0.00 H new ATOM 0 HG22 THR A 369 -12.811 13.197 -12.975 1.00 0.00 H new ATOM 0 HG23 THR A 369 -12.886 11.530 -13.594 1.00 0.00 H new ATOM 29 N GLU A 370 -11.799 10.620 -9.001 1.00 0.00 N ATOM 30 CA GLU A 370 -11.613 10.537 -7.556 1.00 0.00 C ATOM 31 C GLU A 370 -11.370 9.097 -7.120 1.00 0.00 C ATOM 32 O GLU A 370 -11.752 8.154 -7.811 1.00 0.00 O ATOM 33 CB GLU A 370 -12.837 11.101 -6.829 1.00 0.00 C ATOM 34 CG GLU A 370 -12.957 12.613 -6.925 1.00 0.00 C ATOM 35 CD GLU A 370 -14.384 13.070 -7.158 1.00 0.00 C ATOM 36 OE1 GLU A 370 -15.202 12.959 -6.222 1.00 0.00 O ATOM 37 OE2 GLU A 370 -14.682 13.540 -8.277 1.00 0.00 O ATOM 0 H GLU A 370 -12.408 9.900 -9.390 1.00 0.00 H new ATOM 0 HA GLU A 370 -10.737 11.130 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -13.737 10.646 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -12.789 10.814 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -12.581 13.063 -6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -12.327 12.973 -7.738 1.00 0.00 H new ATOM 44 N VAL A 371 -10.729 8.934 -5.966 1.00 0.00 N ATOM 45 CA VAL A 371 -10.433 7.608 -5.438 1.00 0.00 C ATOM 46 C VAL A 371 -11.598 7.076 -4.610 1.00 0.00 C ATOM 47 O VAL A 371 -12.151 7.785 -3.769 1.00 0.00 O ATOM 48 CB VAL A 371 -9.163 7.622 -4.565 1.00 0.00 C ATOM 49 CG1 VAL A 371 -8.758 6.205 -4.187 1.00 0.00 C ATOM 50 CG2 VAL A 371 -8.029 8.335 -5.285 1.00 0.00 C ATOM 0 H VAL A 371 -10.405 9.704 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 371 -10.269 6.954 -6.295 1.00 0.00 H new ATOM 0 HB VAL A 371 -9.381 8.169 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 371 -7.859 6.236 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 371 -9.566 5.733 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 371 -8.558 5.630 -5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 371 -7.140 8.335 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 371 -7.810 7.819 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 371 -8.323 9.363 -5.498 1.00 0.00 H new ATOM 60 N SER A 372 -11.966 5.822 -4.855 1.00 0.00 N ATOM 61 CA SER A 372 -13.067 5.195 -4.132 1.00 0.00 C ATOM 62 C SER A 372 -12.548 4.355 -2.970 1.00 0.00 C ATOM 63 O SER A 372 -11.340 4.235 -2.768 1.00 0.00 O ATOM 64 CB SER A 372 -13.894 4.322 -5.078 1.00 0.00 C ATOM 65 OG SER A 372 -14.681 5.116 -5.950 1.00 0.00 O ATOM 0 H SER A 372 -11.519 5.221 -5.547 1.00 0.00 H new ATOM 0 HA SER A 372 -13.701 5.985 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 372 -13.231 3.684 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 372 -14.541 3.664 -4.498 1.00 0.00 H new ATOM 0 HG SER A 372 -15.198 4.534 -6.545 1.00 0.00 H new ATOM 71 N SER A 373 -13.470 3.776 -2.207 1.00 0.00 N ATOM 72 CA SER A 373 -13.107 2.946 -1.064 1.00 0.00 C ATOM 73 C SER A 373 -12.390 1.672 -1.508 1.00 0.00 C ATOM 74 O SER A 373 -11.765 0.989 -0.698 1.00 0.00 O ATOM 75 CB SER A 373 -14.354 2.587 -0.254 1.00 0.00 C ATOM 76 OG SER A 373 -14.018 1.809 0.882 1.00 0.00 O ATOM 0 H SER A 373 -14.474 3.867 -2.360 1.00 0.00 H new ATOM 0 HA SER A 373 -12.424 3.520 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 373 -14.861 3.499 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 373 -15.053 2.036 -0.882 1.00 0.00 H new ATOM 0 HG SER A 373 -13.209 1.289 0.695 1.00 0.00 H new ATOM 82 N GLU A 374 -12.487 1.354 -2.798 1.00 0.00 N ATOM 83 CA GLU A 374 -11.849 0.159 -3.342 1.00 0.00 C ATOM 84 C GLU A 374 -10.368 0.109 -2.970 1.00 0.00 C ATOM 85 O GLU A 374 -9.788 -0.970 -2.840 1.00 0.00 O ATOM 86 CB GLU A 374 -12.003 0.122 -4.864 1.00 0.00 C ATOM 87 CG GLU A 374 -13.450 0.168 -5.329 1.00 0.00 C ATOM 88 CD GLU A 374 -13.606 0.840 -6.678 1.00 0.00 C ATOM 89 OE1 GLU A 374 -12.782 1.722 -7.001 1.00 0.00 O ATOM 90 OE2 GLU A 374 -14.552 0.486 -7.413 1.00 0.00 O ATOM 0 H GLU A 374 -13.001 1.907 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 374 -12.342 -0.711 -2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 374 -11.464 0.965 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 374 -11.536 -0.785 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 374 -13.842 -0.847 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 374 -14.049 0.701 -4.590 1.00 0.00 H new ATOM 97 N ILE A 375 -9.763 1.280 -2.802 1.00 0.00 N ATOM 98 CA ILE A 375 -8.353 1.366 -2.448 1.00 0.00 C ATOM 99 C ILE A 375 -8.078 0.667 -1.118 1.00 0.00 C ATOM 100 O ILE A 375 -7.064 -0.013 -0.960 1.00 0.00 O ATOM 101 CB ILE A 375 -7.882 2.833 -2.357 1.00 0.00 C ATOM 102 CG1 ILE A 375 -6.371 2.899 -2.126 1.00 0.00 C ATOM 103 CG2 ILE A 375 -8.626 3.567 -1.249 1.00 0.00 C ATOM 104 CD1 ILE A 375 -5.571 3.050 -3.401 1.00 0.00 C ATOM 0 H ILE A 375 -10.228 2.182 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 375 -7.796 0.866 -3.240 1.00 0.00 H new ATOM 0 HB ILE A 375 -8.106 3.325 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 375 -6.149 3.737 -1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 375 -6.050 1.994 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 375 -8.280 4.600 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 375 -9.696 3.552 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 375 -8.435 3.075 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 375 -4.508 3.090 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 375 -5.764 2.199 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 375 -5.864 3.970 -3.907 1.00 0.00 H new ATOM 116 N TYR A 376 -8.988 0.839 -0.165 1.00 0.00 N ATOM 117 CA TYR A 376 -8.844 0.224 1.149 1.00 0.00 C ATOM 118 C TYR A 376 -9.051 -1.285 1.071 1.00 0.00 C ATOM 119 O TYR A 376 -8.364 -2.052 1.746 1.00 0.00 O ATOM 120 CB TYR A 376 -9.843 0.837 2.134 1.00 0.00 C ATOM 121 CG TYR A 376 -9.565 2.287 2.458 1.00 0.00 C ATOM 122 CD1 TYR A 376 -10.001 3.302 1.616 1.00 0.00 C ATOM 123 CD2 TYR A 376 -8.863 2.641 3.603 1.00 0.00 C ATOM 124 CE1 TYR A 376 -9.749 4.629 1.907 1.00 0.00 C ATOM 125 CE2 TYR A 376 -8.608 3.965 3.902 1.00 0.00 C ATOM 126 CZ TYR A 376 -9.053 4.955 3.052 1.00 0.00 C ATOM 127 OH TYR A 376 -8.799 6.275 3.345 1.00 0.00 O ATOM 0 H TYR A 376 -9.833 1.399 -0.278 1.00 0.00 H new ATOM 0 HA TYR A 376 -7.831 0.415 1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 376 -10.847 0.753 1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 376 -9.830 0.259 3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 376 -10.546 3.050 0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 376 -8.511 1.868 4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 376 -10.095 5.406 1.242 1.00 0.00 H new ATOM 0 HE2 TYR A 376 -8.063 4.224 4.798 1.00 0.00 H new ATOM 0 HH TYR A 376 -9.645 6.745 3.498 1.00 0.00 H new ATOM 137 N GLN A 377 -10.000 -1.704 0.243 1.00 0.00 N ATOM 138 CA GLN A 377 -10.300 -3.122 0.075 1.00 0.00 C ATOM 139 C GLN A 377 -9.183 -3.827 -0.689 1.00 0.00 C ATOM 140 O GLN A 377 -8.918 -5.009 -0.472 1.00 0.00 O ATOM 141 CB GLN A 377 -11.628 -3.301 -0.661 1.00 0.00 C ATOM 142 CG GLN A 377 -12.381 -4.560 -0.260 1.00 0.00 C ATOM 143 CD GLN A 377 -12.941 -4.481 1.146 1.00 0.00 C ATOM 144 OE1 GLN A 377 -12.136 -4.874 2.126 1.00 0.00 O flip ATOM 145 NE2 GLN A 377 -14.083 -4.071 1.350 1.00 0.00 N flip ATOM 0 H GLN A 377 -10.576 -1.082 -0.324 1.00 0.00 H new ATOM 0 HA GLN A 377 -10.379 -3.571 1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 377 -12.260 -2.433 -0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 377 -11.439 -3.327 -1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 377 -13.196 -4.731 -0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 377 -11.712 -5.418 -0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 377 -14.668 -3.779 0.567 1.00 0.00 H new ATOM 0 HE22 GLN A 377 -14.445 -4.023 2.302 1.00 0.00 H new ATOM 154 N TRP A 378 -8.533 -3.094 -1.587 1.00 0.00 N ATOM 155 CA TRP A 378 -7.447 -3.649 -2.386 1.00 0.00 C ATOM 156 C TRP A 378 -6.257 -4.020 -1.505 1.00 0.00 C ATOM 157 O TRP A 378 -5.668 -5.091 -1.660 1.00 0.00 O ATOM 158 CB TRP A 378 -7.011 -2.649 -3.457 1.00 0.00 C ATOM 159 CG TRP A 378 -8.037 -2.444 -4.532 1.00 0.00 C ATOM 160 CD1 TRP A 378 -9.027 -3.310 -4.898 1.00 0.00 C ATOM 161 CD2 TRP A 378 -8.171 -1.299 -5.382 1.00 0.00 C ATOM 162 NE1 TRP A 378 -9.768 -2.773 -5.922 1.00 0.00 N ATOM 163 CE2 TRP A 378 -9.262 -1.540 -6.237 1.00 0.00 C ATOM 164 CE3 TRP A 378 -7.473 -0.093 -5.503 1.00 0.00 C ATOM 165 CZ2 TRP A 378 -9.673 -0.619 -7.198 1.00 0.00 C ATOM 166 CZ3 TRP A 378 -7.882 0.820 -6.458 1.00 0.00 C ATOM 167 CH2 TRP A 378 -8.973 0.553 -7.294 1.00 0.00 C ATOM 0 H TRP A 378 -8.740 -2.114 -1.780 1.00 0.00 H new ATOM 0 HA TRP A 378 -7.813 -4.554 -2.871 1.00 0.00 H new ATOM 0 HB2 TRP A 378 -6.795 -1.691 -2.983 1.00 0.00 H new ATOM 0 HB3 TRP A 378 -6.083 -2.996 -3.912 1.00 0.00 H new ATOM 0 HD1 TRP A 378 -9.202 -4.276 -4.448 1.00 0.00 H new ATOM 0 HE1 TRP A 378 -10.566 -3.220 -6.374 1.00 0.00 H new ATOM 0 HE3 TRP A 378 -6.630 0.121 -4.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 378 -10.514 -0.823 -7.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 378 -7.351 1.755 -6.561 1.00 0.00 H new ATOM 0 HH2 TRP A 378 -9.268 1.287 -8.029 1.00 0.00 H new ATOM 178 N VAL A 379 -5.909 -3.130 -0.583 1.00 0.00 N ATOM 179 CA VAL A 379 -4.789 -3.364 0.322 1.00 0.00 C ATOM 180 C VAL A 379 -5.103 -4.488 1.304 1.00 0.00 C ATOM 181 O VAL A 379 -4.262 -5.347 1.568 1.00 0.00 O ATOM 182 CB VAL A 379 -4.429 -2.093 1.111 1.00 0.00 C ATOM 183 CG1 VAL A 379 -3.149 -2.302 1.908 1.00 0.00 C ATOM 184 CG2 VAL A 379 -4.294 -0.902 0.174 1.00 0.00 C ATOM 0 H VAL A 379 -6.386 -2.240 -0.442 1.00 0.00 H new ATOM 0 HA VAL A 379 -3.938 -3.651 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 379 -5.236 -1.884 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 379 -2.911 -1.392 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 379 -3.287 -3.125 2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 379 -2.331 -2.538 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 379 -4.039 -0.013 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 379 -3.508 -1.100 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 379 -5.238 -0.739 -0.346 1.00 0.00 H new ATOM 194 N ARG A 380 -6.318 -4.475 1.842 1.00 0.00 N ATOM 195 CA ARG A 380 -6.742 -5.494 2.797 1.00 0.00 C ATOM 196 C ARG A 380 -6.690 -6.882 2.169 1.00 0.00 C ATOM 197 O ARG A 380 -6.211 -7.835 2.783 1.00 0.00 O ATOM 198 CB ARG A 380 -8.156 -5.198 3.294 1.00 0.00 C ATOM 199 CG ARG A 380 -8.196 -4.317 4.531 1.00 0.00 C ATOM 200 CD ARG A 380 -9.556 -4.368 5.208 1.00 0.00 C ATOM 201 NE ARG A 380 -9.496 -3.903 6.594 1.00 0.00 N ATOM 202 CZ ARG A 380 -10.437 -4.152 7.500 1.00 0.00 C ATOM 203 NH1 ARG A 380 -11.510 -4.862 7.175 1.00 0.00 N ATOM 204 NH2 ARG A 380 -10.305 -3.691 8.736 1.00 0.00 N ATOM 0 H ARG A 380 -7.026 -3.771 1.634 1.00 0.00 H new ATOM 0 HA ARG A 380 -6.056 -5.473 3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 380 -8.718 -4.714 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 380 -8.659 -6.140 3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 380 -7.427 -4.639 5.233 1.00 0.00 H new ATOM 0 HG3 ARG A 380 -7.965 -3.288 4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 380 -10.262 -3.753 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 380 -9.935 -5.390 5.184 1.00 0.00 H new ATOM 0 HE ARG A 380 -8.685 -3.356 6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 380 -11.616 -5.220 6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 380 -12.228 -5.050 7.874 1.00 0.00 H new ATOM 0 HH21 ARG A 380 -9.482 -3.146 8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 380 -11.027 -3.882 9.431 1.00 0.00 H new ATOM 218 N ASP A 381 -7.187 -6.990 0.941 1.00 0.00 N ATOM 219 CA ASP A 381 -7.197 -8.263 0.229 1.00 0.00 C ATOM 220 C ASP A 381 -5.783 -8.683 -0.155 1.00 0.00 C ATOM 221 O ASP A 381 -5.443 -9.866 -0.116 1.00 0.00 O ATOM 222 CB ASP A 381 -8.070 -8.163 -1.024 1.00 0.00 C ATOM 223 CG ASP A 381 -9.523 -8.497 -0.745 1.00 0.00 C ATOM 224 OD1 ASP A 381 -9.793 -9.158 0.278 1.00 0.00 O ATOM 225 OD2 ASP A 381 -10.389 -8.095 -1.551 1.00 0.00 O ATOM 0 H ASP A 381 -7.588 -6.211 0.418 1.00 0.00 H new ATOM 0 HA ASP A 381 -7.613 -9.020 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 381 -8.004 -7.154 -1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 381 -7.685 -8.839 -1.787 1.00 0.00 H new ATOM 230 N GLU A 382 -4.961 -7.706 -0.525 1.00 0.00 N ATOM 231 CA GLU A 382 -3.582 -7.975 -0.916 1.00 0.00 C ATOM 232 C GLU A 382 -2.784 -8.539 0.255 1.00 0.00 C ATOM 233 O GLU A 382 -2.022 -9.494 0.098 1.00 0.00 O ATOM 234 CB GLU A 382 -2.920 -6.697 -1.437 1.00 0.00 C ATOM 235 CG GLU A 382 -2.561 -6.756 -2.913 1.00 0.00 C ATOM 236 CD GLU A 382 -3.747 -7.113 -3.788 1.00 0.00 C ATOM 237 OE1 GLU A 382 -4.763 -6.388 -3.735 1.00 0.00 O ATOM 238 OE2 GLU A 382 -3.661 -8.117 -4.525 1.00 0.00 O ATOM 0 H GLU A 382 -5.226 -6.722 -0.562 1.00 0.00 H new ATOM 0 HA GLU A 382 -3.594 -8.719 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 382 -3.592 -5.855 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 382 -2.016 -6.504 -0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 382 -2.162 -5.791 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -1.770 -7.491 -3.062 1.00 0.00 H new ATOM 245 N LEU A 383 -2.965 -7.944 1.430 1.00 0.00 N ATOM 246 CA LEU A 383 -2.260 -8.386 2.628 1.00 0.00 C ATOM 247 C LEU A 383 -2.601 -9.837 2.954 1.00 0.00 C ATOM 248 O LEU A 383 -1.741 -10.607 3.381 1.00 0.00 O ATOM 249 CB LEU A 383 -2.613 -7.487 3.814 1.00 0.00 C ATOM 250 CG LEU A 383 -1.952 -6.109 3.802 1.00 0.00 C ATOM 251 CD1 LEU A 383 -2.515 -5.236 4.912 1.00 0.00 C ATOM 252 CD2 LEU A 383 -0.442 -6.242 3.939 1.00 0.00 C ATOM 0 H LEU A 383 -3.594 -7.155 1.578 1.00 0.00 H new ATOM 0 HA LEU A 383 -1.189 -8.317 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -3.695 -7.354 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.333 -7.999 4.734 1.00 0.00 H new ATOM 0 HG LEU A 383 -2.170 -5.631 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 383 -2.032 -4.259 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -3.589 -5.114 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -2.329 -5.708 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 383 0.013 -5.252 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 383 -0.204 -6.741 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 383 -0.052 -6.829 3.108 1.00 0.00 H new ATOM 264 N LYS A 384 -3.862 -10.204 2.748 1.00 0.00 N ATOM 265 CA LYS A 384 -4.317 -11.562 3.021 1.00 0.00 C ATOM 266 C LYS A 384 -3.900 -12.510 1.901 1.00 0.00 C ATOM 267 O LYS A 384 -3.647 -13.691 2.136 1.00 0.00 O ATOM 268 CB LYS A 384 -5.838 -11.589 3.190 1.00 0.00 C ATOM 269 CG LYS A 384 -6.351 -12.851 3.863 1.00 0.00 C ATOM 270 CD LYS A 384 -7.425 -12.538 4.893 1.00 0.00 C ATOM 271 CE LYS A 384 -7.609 -13.684 5.874 1.00 0.00 C ATOM 272 NZ LYS A 384 -8.554 -14.711 5.360 1.00 0.00 N ATOM 0 H LYS A 384 -4.586 -9.580 2.393 1.00 0.00 H new ATOM 0 HA LYS A 384 -3.850 -11.896 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -6.146 -10.723 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -6.306 -11.493 2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.754 -13.528 3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.523 -13.369 4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.156 -11.632 5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -8.369 -12.337 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -6.643 -14.148 6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.978 -13.294 6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -8.651 -15.475 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -9.483 -14.275 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -8.190 -15.103 4.468 1.00 0.00 H new ATOM 286 N ARG A 385 -3.834 -11.985 0.682 1.00 0.00 N ATOM 287 CA ARG A 385 -3.447 -12.786 -0.475 1.00 0.00 C ATOM 288 C ARG A 385 -2.004 -13.261 -0.351 1.00 0.00 C ATOM 289 O ARG A 385 -1.741 -14.459 -0.243 1.00 0.00 O ATOM 290 CB ARG A 385 -3.623 -11.976 -1.762 1.00 0.00 C ATOM 291 CG ARG A 385 -4.987 -12.148 -2.409 1.00 0.00 C ATOM 292 CD ARG A 385 -5.024 -11.543 -3.802 1.00 0.00 C ATOM 293 NE ARG A 385 -6.305 -10.901 -4.086 1.00 0.00 N ATOM 294 CZ ARG A 385 -7.403 -11.565 -4.440 1.00 0.00 C ATOM 295 NH1 ARG A 385 -7.382 -12.887 -4.552 1.00 0.00 N ATOM 296 NH2 ARG A 385 -8.527 -10.904 -4.681 1.00 0.00 N ATOM 0 H ARG A 385 -4.043 -11.010 0.469 1.00 0.00 H new ATOM 0 HA ARG A 385 -4.095 -13.662 -0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 385 -3.466 -10.920 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 385 -2.853 -12.271 -2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 385 -5.233 -13.208 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 385 -5.748 -11.677 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 385 -4.222 -10.811 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 385 -4.837 -12.322 -4.541 1.00 0.00 H new ATOM 0 HE ARG A 385 -6.361 -9.886 -4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 385 -6.521 -13.401 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 385 -8.227 -13.389 -4.824 1.00 0.00 H new ATOM 0 HH21 ARG A 385 -8.550 -9.888 -4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 385 -9.369 -11.412 -4.952 1.00 0.00 H new ATOM 310 N ALA A 386 -1.071 -12.313 -0.367 1.00 0.00 N ATOM 311 CA ALA A 386 0.347 -12.636 -0.255 1.00 0.00 C ATOM 312 C ALA A 386 0.711 -13.031 1.172 1.00 0.00 C ATOM 313 O ALA A 386 1.613 -13.837 1.392 1.00 0.00 O ATOM 314 CB ALA A 386 1.191 -11.456 -0.710 1.00 0.00 C ATOM 0 H ALA A 386 -1.271 -11.317 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 386 0.553 -13.489 -0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 386 2.248 -11.709 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 386 0.959 -11.222 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 386 0.972 -10.590 -0.086 1.00 0.00 H new ATOM 320 N GLY A 387 0.002 -12.458 2.138 1.00 0.00 N ATOM 321 CA GLY A 387 0.266 -12.762 3.532 1.00 0.00 C ATOM 322 C GLY A 387 1.508 -12.066 4.053 1.00 0.00 C ATOM 323 O GLY A 387 2.339 -12.681 4.720 1.00 0.00 O ATOM 0 H GLY A 387 -0.751 -11.788 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 387 -0.593 -12.465 4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 387 0.381 -13.839 3.650 1.00 0.00 H new ATOM 327 N ILE A 388 1.636 -10.779 3.747 1.00 0.00 N ATOM 328 CA ILE A 388 2.784 -9.998 4.189 1.00 0.00 C ATOM 329 C ILE A 388 2.391 -9.012 5.283 1.00 0.00 C ATOM 330 O ILE A 388 1.208 -8.748 5.499 1.00 0.00 O ATOM 331 CB ILE A 388 3.420 -9.223 3.019 1.00 0.00 C ATOM 332 CG1 ILE A 388 2.358 -8.399 2.287 1.00 0.00 C ATOM 333 CG2 ILE A 388 4.109 -10.182 2.061 1.00 0.00 C ATOM 334 CD1 ILE A 388 2.931 -7.475 1.235 1.00 0.00 C ATOM 0 H ILE A 388 0.958 -10.255 3.194 1.00 0.00 H new ATOM 0 HA ILE A 388 3.513 -10.705 4.586 1.00 0.00 H new ATOM 0 HB ILE A 388 4.170 -8.540 3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 388 1.645 -9.076 1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 388 1.803 -7.808 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 388 4.553 -9.619 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 388 4.889 -10.728 2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 388 3.379 -10.887 1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 388 2.122 -6.922 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 388 3.622 -6.774 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 388 3.462 -8.062 0.486 1.00 0.00 H new ATOM 346 N SER A 389 3.391 -8.471 5.972 1.00 0.00 N ATOM 347 CA SER A 389 3.150 -7.514 7.045 1.00 0.00 C ATOM 348 C SER A 389 2.924 -6.113 6.485 1.00 0.00 C ATOM 349 O SER A 389 3.401 -5.783 5.399 1.00 0.00 O ATOM 350 CB SER A 389 4.328 -7.501 8.021 1.00 0.00 C ATOM 351 OG SER A 389 4.560 -8.792 8.558 1.00 0.00 O ATOM 0 H SER A 389 4.376 -8.679 5.806 1.00 0.00 H new ATOM 0 HA SER A 389 2.250 -7.823 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 389 5.224 -7.150 7.509 1.00 0.00 H new ATOM 0 HB3 SER A 389 4.127 -6.798 8.830 1.00 0.00 H new ATOM 0 HG SER A 389 5.319 -8.757 9.177 1.00 0.00 H new ATOM 357 N GLN A 390 2.195 -5.292 7.235 1.00 0.00 N ATOM 358 CA GLN A 390 1.906 -3.926 6.814 1.00 0.00 C ATOM 359 C GLN A 390 3.192 -3.126 6.634 1.00 0.00 C ATOM 360 O GLN A 390 3.251 -2.204 5.822 1.00 0.00 O ATOM 361 CB GLN A 390 1.004 -3.237 7.840 1.00 0.00 C ATOM 362 CG GLN A 390 -0.436 -3.727 7.812 1.00 0.00 C ATOM 363 CD GLN A 390 -0.941 -4.134 9.183 1.00 0.00 C ATOM 364 OE1 GLN A 390 -0.206 -4.717 9.981 1.00 0.00 O ATOM 365 NE2 GLN A 390 -2.201 -3.825 9.466 1.00 0.00 N ATOM 0 H GLN A 390 1.794 -5.549 8.137 1.00 0.00 H new ATOM 0 HA GLN A 390 1.391 -3.970 5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 390 1.414 -3.397 8.837 1.00 0.00 H new ATOM 0 HB3 GLN A 390 1.017 -2.162 7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 390 -1.076 -2.940 7.412 1.00 0.00 H new ATOM 0 HG3 GLN A 390 -0.514 -4.577 7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 390 -2.775 -3.341 8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 390 -2.595 -4.071 10.374 1.00 0.00 H new ATOM 374 N ALA A 391 4.220 -3.487 7.397 1.00 0.00 N ATOM 375 CA ALA A 391 5.505 -2.803 7.321 1.00 0.00 C ATOM 376 C ALA A 391 6.077 -2.859 5.907 1.00 0.00 C ATOM 377 O ALA A 391 6.558 -1.855 5.382 1.00 0.00 O ATOM 378 CB ALA A 391 6.486 -3.413 8.311 1.00 0.00 C ATOM 0 H ALA A 391 4.187 -4.249 8.074 1.00 0.00 H new ATOM 0 HA ALA A 391 5.346 -1.756 7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 391 7.442 -2.893 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 391 6.090 -3.316 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 391 6.630 -4.468 8.077 1.00 0.00 H new ATOM 384 N VAL A 392 6.019 -4.037 5.297 1.00 0.00 N ATOM 385 CA VAL A 392 6.531 -4.224 3.944 1.00 0.00 C ATOM 386 C VAL A 392 5.644 -3.522 2.921 1.00 0.00 C ATOM 387 O VAL A 392 6.131 -2.778 2.070 1.00 0.00 O ATOM 388 CB VAL A 392 6.633 -5.717 3.583 1.00 0.00 C ATOM 389 CG1 VAL A 392 7.338 -5.897 2.245 1.00 0.00 C ATOM 390 CG2 VAL A 392 7.353 -6.484 4.680 1.00 0.00 C ATOM 0 H VAL A 392 5.623 -4.877 5.718 1.00 0.00 H new ATOM 0 HA VAL A 392 7.528 -3.785 3.918 1.00 0.00 H new ATOM 0 HB VAL A 392 5.624 -6.119 3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 392 7.401 -6.959 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 392 6.776 -5.383 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 392 8.343 -5.478 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 392 7.415 -7.537 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 392 8.358 -6.082 4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 392 6.803 -6.384 5.615 1.00 0.00 H new ATOM 400 N PHE A 393 4.341 -3.768 3.008 1.00 0.00 N ATOM 401 CA PHE A 393 3.386 -3.161 2.088 1.00 0.00 C ATOM 402 C PHE A 393 3.400 -1.641 2.213 1.00 0.00 C ATOM 403 O PHE A 393 3.340 -0.925 1.214 1.00 0.00 O ATOM 404 CB PHE A 393 1.977 -3.692 2.357 1.00 0.00 C ATOM 405 CG PHE A 393 0.975 -3.293 1.312 1.00 0.00 C ATOM 406 CD1 PHE A 393 0.355 -2.056 1.365 1.00 0.00 C ATOM 407 CD2 PHE A 393 0.654 -4.156 0.276 1.00 0.00 C ATOM 408 CE1 PHE A 393 -0.567 -1.684 0.405 1.00 0.00 C ATOM 409 CE2 PHE A 393 -0.269 -3.791 -0.686 1.00 0.00 C ATOM 410 CZ PHE A 393 -0.879 -2.554 -0.622 1.00 0.00 C ATOM 0 H PHE A 393 3.922 -4.383 3.706 1.00 0.00 H new ATOM 0 HA PHE A 393 3.680 -3.427 1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 393 2.013 -4.780 2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.640 -3.330 3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 393 0.595 -1.373 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 393 1.130 -5.124 0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -1.042 -0.716 0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -0.513 -4.473 -1.487 1.00 0.00 H new ATOM 0 HZ PHE A 393 -1.599 -2.267 -1.374 1.00 0.00 H new ATOM 420 N ALA A 394 3.484 -1.154 3.447 1.00 0.00 N ATOM 421 CA ALA A 394 3.506 0.281 3.703 1.00 0.00 C ATOM 422 C ALA A 394 4.731 0.934 3.072 1.00 0.00 C ATOM 423 O ALA A 394 4.695 2.102 2.688 1.00 0.00 O ATOM 424 CB ALA A 394 3.473 0.550 5.200 1.00 0.00 C ATOM 0 H ALA A 394 3.538 -1.733 4.285 1.00 0.00 H new ATOM 0 HA ALA A 394 2.619 0.720 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 394 3.490 1.625 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 394 2.563 0.126 5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 394 4.342 0.091 5.671 1.00 0.00 H new ATOM 430 N ARG A 395 5.815 0.171 2.969 1.00 0.00 N ATOM 431 CA ARG A 395 7.052 0.677 2.386 1.00 0.00 C ATOM 432 C ARG A 395 6.967 0.700 0.863 1.00 0.00 C ATOM 433 O ARG A 395 7.301 1.699 0.228 1.00 0.00 O ATOM 434 CB ARG A 395 8.239 -0.181 2.829 1.00 0.00 C ATOM 435 CG ARG A 395 9.578 0.527 2.714 1.00 0.00 C ATOM 436 CD ARG A 395 9.734 1.605 3.775 1.00 0.00 C ATOM 437 NE ARG A 395 11.055 1.571 4.399 1.00 0.00 N ATOM 438 CZ ARG A 395 11.455 0.617 5.236 1.00 0.00 C ATOM 439 NH1 ARG A 395 10.641 -0.384 5.551 1.00 0.00 N ATOM 440 NH2 ARG A 395 12.672 0.661 5.759 1.00 0.00 N ATOM 0 H ARG A 395 5.861 -0.799 3.281 1.00 0.00 H new ATOM 0 HA ARG A 395 7.199 1.698 2.739 1.00 0.00 H new ATOM 0 HB2 ARG A 395 8.088 -0.489 3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 395 8.265 -1.089 2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 395 10.384 -0.200 2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 395 9.670 0.974 1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 395 9.571 2.584 3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 395 8.968 1.475 4.540 1.00 0.00 H new ATOM 0 HE ARG A 395 11.709 2.323 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 395 9.704 -0.424 5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 395 10.953 -1.112 6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 395 13.302 1.426 5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 395 12.978 -0.070 6.401 1.00 0.00 H new ATOM 454 N VAL A 396 6.519 -0.409 0.284 1.00 0.00 N ATOM 455 CA VAL A 396 6.390 -0.516 -1.165 1.00 0.00 C ATOM 456 C VAL A 396 5.200 0.289 -1.674 1.00 0.00 C ATOM 457 O VAL A 396 5.203 0.770 -2.806 1.00 0.00 O ATOM 458 CB VAL A 396 6.231 -1.982 -1.609 1.00 0.00 C ATOM 459 CG1 VAL A 396 7.524 -2.752 -1.387 1.00 0.00 C ATOM 460 CG2 VAL A 396 5.076 -2.642 -0.870 1.00 0.00 C ATOM 0 H VAL A 396 6.239 -1.246 0.795 1.00 0.00 H new ATOM 0 HA VAL A 396 7.307 -0.112 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 396 6.006 -1.996 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.391 -3.786 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 396 8.325 -2.293 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 396 7.783 -2.730 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 396 4.979 -3.677 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 396 5.268 -2.617 0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 396 4.152 -2.105 -1.086 1.00 0.00 H new ATOM 470 N ALA A 397 4.181 0.432 -0.831 1.00 0.00 N ATOM 471 CA ALA A 397 2.985 1.179 -1.199 1.00 0.00 C ATOM 472 C ALA A 397 3.255 2.680 -1.207 1.00 0.00 C ATOM 473 O ALA A 397 3.124 3.339 -2.237 1.00 0.00 O ATOM 474 CB ALA A 397 1.845 0.850 -0.247 1.00 0.00 C ATOM 0 H ALA A 397 4.161 0.040 0.111 1.00 0.00 H new ATOM 0 HA ALA A 397 2.698 0.884 -2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 397 0.958 1.415 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 397 1.627 -0.217 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 397 2.132 1.116 0.770 1.00 0.00 H new ATOM 480 N PHE A 398 3.633 3.214 -0.050 1.00 0.00 N ATOM 481 CA PHE A 398 3.923 4.637 0.077 1.00 0.00 C ATOM 482 C PHE A 398 5.028 4.881 1.099 1.00 0.00 C ATOM 483 O PHE A 398 4.807 4.773 2.305 1.00 0.00 O ATOM 484 CB PHE A 398 2.660 5.401 0.481 1.00 0.00 C ATOM 485 CG PHE A 398 1.972 4.829 1.689 1.00 0.00 C ATOM 486 CD1 PHE A 398 1.179 3.699 1.579 1.00 0.00 C ATOM 487 CD2 PHE A 398 2.121 5.422 2.933 1.00 0.00 C ATOM 488 CE1 PHE A 398 0.545 3.171 2.687 1.00 0.00 C ATOM 489 CE2 PHE A 398 1.489 4.898 4.044 1.00 0.00 C ATOM 490 CZ PHE A 398 0.700 3.771 3.922 1.00 0.00 C ATOM 0 H PHE A 398 3.746 2.682 0.813 1.00 0.00 H new ATOM 0 HA PHE A 398 4.266 5.000 -0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 398 2.922 6.440 0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 398 1.963 5.403 -0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 398 1.055 3.225 0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 398 2.738 6.303 3.035 1.00 0.00 H new ATOM 0 HE1 PHE A 398 -0.071 2.290 2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 398 1.612 5.370 5.008 1.00 0.00 H new ATOM 0 HZ PHE A 398 0.205 3.360 4.790 1.00 0.00 H new ATOM 500 N ASN A 399 6.219 5.210 0.608 1.00 0.00 N ATOM 501 CA ASN A 399 7.359 5.469 1.480 1.00 0.00 C ATOM 502 C ASN A 399 7.220 6.822 2.169 1.00 0.00 C ATOM 503 O ASN A 399 7.490 7.865 1.573 1.00 0.00 O ATOM 504 CB ASN A 399 8.661 5.424 0.677 1.00 0.00 C ATOM 505 CG ASN A 399 8.607 6.299 -0.559 1.00 0.00 C ATOM 506 OD1 ASN A 399 7.847 6.031 -1.491 1.00 0.00 O ATOM 507 ND2 ASN A 399 9.415 7.351 -0.576 1.00 0.00 N ATOM 0 H ASN A 399 6.419 5.303 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 399 7.384 4.693 2.245 1.00 0.00 H new ATOM 0 HB2 ASN A 399 9.487 5.746 1.311 1.00 0.00 H new ATOM 0 HB3 ASN A 399 8.868 4.395 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 399 9.423 7.975 -1.383 1.00 0.00 H new ATOM 0 HD22 ASN A 399 10.028 7.536 0.218 1.00 0.00 H new ATOM 514 N ARG A 400 6.794 6.798 3.428 1.00 0.00 N ATOM 515 CA ARG A 400 6.618 8.024 4.199 1.00 0.00 C ATOM 516 C ARG A 400 6.917 7.786 5.676 1.00 0.00 C ATOM 517 O ARG A 400 7.915 8.277 6.205 1.00 0.00 O ATOM 518 CB ARG A 400 5.193 8.555 4.031 1.00 0.00 C ATOM 519 CG ARG A 400 5.125 10.059 3.825 1.00 0.00 C ATOM 520 CD ARG A 400 4.127 10.432 2.739 1.00 0.00 C ATOM 521 NE ARG A 400 4.323 11.797 2.260 1.00 0.00 N ATOM 522 CZ ARG A 400 5.382 12.193 1.559 1.00 0.00 C ATOM 523 NH1 ARG A 400 6.346 11.330 1.254 1.00 0.00 N ATOM 524 NH2 ARG A 400 5.482 13.454 1.160 1.00 0.00 N ATOM 0 H ARG A 400 6.564 5.944 3.936 1.00 0.00 H new ATOM 0 HA ARG A 400 7.321 8.767 3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 400 4.727 8.059 3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 400 4.609 8.291 4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 400 4.843 10.542 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 400 6.112 10.435 3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 400 4.224 9.738 1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 400 3.114 10.326 3.126 1.00 0.00 H new ATOM 0 HE ARG A 400 3.605 12.489 2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 400 6.276 10.359 1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 400 7.156 11.639 0.716 1.00 0.00 H new ATOM 0 HH21 ARG A 400 4.746 14.122 1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 400 6.295 13.756 0.623 1.00 0.00 H new ATOM 538 N THR A 401 6.048 7.029 6.336 1.00 0.00 N ATOM 539 CA THR A 401 6.218 6.726 7.751 1.00 0.00 C ATOM 540 C THR A 401 5.558 5.400 8.113 1.00 0.00 C ATOM 541 O THR A 401 4.423 5.132 7.719 1.00 0.00 O ATOM 542 CB THR A 401 5.628 7.838 8.641 1.00 0.00 C ATOM 543 OG1 THR A 401 4.411 8.330 8.067 1.00 0.00 O ATOM 544 CG2 THR A 401 6.617 8.982 8.801 1.00 0.00 C ATOM 0 H THR A 401 5.218 6.614 5.913 1.00 0.00 H new ATOM 0 HA THR A 401 7.291 6.657 7.931 1.00 0.00 H new ATOM 0 HB THR A 401 5.421 7.416 9.624 1.00 0.00 H new ATOM 0 HG1 THR A 401 4.041 9.035 8.639 1.00 0.00 H new ATOM 0 HG21 THR A 401 6.180 9.755 9.433 1.00 0.00 H new ATOM 0 HG22 THR A 401 7.532 8.610 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 401 6.849 9.402 7.822 1.00 0.00 H new ATOM 552 N GLN A 402 6.278 4.573 8.863 1.00 0.00 N ATOM 553 CA GLN A 402 5.763 3.272 9.278 1.00 0.00 C ATOM 554 C GLN A 402 4.702 3.429 10.362 1.00 0.00 C ATOM 555 O GLN A 402 4.839 4.255 11.264 1.00 0.00 O ATOM 556 CB GLN A 402 6.904 2.387 9.785 1.00 0.00 C ATOM 557 CG GLN A 402 6.831 0.955 9.282 1.00 0.00 C ATOM 558 CD GLN A 402 6.379 -0.018 10.354 1.00 0.00 C ATOM 559 OE1 GLN A 402 6.976 -0.098 11.428 1.00 0.00 O ATOM 560 NE2 GLN A 402 5.318 -0.764 10.067 1.00 0.00 N ATOM 0 H GLN A 402 7.220 4.780 9.196 1.00 0.00 H new ATOM 0 HA GLN A 402 5.303 2.796 8.412 1.00 0.00 H new ATOM 0 HB2 GLN A 402 7.855 2.823 9.479 1.00 0.00 H new ATOM 0 HB3 GLN A 402 6.892 2.382 10.875 1.00 0.00 H new ATOM 0 HG2 GLN A 402 6.143 0.905 8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 402 7.811 0.653 8.913 1.00 0.00 H new ATOM 0 HE21 GLN A 402 4.854 -0.665 9.164 1.00 0.00 H new ATOM 0 HE22 GLN A 402 4.967 -1.436 10.749 1.00 0.00 H new ATOM 569 N GLY A 403 3.645 2.630 10.269 1.00 0.00 N ATOM 570 CA GLY A 403 2.577 2.695 11.249 1.00 0.00 C ATOM 571 C GLY A 403 1.389 3.503 10.763 1.00 0.00 C ATOM 572 O GLY A 403 0.265 3.305 11.225 1.00 0.00 O ATOM 0 H GLY A 403 3.509 1.938 9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 403 2.249 1.684 11.492 1.00 0.00 H new ATOM 0 HA3 GLY A 403 2.960 3.136 12.170 1.00 0.00 H new ATOM 576 N LEU A 404 1.636 4.416 9.829 1.00 0.00 N ATOM 577 CA LEU A 404 0.577 5.255 9.281 1.00 0.00 C ATOM 578 C LEU A 404 -0.471 4.411 8.562 1.00 0.00 C ATOM 579 O LEU A 404 -1.664 4.715 8.606 1.00 0.00 O ATOM 580 CB LEU A 404 1.163 6.289 8.318 1.00 0.00 C ATOM 581 CG LEU A 404 0.216 7.428 7.935 1.00 0.00 C ATOM 582 CD1 LEU A 404 0.335 8.577 8.922 1.00 0.00 C ATOM 583 CD2 LEU A 404 0.506 7.905 6.519 1.00 0.00 C ATOM 0 H LEU A 404 2.560 4.593 9.436 1.00 0.00 H new ATOM 0 HA LEU A 404 0.094 5.773 10.110 1.00 0.00 H new ATOM 0 HB2 LEU A 404 2.058 6.717 8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 404 1.478 5.778 7.408 1.00 0.00 H new ATOM 0 HG LEU A 404 -0.807 7.053 7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 404 -0.346 9.377 8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 404 0.079 8.226 9.922 1.00 0.00 H new ATOM 0 HD13 LEU A 404 1.358 8.953 8.921 1.00 0.00 H new ATOM 0 HD21 LEU A 404 -0.176 8.715 6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 404 1.534 8.263 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 404 0.368 7.079 5.821 1.00 0.00 H new ATOM 595 N LEU A 405 -0.018 3.353 7.899 1.00 0.00 N ATOM 596 CA LEU A 405 -0.916 2.464 7.168 1.00 0.00 C ATOM 597 C LEU A 405 -1.969 1.864 8.097 1.00 0.00 C ATOM 598 O LEU A 405 -3.156 1.848 7.776 1.00 0.00 O ATOM 599 CB LEU A 405 -0.123 1.348 6.489 1.00 0.00 C ATOM 600 CG LEU A 405 -0.917 0.504 5.490 1.00 0.00 C ATOM 601 CD1 LEU A 405 0.000 -0.044 4.408 1.00 0.00 C ATOM 602 CD2 LEU A 405 -1.638 -0.629 6.206 1.00 0.00 C ATOM 0 H LEU A 405 0.966 3.089 7.852 1.00 0.00 H new ATOM 0 HA LEU A 405 -1.426 3.054 6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 405 0.728 1.791 5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 405 0.280 0.689 7.259 1.00 0.00 H new ATOM 0 HG LEU A 405 -1.664 1.141 5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 405 -0.582 -0.642 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 405 0.471 0.783 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 405 0.769 -0.667 4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 405 -2.198 -1.220 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 405 -0.908 -1.266 6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 405 -2.325 -0.214 6.944 1.00 0.00 H new ATOM 614 N SER A 406 -1.523 1.372 9.248 1.00 0.00 N ATOM 615 CA SER A 406 -2.425 0.769 10.223 1.00 0.00 C ATOM 616 C SER A 406 -3.492 1.766 10.670 1.00 0.00 C ATOM 617 O SER A 406 -4.601 1.379 11.036 1.00 0.00 O ATOM 618 CB SER A 406 -1.638 0.267 11.436 1.00 0.00 C ATOM 619 OG SER A 406 -0.390 0.928 11.543 1.00 0.00 O ATOM 0 H SER A 406 -0.542 1.379 9.529 1.00 0.00 H new ATOM 0 HA SER A 406 -2.922 -0.076 9.746 1.00 0.00 H new ATOM 0 HB2 SER A 406 -2.219 0.431 12.344 1.00 0.00 H new ATOM 0 HB3 SER A 406 -1.478 -0.808 11.350 1.00 0.00 H new ATOM 0 HG SER A 406 -0.534 1.857 11.821 1.00 0.00 H new ATOM 625 N GLU A 407 -3.149 3.050 10.639 1.00 0.00 N ATOM 626 CA GLU A 407 -4.077 4.099 11.043 1.00 0.00 C ATOM 627 C GLU A 407 -5.085 4.391 9.934 1.00 0.00 C ATOM 628 O GLU A 407 -6.273 4.576 10.197 1.00 0.00 O ATOM 629 CB GLU A 407 -3.313 5.374 11.402 1.00 0.00 C ATOM 630 CG GLU A 407 -4.177 6.434 12.066 1.00 0.00 C ATOM 631 CD GLU A 407 -3.719 7.844 11.748 1.00 0.00 C ATOM 632 OE1 GLU A 407 -3.346 8.098 10.583 1.00 0.00 O ATOM 633 OE2 GLU A 407 -3.732 8.693 12.662 1.00 0.00 O ATOM 0 H GLU A 407 -2.235 3.388 10.338 1.00 0.00 H new ATOM 0 HA GLU A 407 -4.621 3.750 11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -2.489 5.119 12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -2.873 5.791 10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -5.210 6.310 11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -4.161 6.286 13.146 1.00 0.00 H new ATOM 640 N ILE A 408 -4.602 4.430 8.697 1.00 0.00 N ATOM 641 CA ILE A 408 -5.461 4.700 7.551 1.00 0.00 C ATOM 642 C ILE A 408 -6.474 3.577 7.348 1.00 0.00 C ATOM 643 O ILE A 408 -7.632 3.827 7.008 1.00 0.00 O ATOM 644 CB ILE A 408 -4.637 4.876 6.260 1.00 0.00 C ATOM 645 CG1 ILE A 408 -3.555 5.938 6.461 1.00 0.00 C ATOM 646 CG2 ILE A 408 -5.543 5.249 5.094 1.00 0.00 C ATOM 647 CD1 ILE A 408 -2.363 5.769 5.543 1.00 0.00 C ATOM 0 H ILE A 408 -3.621 4.278 8.463 1.00 0.00 H new ATOM 0 HA ILE A 408 -5.990 5.629 7.763 1.00 0.00 H new ATOM 0 HB ILE A 408 -4.152 3.928 6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 408 -3.991 6.924 6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 408 -3.214 5.906 7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 408 -4.944 5.369 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 408 -6.279 4.460 4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 408 -6.055 6.185 5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 408 -1.636 6.557 5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 408 -1.902 4.797 5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 408 -2.691 5.831 4.505 1.00 0.00 H new ATOM 659 N LEU A 409 -6.033 2.341 7.557 1.00 0.00 N ATOM 660 CA LEU A 409 -6.902 1.183 7.397 1.00 0.00 C ATOM 661 C LEU A 409 -7.876 1.065 8.566 1.00 0.00 C ATOM 662 O LEU A 409 -8.994 0.575 8.408 1.00 0.00 O ATOM 663 CB LEU A 409 -6.068 -0.096 7.283 1.00 0.00 C ATOM 664 CG LEU A 409 -5.577 -0.426 5.872 1.00 0.00 C ATOM 665 CD1 LEU A 409 -4.825 -1.747 5.865 1.00 0.00 C ATOM 666 CD2 LEU A 409 -6.746 -0.469 4.899 1.00 0.00 C ATOM 0 H LEU A 409 -5.078 2.116 7.838 1.00 0.00 H new ATOM 0 HA LEU A 409 -7.477 1.317 6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 409 -5.203 -0.007 7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 409 -6.662 -0.933 7.649 1.00 0.00 H new ATOM 0 HG LEU A 409 -4.892 0.359 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 409 -4.483 -1.966 4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 409 -3.965 -1.680 6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 409 -5.486 -2.544 6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 409 -6.379 -0.705 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 409 -7.455 -1.234 5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 409 -7.242 0.501 4.884 1.00 0.00 H new ATOM 678 N ARG A 410 -7.443 1.518 9.738 1.00 0.00 N ATOM 679 CA ARG A 410 -8.276 1.463 10.933 1.00 0.00 C ATOM 680 C ARG A 410 -9.444 2.439 10.827 1.00 0.00 C ATOM 681 O ARG A 410 -10.523 2.192 11.369 1.00 0.00 O ATOM 682 CB ARG A 410 -7.442 1.781 12.177 1.00 0.00 C ATOM 683 CG ARG A 410 -8.225 1.680 13.476 1.00 0.00 C ATOM 684 CD ARG A 410 -7.574 2.494 14.582 1.00 0.00 C ATOM 685 NE ARG A 410 -6.259 1.971 14.944 1.00 0.00 N ATOM 686 CZ ARG A 410 -5.341 2.670 15.610 1.00 0.00 C ATOM 687 NH1 ARG A 410 -5.591 3.916 15.987 1.00 0.00 N ATOM 688 NH2 ARG A 410 -4.170 2.119 15.898 1.00 0.00 N ATOM 0 H ARG A 410 -6.520 1.927 9.885 1.00 0.00 H new ATOM 0 HA ARG A 410 -8.676 0.453 11.021 1.00 0.00 H new ATOM 0 HB2 ARG A 410 -6.594 1.098 12.220 1.00 0.00 H new ATOM 0 HB3 ARG A 410 -7.036 2.788 12.084 1.00 0.00 H new ATOM 0 HG2 ARG A 410 -9.244 2.031 13.316 1.00 0.00 H new ATOM 0 HG3 ARG A 410 -8.292 0.636 13.782 1.00 0.00 H new ATOM 0 HD2 ARG A 410 -7.476 3.531 14.260 1.00 0.00 H new ATOM 0 HD3 ARG A 410 -8.219 2.493 15.461 1.00 0.00 H new ATOM 0 HE ARG A 410 -6.030 1.015 14.671 1.00 0.00 H new ATOM 0 HH11 ARG A 410 -6.490 4.345 15.767 1.00 0.00 H new ATOM 0 HH12 ARG A 410 -4.884 4.446 16.497 1.00 0.00 H new ATOM 0 HH21 ARG A 410 -3.973 1.161 15.610 1.00 0.00 H new ATOM 0 HH22 ARG A 410 -3.467 2.653 16.408 1.00 0.00 H new ATOM 702 N LYS A 411 -9.222 3.548 10.129 1.00 0.00 N ATOM 703 CA LYS A 411 -10.257 4.560 9.954 1.00 0.00 C ATOM 704 C LYS A 411 -11.159 4.218 8.774 1.00 0.00 C ATOM 705 O LYS A 411 -12.385 4.300 8.871 1.00 0.00 O ATOM 706 CB LYS A 411 -9.623 5.936 9.744 1.00 0.00 C ATOM 707 CG LYS A 411 -9.424 6.718 11.034 1.00 0.00 C ATOM 708 CD LYS A 411 -8.440 7.861 10.846 1.00 0.00 C ATOM 709 CE LYS A 411 -8.268 8.662 12.126 1.00 0.00 C ATOM 710 NZ LYS A 411 -7.217 8.082 13.007 1.00 0.00 N ATOM 0 H LYS A 411 -8.335 3.768 9.676 1.00 0.00 H new ATOM 0 HA LYS A 411 -10.865 4.582 10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -8.658 5.811 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -10.252 6.517 9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -10.382 7.113 11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -9.061 6.049 11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -7.475 7.464 10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -8.790 8.517 10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -8.007 9.691 11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -9.215 8.694 12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -7.130 8.657 13.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -7.478 7.109 13.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -6.307 8.074 12.503 1.00 0.00 H new ATOM 724 N GLU A 412 -10.548 3.836 7.658 1.00 0.00 N ATOM 725 CA GLU A 412 -11.296 3.480 6.457 1.00 0.00 C ATOM 726 C GLU A 412 -12.115 4.666 5.957 1.00 0.00 C ATOM 727 O GLU A 412 -13.193 4.493 5.387 1.00 0.00 O ATOM 728 CB GLU A 412 -12.217 2.292 6.738 1.00 0.00 C ATOM 729 CG GLU A 412 -11.541 0.943 6.556 1.00 0.00 C ATOM 730 CD GLU A 412 -12.442 -0.073 5.880 1.00 0.00 C ATOM 731 OE1 GLU A 412 -12.781 0.131 4.696 1.00 0.00 O ATOM 732 OE2 GLU A 412 -12.806 -1.074 6.534 1.00 0.00 O ATOM 0 H GLU A 412 -9.535 3.765 7.560 1.00 0.00 H new ATOM 0 HA GLU A 412 -10.582 3.201 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 412 -12.592 2.367 7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 412 -13.081 2.348 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 412 -10.635 1.071 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 412 -11.234 0.560 7.529 1.00 0.00 H new ATOM 739 N GLU A 413 -11.596 5.871 6.172 1.00 0.00 N ATOM 740 CA GLU A 413 -12.279 7.085 5.742 1.00 0.00 C ATOM 741 C GLU A 413 -12.304 7.186 4.221 1.00 0.00 C ATOM 742 O GLU A 413 -11.637 6.417 3.527 1.00 0.00 O ATOM 743 CB GLU A 413 -11.593 8.318 6.335 1.00 0.00 C ATOM 744 CG GLU A 413 -10.136 8.459 5.928 1.00 0.00 C ATOM 745 CD GLU A 413 -9.449 9.622 6.615 1.00 0.00 C ATOM 746 OE1 GLU A 413 -10.148 10.586 6.993 1.00 0.00 O ATOM 747 OE2 GLU A 413 -8.211 9.572 6.774 1.00 0.00 O ATOM 0 H GLU A 413 -10.705 6.032 6.641 1.00 0.00 H new ATOM 0 HA GLU A 413 -13.307 7.040 6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -12.136 9.210 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -11.655 8.270 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -9.605 7.537 6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -10.076 8.593 4.848 1.00 0.00 H new ATOM 754 N ASP A 414 -13.075 8.138 3.708 1.00 0.00 N ATOM 755 CA ASP A 414 -13.186 8.337 2.267 1.00 0.00 C ATOM 756 C ASP A 414 -12.304 9.499 1.809 1.00 0.00 C ATOM 757 O ASP A 414 -12.351 10.586 2.387 1.00 0.00 O ATOM 758 CB ASP A 414 -14.642 8.603 1.881 1.00 0.00 C ATOM 759 CG ASP A 414 -15.052 7.857 0.626 1.00 0.00 C ATOM 760 OD1 ASP A 414 -14.468 8.129 -0.444 1.00 0.00 O ATOM 761 OD2 ASP A 414 -15.958 7.002 0.713 1.00 0.00 O ATOM 0 H ASP A 414 -13.632 8.784 4.267 1.00 0.00 H new ATOM 0 HA ASP A 414 -12.845 7.428 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -15.293 8.309 2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -14.785 9.673 1.728 1.00 0.00 H new ATOM 766 N PRO A 415 -11.485 9.290 0.761 1.00 0.00 N ATOM 767 CA PRO A 415 -10.597 10.332 0.236 1.00 0.00 C ATOM 768 C PRO A 415 -11.342 11.626 -0.077 1.00 0.00 C ATOM 769 O PRO A 415 -10.757 12.710 -0.066 1.00 0.00 O ATOM 770 CB PRO A 415 -10.039 9.716 -1.049 1.00 0.00 C ATOM 771 CG PRO A 415 -10.136 8.244 -0.835 1.00 0.00 C ATOM 772 CD PRO A 415 -11.361 8.028 0.007 1.00 0.00 C ATOM 0 HA PRO A 415 -9.830 10.611 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 415 -10.614 10.028 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 415 -9.008 10.024 -1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 415 -10.218 7.716 -1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 415 -9.246 7.863 -0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 415 -12.242 7.838 -0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 415 -11.246 7.172 0.672 1.00 0.00 H new ATOM 780 N LYS A 416 -12.635 11.507 -0.358 1.00 0.00 N ATOM 781 CA LYS A 416 -13.462 12.666 -0.676 1.00 0.00 C ATOM 782 C LYS A 416 -13.442 13.681 0.463 1.00 0.00 C ATOM 783 O LYS A 416 -13.510 14.888 0.233 1.00 0.00 O ATOM 784 CB LYS A 416 -14.901 12.232 -0.961 1.00 0.00 C ATOM 785 CG LYS A 416 -15.012 11.166 -2.038 1.00 0.00 C ATOM 786 CD LYS A 416 -16.460 10.783 -2.297 1.00 0.00 C ATOM 787 CE LYS A 416 -17.095 10.148 -1.071 1.00 0.00 C ATOM 788 NZ LYS A 416 -17.864 11.137 -0.266 1.00 0.00 N ATOM 0 H LYS A 416 -13.134 10.618 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 416 -13.049 13.139 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -15.347 11.855 -0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -15.482 13.104 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -14.561 11.531 -2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -14.449 10.283 -1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -17.026 11.669 -2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -16.509 10.088 -3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -17.758 9.341 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -16.318 9.701 -0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -17.694 10.968 0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -17.557 12.099 -0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -18.879 11.035 -0.468 1.00 0.00 H new ATOM 802 N THR A 417 -13.351 13.182 1.692 1.00 0.00 N ATOM 803 CA THR A 417 -13.325 14.047 2.866 1.00 0.00 C ATOM 804 C THR A 417 -11.957 14.021 3.546 1.00 0.00 C ATOM 805 O THR A 417 -11.619 14.926 4.310 1.00 0.00 O ATOM 806 CB THR A 417 -14.401 13.636 3.890 1.00 0.00 C ATOM 807 OG1 THR A 417 -14.386 14.537 5.004 1.00 0.00 O ATOM 808 CG2 THR A 417 -14.174 12.214 4.378 1.00 0.00 C ATOM 0 H THR A 417 -13.294 12.185 1.900 1.00 0.00 H new ATOM 0 HA THR A 417 -13.532 15.058 2.515 1.00 0.00 H new ATOM 0 HB THR A 417 -15.373 13.681 3.398 1.00 0.00 H new ATOM 0 HG1 THR A 417 -15.073 14.270 5.650 1.00 0.00 H new ATOM 0 HG21 THR A 417 -14.947 11.949 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 417 -14.217 11.528 3.532 1.00 0.00 H new ATOM 0 HG23 THR A 417 -13.195 12.144 4.853 1.00 0.00 H new ATOM 816 N ALA A 418 -11.175 12.982 3.268 1.00 0.00 N ATOM 817 CA ALA A 418 -9.847 12.843 3.856 1.00 0.00 C ATOM 818 C ALA A 418 -9.000 14.087 3.612 1.00 0.00 C ATOM 819 O ALA A 418 -9.403 14.993 2.883 1.00 0.00 O ATOM 820 CB ALA A 418 -9.150 11.611 3.299 1.00 0.00 C ATOM 0 H ALA A 418 -11.438 12.224 2.639 1.00 0.00 H new ATOM 0 HA ALA A 418 -9.967 12.726 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 418 -8.160 11.520 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 418 -9.738 10.723 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 418 -9.052 11.706 2.218 1.00 0.00 H new ATOM 826 N SER A 419 -7.822 14.125 4.228 1.00 0.00 N ATOM 827 CA SER A 419 -6.916 15.259 4.080 1.00 0.00 C ATOM 828 C SER A 419 -6.120 15.154 2.783 1.00 0.00 C ATOM 829 O SER A 419 -6.286 14.207 2.015 1.00 0.00 O ATOM 830 CB SER A 419 -5.960 15.332 5.272 1.00 0.00 C ATOM 831 OG SER A 419 -6.674 15.489 6.488 1.00 0.00 O ATOM 0 H SER A 419 -7.473 13.383 4.835 1.00 0.00 H new ATOM 0 HA SER A 419 -7.515 16.169 4.045 1.00 0.00 H new ATOM 0 HB2 SER A 419 -5.357 14.425 5.315 1.00 0.00 H new ATOM 0 HB3 SER A 419 -5.272 16.167 5.140 1.00 0.00 H new ATOM 0 HG SER A 419 -6.042 15.531 7.236 1.00 0.00 H new ATOM 837 N GLN A 420 -5.256 16.136 2.546 1.00 0.00 N ATOM 838 CA GLN A 420 -4.433 16.157 1.342 1.00 0.00 C ATOM 839 C GLN A 420 -3.331 15.104 1.419 1.00 0.00 C ATOM 840 O GLN A 420 -2.986 14.479 0.416 1.00 0.00 O ATOM 841 CB GLN A 420 -3.817 17.543 1.144 1.00 0.00 C ATOM 842 CG GLN A 420 -3.803 18.000 -0.306 1.00 0.00 C ATOM 843 CD GLN A 420 -5.055 18.767 -0.686 1.00 0.00 C ATOM 844 OE1 GLN A 420 -6.030 18.189 -1.165 1.00 0.00 O ATOM 845 NE2 GLN A 420 -5.032 20.078 -0.476 1.00 0.00 N ATOM 0 H GLN A 420 -5.108 16.928 3.172 1.00 0.00 H new ATOM 0 HA GLN A 420 -5.073 15.927 0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 420 -4.373 18.267 1.739 1.00 0.00 H new ATOM 0 HB3 GLN A 420 -2.795 17.535 1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 420 -2.930 18.629 -0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 420 -3.702 17.131 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 420 -4.202 20.516 -0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 420 -5.844 20.647 -0.714 1.00 0.00 H new ATOM 854 N SER A 421 -2.784 14.912 2.615 1.00 0.00 N ATOM 855 CA SER A 421 -1.721 13.934 2.822 1.00 0.00 C ATOM 856 C SER A 421 -2.185 12.535 2.428 1.00 0.00 C ATOM 857 O SER A 421 -1.475 11.807 1.737 1.00 0.00 O ATOM 858 CB SER A 421 -1.270 13.942 4.283 1.00 0.00 C ATOM 859 OG SER A 421 -2.320 14.352 5.140 1.00 0.00 O ATOM 0 H SER A 421 -3.059 15.420 3.456 1.00 0.00 H new ATOM 0 HA SER A 421 -0.879 14.210 2.188 1.00 0.00 H new ATOM 0 HB2 SER A 421 -0.933 12.945 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 421 -0.419 14.612 4.400 1.00 0.00 H new ATOM 0 HG SER A 421 -2.271 15.321 5.276 1.00 0.00 H new ATOM 865 N LEU A 422 -3.383 12.166 2.874 1.00 0.00 N ATOM 866 CA LEU A 422 -3.940 10.855 2.567 1.00 0.00 C ATOM 867 C LEU A 422 -4.125 10.683 1.063 1.00 0.00 C ATOM 868 O LEU A 422 -3.868 9.611 0.514 1.00 0.00 O ATOM 869 CB LEU A 422 -5.279 10.665 3.283 1.00 0.00 C ATOM 870 CG LEU A 422 -5.730 9.210 3.436 1.00 0.00 C ATOM 871 CD1 LEU A 422 -5.236 8.636 4.755 1.00 0.00 C ATOM 872 CD2 LEU A 422 -7.245 9.109 3.342 1.00 0.00 C ATOM 0 H LEU A 422 -3.985 12.757 3.448 1.00 0.00 H new ATOM 0 HA LEU A 422 -3.239 10.098 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.211 11.115 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -6.047 11.212 2.736 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.296 8.627 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -5.565 7.601 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -4.147 8.674 4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -5.641 9.221 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -7.548 8.068 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -7.699 9.705 4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -7.575 9.482 2.372 1.00 0.00 H new ATOM 884 N LEU A 423 -4.571 11.746 0.402 1.00 0.00 N ATOM 885 CA LEU A 423 -4.790 11.714 -1.040 1.00 0.00 C ATOM 886 C LEU A 423 -3.498 11.373 -1.775 1.00 0.00 C ATOM 887 O LEU A 423 -3.520 10.730 -2.824 1.00 0.00 O ATOM 888 CB LEU A 423 -5.328 13.062 -1.524 1.00 0.00 C ATOM 889 CG LEU A 423 -6.770 13.368 -1.116 1.00 0.00 C ATOM 890 CD1 LEU A 423 -6.988 14.869 -1.013 1.00 0.00 C ATOM 891 CD2 LEU A 423 -7.747 12.752 -2.107 1.00 0.00 C ATOM 0 H LEU A 423 -4.788 12.640 0.842 1.00 0.00 H new ATOM 0 HA LEU A 423 -5.526 10.940 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 423 -4.683 13.852 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 423 -5.260 13.094 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 423 -6.951 12.927 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 423 -8.019 15.068 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 423 -6.313 15.284 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 423 -6.788 15.333 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 423 -8.768 12.980 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 423 -7.566 13.163 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 423 -7.608 11.671 -2.131 1.00 0.00 H new ATOM 903 N VAL A 424 -2.374 11.811 -1.217 1.00 0.00 N ATOM 904 CA VAL A 424 -1.071 11.551 -1.817 1.00 0.00 C ATOM 905 C VAL A 424 -0.617 10.121 -1.542 1.00 0.00 C ATOM 906 O VAL A 424 0.031 9.493 -2.380 1.00 0.00 O ATOM 907 CB VAL A 424 -0.005 12.528 -1.290 1.00 0.00 C ATOM 908 CG1 VAL A 424 1.298 12.364 -2.057 1.00 0.00 C ATOM 909 CG2 VAL A 424 -0.506 13.962 -1.375 1.00 0.00 C ATOM 0 H VAL A 424 -2.340 12.348 -0.350 1.00 0.00 H new ATOM 0 HA VAL A 424 -1.182 11.694 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 424 0.187 12.296 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 424 2.039 13.063 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 424 1.664 11.344 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 424 1.126 12.567 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 424 0.261 14.638 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 424 -0.729 14.209 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 424 -1.410 14.068 -0.775 1.00 0.00 H new ATOM 919 N ASN A 425 -0.962 9.614 -0.363 1.00 0.00 N ATOM 920 CA ASN A 425 -0.591 8.258 0.022 1.00 0.00 C ATOM 921 C ASN A 425 -1.408 7.229 -0.753 1.00 0.00 C ATOM 922 O ASN A 425 -0.861 6.267 -1.292 1.00 0.00 O ATOM 923 CB ASN A 425 -0.794 8.059 1.526 1.00 0.00 C ATOM 924 CG ASN A 425 0.323 8.675 2.347 1.00 0.00 C ATOM 925 OD1 ASN A 425 0.417 9.998 2.320 1.00 0.00 O flip ATOM 926 ND2 ASN A 425 1.092 7.967 2.997 1.00 0.00 N flip ATOM 0 H ASN A 425 -1.497 10.121 0.341 1.00 0.00 H new ATOM 0 HA ASN A 425 0.462 8.114 -0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -1.745 8.500 1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -0.856 6.993 1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 425 0.982 6.953 2.988 1.00 0.00 H new ATOM 0 HD22 ASN A 425 1.839 8.394 3.544 1.00 0.00 H new ATOM 933 N LEU A 426 -2.719 7.441 -0.808 1.00 0.00 N ATOM 934 CA LEU A 426 -3.611 6.534 -1.519 1.00 0.00 C ATOM 935 C LEU A 426 -3.259 6.481 -3.003 1.00 0.00 C ATOM 936 O LEU A 426 -3.377 5.435 -3.642 1.00 0.00 O ATOM 937 CB LEU A 426 -5.066 6.970 -1.343 1.00 0.00 C ATOM 938 CG LEU A 426 -5.582 6.941 0.096 1.00 0.00 C ATOM 939 CD1 LEU A 426 -6.805 7.833 0.244 1.00 0.00 C ATOM 940 CD2 LEU A 426 -5.905 5.515 0.516 1.00 0.00 C ATOM 0 H LEU A 426 -3.187 8.234 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 426 -3.487 5.537 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 426 -5.175 7.983 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 426 -5.699 6.325 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 426 -4.799 7.324 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 426 -7.157 7.799 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 426 -6.541 8.858 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 426 -7.594 7.482 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 426 -6.271 5.512 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 426 -6.671 5.106 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 426 -5.005 4.904 0.450 1.00 0.00 H new ATOM 952 N ARG A 427 -2.827 7.616 -3.543 1.00 0.00 N ATOM 953 CA ARG A 427 -2.457 7.699 -4.952 1.00 0.00 C ATOM 954 C ARG A 427 -1.314 6.740 -5.269 1.00 0.00 C ATOM 955 O ARG A 427 -1.368 5.997 -6.248 1.00 0.00 O ATOM 956 CB ARG A 427 -2.055 9.131 -5.312 1.00 0.00 C ATOM 957 CG ARG A 427 -3.136 9.896 -6.058 1.00 0.00 C ATOM 958 CD ARG A 427 -2.744 11.350 -6.275 1.00 0.00 C ATOM 959 NE ARG A 427 -3.054 11.805 -7.628 1.00 0.00 N ATOM 960 CZ ARG A 427 -2.748 13.016 -8.090 1.00 0.00 C ATOM 961 NH1 ARG A 427 -2.129 13.894 -7.312 1.00 0.00 N ATOM 962 NH2 ARG A 427 -3.066 13.348 -9.334 1.00 0.00 N ATOM 0 H ARG A 427 -2.724 8.490 -3.027 1.00 0.00 H new ATOM 0 HA ARG A 427 -3.323 7.413 -5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 427 -1.805 9.670 -4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 427 -1.153 9.104 -5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 427 -3.320 9.420 -7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 427 -4.069 9.850 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 427 -3.266 11.978 -5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 427 -1.677 11.469 -6.088 1.00 0.00 H new ATOM 0 HE ARG A 427 -3.532 11.158 -8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 427 -1.885 13.643 -6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 427 -1.897 14.820 -7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 427 -3.544 12.676 -9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 427 -2.833 14.275 -9.690 1.00 0.00 H new ATOM 976 N ALA A 428 -0.281 6.760 -4.432 1.00 0.00 N ATOM 977 CA ALA A 428 0.873 5.891 -4.623 1.00 0.00 C ATOM 978 C ALA A 428 0.475 4.424 -4.517 1.00 0.00 C ATOM 979 O ALA A 428 0.991 3.576 -5.247 1.00 0.00 O ATOM 980 CB ALA A 428 1.956 6.222 -3.606 1.00 0.00 C ATOM 0 H ALA A 428 -0.220 7.369 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 428 1.267 6.063 -5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.812 5.566 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 428 2.267 7.259 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 428 1.565 6.079 -2.599 1.00 0.00 H new ATOM 986 N MET A 429 -0.445 4.129 -3.605 1.00 0.00 N ATOM 987 CA MET A 429 -0.914 2.764 -3.404 1.00 0.00 C ATOM 988 C MET A 429 -1.643 2.254 -4.642 1.00 0.00 C ATOM 989 O MET A 429 -1.552 1.076 -4.987 1.00 0.00 O ATOM 990 CB MET A 429 -1.838 2.692 -2.187 1.00 0.00 C ATOM 991 CG MET A 429 -1.102 2.787 -0.859 1.00 0.00 C ATOM 992 SD MET A 429 -1.917 3.890 0.312 1.00 0.00 S ATOM 993 CE MET A 429 -2.618 2.707 1.461 1.00 0.00 C ATOM 0 H MET A 429 -0.881 4.818 -2.993 1.00 0.00 H new ATOM 0 HA MET A 429 -0.045 2.130 -3.228 1.00 0.00 H new ATOM 0 HB2 MET A 429 -2.568 3.499 -2.247 1.00 0.00 H new ATOM 0 HB3 MET A 429 -2.395 1.755 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 429 -1.023 1.792 -0.420 1.00 0.00 H new ATOM 0 HG3 MET A 429 -0.086 3.139 -1.036 1.00 0.00 H new ATOM 0 HE1 MET A 429 -2.838 3.204 2.406 1.00 0.00 H new ATOM 0 HE2 MET A 429 -3.538 2.296 1.044 1.00 0.00 H new ATOM 0 HE3 MET A 429 -1.905 1.900 1.633 1.00 0.00 H new ATOM 1003 N GLN A 430 -2.366 3.149 -5.307 1.00 0.00 N ATOM 1004 CA GLN A 430 -3.112 2.791 -6.508 1.00 0.00 C ATOM 1005 C GLN A 430 -2.167 2.331 -7.615 1.00 0.00 C ATOM 1006 O GLN A 430 -2.408 1.316 -8.268 1.00 0.00 O ATOM 1007 CB GLN A 430 -3.941 3.981 -6.992 1.00 0.00 C ATOM 1008 CG GLN A 430 -5.172 3.579 -7.789 1.00 0.00 C ATOM 1009 CD GLN A 430 -5.800 4.749 -8.522 1.00 0.00 C ATOM 1010 OE1 GLN A 430 -5.162 5.382 -9.364 1.00 0.00 O ATOM 1011 NE2 GLN A 430 -7.055 5.041 -8.204 1.00 0.00 N ATOM 0 H GLN A 430 -2.451 4.128 -5.034 1.00 0.00 H new ATOM 0 HA GLN A 430 -3.782 1.968 -6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 430 -4.253 4.571 -6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 430 -3.313 4.624 -7.608 1.00 0.00 H new ATOM 0 HG2 GLN A 430 -4.898 2.808 -8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 430 -5.908 3.139 -7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 430 -7.544 4.489 -7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 430 -7.530 5.818 -8.664 1.00 0.00 H new ATOM 1020 N ASN A 431 -1.091 3.084 -7.818 1.00 0.00 N ATOM 1021 CA ASN A 431 -0.111 2.753 -8.844 1.00 0.00 C ATOM 1022 C ASN A 431 0.534 1.400 -8.561 1.00 0.00 C ATOM 1023 O ASN A 431 0.718 0.587 -9.468 1.00 0.00 O ATOM 1024 CB ASN A 431 0.966 3.838 -8.920 1.00 0.00 C ATOM 1025 CG ASN A 431 0.662 4.883 -9.974 1.00 0.00 C ATOM 1026 OD1 ASN A 431 0.991 4.712 -11.147 1.00 0.00 O ATOM 1027 ND2 ASN A 431 0.028 5.975 -9.560 1.00 0.00 N ATOM 0 H ASN A 431 -0.876 3.927 -7.285 1.00 0.00 H new ATOM 0 HA ASN A 431 -0.628 2.697 -9.802 1.00 0.00 H new ATOM 0 HB2 ASN A 431 1.058 4.323 -7.948 1.00 0.00 H new ATOM 0 HB3 ASN A 431 1.929 3.376 -9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 431 -0.205 6.713 -10.225 1.00 0.00 H new ATOM 0 HD22 ASN A 431 -0.226 6.075 -8.577 1.00 0.00 H new ATOM 1034 N PHE A 432 0.874 1.165 -7.298 1.00 0.00 N ATOM 1035 CA PHE A 432 1.497 -0.091 -6.894 1.00 0.00 C ATOM 1036 C PHE A 432 0.555 -1.266 -7.140 1.00 0.00 C ATOM 1037 O PHE A 432 0.967 -2.311 -7.644 1.00 0.00 O ATOM 1038 CB PHE A 432 1.890 -0.036 -5.417 1.00 0.00 C ATOM 1039 CG PHE A 432 2.571 -1.283 -4.930 1.00 0.00 C ATOM 1040 CD1 PHE A 432 3.838 -1.618 -5.380 1.00 0.00 C ATOM 1041 CD2 PHE A 432 1.945 -2.120 -4.020 1.00 0.00 C ATOM 1042 CE1 PHE A 432 4.467 -2.763 -4.932 1.00 0.00 C ATOM 1043 CE2 PHE A 432 2.568 -3.267 -3.570 1.00 0.00 C ATOM 1044 CZ PHE A 432 3.831 -3.591 -4.026 1.00 0.00 C ATOM 0 H PHE A 432 0.729 1.828 -6.536 1.00 0.00 H new ATOM 0 HA PHE A 432 2.394 -0.236 -7.495 1.00 0.00 H new ATOM 0 HB2 PHE A 432 2.551 0.815 -5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 432 0.996 0.138 -4.818 1.00 0.00 H new ATOM 0 HD1 PHE A 432 4.339 -0.976 -6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 432 0.958 -1.872 -3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 432 5.455 -3.011 -5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 432 2.068 -3.911 -2.862 1.00 0.00 H new ATOM 0 HZ PHE A 432 4.320 -4.488 -3.676 1.00 0.00 H new ATOM 1054 N LEU A 433 -0.711 -1.088 -6.778 1.00 0.00 N ATOM 1055 CA LEU A 433 -1.713 -2.133 -6.960 1.00 0.00 C ATOM 1056 C LEU A 433 -2.059 -2.309 -8.435 1.00 0.00 C ATOM 1057 O LEU A 433 -2.486 -3.383 -8.858 1.00 0.00 O ATOM 1058 CB LEU A 433 -2.977 -1.800 -6.163 1.00 0.00 C ATOM 1059 CG LEU A 433 -2.875 -2.046 -4.656 1.00 0.00 C ATOM 1060 CD1 LEU A 433 -3.918 -1.226 -3.912 1.00 0.00 C ATOM 1061 CD2 LEU A 433 -3.034 -3.528 -4.345 1.00 0.00 C ATOM 0 H LEU A 433 -1.068 -0.230 -6.357 1.00 0.00 H new ATOM 0 HA LEU A 433 -1.294 -3.070 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -3.227 -0.752 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -3.803 -2.391 -6.557 1.00 0.00 H new ATOM 0 HG LEU A 433 -1.887 -1.731 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 433 -3.832 -1.413 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 433 -3.757 -0.166 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 433 -4.914 -1.511 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 433 -2.959 -3.684 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -4.008 -3.871 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -2.249 -4.092 -4.849 1.00 0.00 H new ATOM 1073 N GLN A 434 -1.874 -1.247 -9.215 1.00 0.00 N ATOM 1074 CA GLN A 434 -2.168 -1.288 -10.643 1.00 0.00 C ATOM 1075 C GLN A 434 -1.166 -2.170 -11.381 1.00 0.00 C ATOM 1076 O GLN A 434 -1.491 -2.767 -12.408 1.00 0.00 O ATOM 1077 CB GLN A 434 -2.148 0.125 -11.228 1.00 0.00 C ATOM 1078 CG GLN A 434 -3.496 0.827 -11.174 1.00 0.00 C ATOM 1079 CD GLN A 434 -3.646 1.886 -12.247 1.00 0.00 C ATOM 1080 OE1 GLN A 434 -4.522 1.797 -13.105 1.00 0.00 O ATOM 1081 NE2 GLN A 434 -2.786 2.897 -12.202 1.00 0.00 N ATOM 0 H GLN A 434 -1.522 -0.349 -8.882 1.00 0.00 H new ATOM 0 HA GLN A 434 -3.163 -1.715 -10.772 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -1.415 0.723 -10.686 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -1.815 0.075 -12.265 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -4.290 0.089 -11.284 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -3.622 1.288 -10.194 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -2.075 2.930 -11.471 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -2.837 3.641 -12.898 1.00 0.00 H new ATOM 1090 N LEU A 435 0.051 -2.245 -10.854 1.00 0.00 N ATOM 1091 CA LEU A 435 1.101 -3.054 -11.465 1.00 0.00 C ATOM 1092 C LEU A 435 0.679 -4.519 -11.556 1.00 0.00 C ATOM 1093 O LEU A 435 -0.156 -4.983 -10.779 1.00 0.00 O ATOM 1094 CB LEU A 435 2.397 -2.934 -10.662 1.00 0.00 C ATOM 1095 CG LEU A 435 2.996 -1.529 -10.606 1.00 0.00 C ATOM 1096 CD1 LEU A 435 4.064 -1.445 -9.527 1.00 0.00 C ATOM 1097 CD2 LEU A 435 3.570 -1.141 -11.960 1.00 0.00 C ATOM 0 H LEU A 435 0.336 -1.756 -10.005 1.00 0.00 H new ATOM 0 HA LEU A 435 1.270 -2.681 -12.475 1.00 0.00 H new ATOM 0 HB2 LEU A 435 2.208 -3.273 -9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 435 3.136 -3.611 -11.091 1.00 0.00 H new ATOM 0 HG LEU A 435 2.202 -0.826 -10.355 1.00 0.00 H new ATOM 0 HD11 LEU A 435 4.478 -0.437 -9.503 1.00 0.00 H new ATOM 0 HD12 LEU A 435 3.622 -1.679 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 435 4.858 -2.159 -9.745 1.00 0.00 H new ATOM 0 HD21 LEU A 435 3.992 -0.138 -11.902 1.00 0.00 H new ATOM 0 HD22 LEU A 435 4.351 -1.848 -12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 435 2.779 -1.159 -12.709 1.00 0.00 H new ATOM 1109 N PRO A 436 1.254 -5.270 -12.511 1.00 0.00 N ATOM 1110 CA PRO A 436 0.935 -6.690 -12.700 1.00 0.00 C ATOM 1111 C PRO A 436 1.429 -7.552 -11.544 1.00 0.00 C ATOM 1112 O PRO A 436 2.275 -7.129 -10.757 1.00 0.00 O ATOM 1113 CB PRO A 436 1.671 -7.053 -13.992 1.00 0.00 C ATOM 1114 CG PRO A 436 2.783 -6.067 -14.087 1.00 0.00 C ATOM 1115 CD PRO A 436 2.261 -4.796 -13.479 1.00 0.00 C ATOM 0 HA PRO A 436 -0.140 -6.863 -12.745 1.00 0.00 H new ATOM 0 HB2 PRO A 436 2.050 -8.074 -13.958 1.00 0.00 H new ATOM 0 HB3 PRO A 436 1.009 -6.987 -14.856 1.00 0.00 H new ATOM 0 HG2 PRO A 436 3.665 -6.421 -13.554 1.00 0.00 H new ATOM 0 HG3 PRO A 436 3.079 -5.911 -15.124 1.00 0.00 H new ATOM 0 HD2 PRO A 436 3.053 -4.229 -12.990 1.00 0.00 H new ATOM 0 HD3 PRO A 436 1.819 -4.142 -14.231 1.00 0.00 H new ATOM 1123 N GLU A 437 0.893 -8.765 -11.447 1.00 0.00 N ATOM 1124 CA GLU A 437 1.279 -9.689 -10.387 1.00 0.00 C ATOM 1125 C GLU A 437 2.772 -9.995 -10.447 1.00 0.00 C ATOM 1126 O GLU A 437 3.430 -10.134 -9.416 1.00 0.00 O ATOM 1127 CB GLU A 437 0.477 -10.987 -10.496 1.00 0.00 C ATOM 1128 CG GLU A 437 0.207 -11.650 -9.155 1.00 0.00 C ATOM 1129 CD GLU A 437 -1.129 -12.366 -9.116 1.00 0.00 C ATOM 1130 OE1 GLU A 437 -1.457 -13.064 -10.099 1.00 0.00 O ATOM 1131 OE2 GLU A 437 -1.846 -12.229 -8.103 1.00 0.00 O ATOM 0 H GLU A 437 0.190 -9.130 -12.090 1.00 0.00 H new ATOM 0 HA GLU A 437 1.062 -9.214 -9.430 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.474 -10.777 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.017 -11.686 -11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 437 1.003 -12.363 -8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.233 -10.895 -8.369 1.00 0.00 H new ATOM 1138 N ALA A 438 3.302 -10.099 -11.662 1.00 0.00 N ATOM 1139 CA ALA A 438 4.715 -10.388 -11.857 1.00 0.00 C ATOM 1140 C ALA A 438 5.588 -9.278 -11.280 1.00 0.00 C ATOM 1141 O ALA A 438 6.638 -9.541 -10.694 1.00 0.00 O ATOM 1142 CB ALA A 438 5.017 -10.584 -13.334 1.00 0.00 C ATOM 0 H ALA A 438 2.772 -9.987 -12.526 1.00 0.00 H new ATOM 0 HA ALA A 438 4.946 -11.311 -11.325 1.00 0.00 H new ATOM 0 HB1 ALA A 438 6.078 -10.799 -13.463 1.00 0.00 H new ATOM 0 HB2 ALA A 438 4.428 -11.417 -13.718 1.00 0.00 H new ATOM 0 HB3 ALA A 438 4.762 -9.676 -13.881 1.00 0.00 H new ATOM 1148 N GLU A 439 5.144 -8.037 -11.449 1.00 0.00 N ATOM 1149 CA GLU A 439 5.883 -6.885 -10.944 1.00 0.00 C ATOM 1150 C GLU A 439 5.732 -6.762 -9.431 1.00 0.00 C ATOM 1151 O GLU A 439 6.695 -6.473 -8.721 1.00 0.00 O ATOM 1152 CB GLU A 439 5.397 -5.604 -11.623 1.00 0.00 C ATOM 1153 CG GLU A 439 6.082 -5.320 -12.949 1.00 0.00 C ATOM 1154 CD GLU A 439 5.855 -3.901 -13.432 1.00 0.00 C ATOM 1155 OE1 GLU A 439 6.331 -2.962 -12.760 1.00 0.00 O ATOM 1156 OE2 GLU A 439 5.199 -3.728 -14.481 1.00 0.00 O ATOM 0 H GLU A 439 4.276 -7.803 -11.932 1.00 0.00 H new ATOM 0 HA GLU A 439 6.938 -7.032 -11.174 1.00 0.00 H new ATOM 0 HB2 GLU A 439 4.322 -5.675 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 439 5.562 -4.762 -10.951 1.00 0.00 H new ATOM 0 HG2 GLU A 439 7.152 -5.498 -12.846 1.00 0.00 H new ATOM 0 HG3 GLU A 439 5.714 -6.019 -13.700 1.00 0.00 H new ATOM 1163 N ARG A 440 4.515 -6.983 -8.943 1.00 0.00 N ATOM 1164 CA ARG A 440 4.236 -6.897 -7.515 1.00 0.00 C ATOM 1165 C ARG A 440 5.085 -7.895 -6.734 1.00 0.00 C ATOM 1166 O ARG A 440 5.673 -7.555 -5.706 1.00 0.00 O ATOM 1167 CB ARG A 440 2.752 -7.153 -7.247 1.00 0.00 C ATOM 1168 CG ARG A 440 1.875 -5.929 -7.452 1.00 0.00 C ATOM 1169 CD ARG A 440 0.424 -6.219 -7.105 1.00 0.00 C ATOM 1170 NE ARG A 440 -0.139 -7.276 -7.942 1.00 0.00 N ATOM 1171 CZ ARG A 440 -1.231 -7.969 -7.627 1.00 0.00 C ATOM 1172 NH1 ARG A 440 -1.882 -7.719 -6.497 1.00 0.00 N ATOM 1173 NH2 ARG A 440 -1.674 -8.914 -8.443 1.00 0.00 N ATOM 0 H ARG A 440 3.706 -7.223 -9.517 1.00 0.00 H new ATOM 0 HA ARG A 440 4.490 -5.891 -7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 440 2.406 -7.951 -7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 440 2.632 -7.508 -6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 440 2.241 -5.110 -6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 440 1.944 -5.601 -8.489 1.00 0.00 H new ATOM 0 HD2 ARG A 440 0.353 -6.510 -6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -0.166 -5.310 -7.224 1.00 0.00 H new ATOM 0 HE ARG A 440 0.332 -7.496 -8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -1.546 -6.993 -5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -2.718 -8.253 -6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -1.178 -9.111 -9.313 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -2.511 -9.445 -8.202 1.00 0.00 H new ATOM 1187 N ASP A 441 5.144 -9.127 -7.227 1.00 0.00 N ATOM 1188 CA ASP A 441 5.921 -10.175 -6.577 1.00 0.00 C ATOM 1189 C ASP A 441 7.404 -9.819 -6.551 1.00 0.00 C ATOM 1190 O ASP A 441 8.096 -10.074 -5.566 1.00 0.00 O ATOM 1191 CB ASP A 441 5.718 -11.511 -7.295 1.00 0.00 C ATOM 1192 CG ASP A 441 5.754 -12.690 -6.343 1.00 0.00 C ATOM 1193 OD1 ASP A 441 5.200 -12.572 -5.229 1.00 0.00 O ATOM 1194 OD2 ASP A 441 6.337 -13.731 -6.710 1.00 0.00 O ATOM 0 H ASP A 441 4.662 -9.424 -8.076 1.00 0.00 H new ATOM 0 HA ASP A 441 5.570 -10.266 -5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 441 4.761 -11.498 -7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 441 6.492 -11.635 -8.052 1.00 0.00 H new ATOM 1199 N ARG A 442 7.885 -9.228 -7.639 1.00 0.00 N ATOM 1200 CA ARG A 442 9.286 -8.836 -7.741 1.00 0.00 C ATOM 1201 C ARG A 442 9.634 -7.788 -6.688 1.00 0.00 C ATOM 1202 O ARG A 442 10.740 -7.780 -6.148 1.00 0.00 O ATOM 1203 CB ARG A 442 9.586 -8.294 -9.140 1.00 0.00 C ATOM 1204 CG ARG A 442 10.157 -9.337 -10.086 1.00 0.00 C ATOM 1205 CD ARG A 442 11.646 -9.542 -9.855 1.00 0.00 C ATOM 1206 NE ARG A 442 12.151 -10.722 -10.552 1.00 0.00 N ATOM 1207 CZ ARG A 442 13.315 -11.308 -10.272 1.00 0.00 C ATOM 1208 NH1 ARG A 442 14.093 -10.828 -9.311 1.00 0.00 N ATOM 1209 NH2 ARG A 442 13.698 -12.379 -10.955 1.00 0.00 N ATOM 0 H ARG A 442 7.325 -9.010 -8.463 1.00 0.00 H new ATOM 0 HA ARG A 442 9.900 -9.719 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 442 8.669 -7.890 -9.569 1.00 0.00 H new ATOM 0 HB3 ARG A 442 10.290 -7.466 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 442 9.632 -10.282 -9.947 1.00 0.00 H new ATOM 0 HG3 ARG A 442 9.987 -9.027 -11.117 1.00 0.00 H new ATOM 0 HD2 ARG A 442 12.190 -8.660 -10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 442 11.836 -9.643 -8.787 1.00 0.00 H new ATOM 0 HE ARG A 442 11.579 -11.121 -11.297 1.00 0.00 H new ATOM 0 HH11 ARG A 442 13.802 -10.006 -8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 442 14.983 -11.281 -9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 442 13.102 -12.753 -11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 442 14.589 -12.828 -10.742 1.00 0.00 H new ATOM 1223 N ILE A 443 8.681 -6.907 -6.400 1.00 0.00 N ATOM 1224 CA ILE A 443 8.888 -5.856 -5.412 1.00 0.00 C ATOM 1225 C ILE A 443 8.799 -6.411 -3.995 1.00 0.00 C ATOM 1226 O ILE A 443 9.497 -5.950 -3.092 1.00 0.00 O ATOM 1227 CB ILE A 443 7.855 -4.721 -5.573 1.00 0.00 C ATOM 1228 CG1 ILE A 443 7.815 -4.239 -7.025 1.00 0.00 C ATOM 1229 CG2 ILE A 443 8.184 -3.567 -4.637 1.00 0.00 C ATOM 1230 CD1 ILE A 443 6.451 -3.749 -7.461 1.00 0.00 C ATOM 0 H ILE A 443 7.759 -6.901 -6.837 1.00 0.00 H new ATOM 0 HA ILE A 443 9.887 -5.454 -5.581 1.00 0.00 H new ATOM 0 HB ILE A 443 6.870 -5.108 -5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 443 8.539 -3.434 -7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 443 8.126 -5.054 -7.679 1.00 0.00 H new ATOM 0 HG21 ILE A 443 7.446 -2.775 -4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 443 8.166 -3.919 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 443 9.176 -3.180 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 443 6.497 -3.423 -8.500 1.00 0.00 H new ATOM 0 HD12 ILE A 443 5.726 -4.558 -7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 443 6.146 -2.913 -6.831 1.00 0.00 H new ATOM 1242 N TYR A 444 7.935 -7.403 -3.806 1.00 0.00 N ATOM 1243 CA TYR A 444 7.755 -8.022 -2.498 1.00 0.00 C ATOM 1244 C TYR A 444 9.017 -8.765 -2.069 1.00 0.00 C ATOM 1245 O TYR A 444 9.552 -8.527 -0.986 1.00 0.00 O ATOM 1246 CB TYR A 444 6.567 -8.984 -2.525 1.00 0.00 C ATOM 1247 CG TYR A 444 5.224 -8.290 -2.491 1.00 0.00 C ATOM 1248 CD1 TYR A 444 4.985 -7.241 -1.614 1.00 0.00 C ATOM 1249 CD2 TYR A 444 4.195 -8.686 -3.337 1.00 0.00 C ATOM 1250 CE1 TYR A 444 3.758 -6.605 -1.580 1.00 0.00 C ATOM 1251 CE2 TYR A 444 2.966 -8.055 -3.309 1.00 0.00 C ATOM 1252 CZ TYR A 444 2.752 -7.014 -2.429 1.00 0.00 C ATOM 1253 OH TYR A 444 1.531 -6.384 -2.399 1.00 0.00 O ATOM 0 H TYR A 444 7.348 -7.795 -4.542 1.00 0.00 H new ATOM 0 HA TYR A 444 7.557 -7.232 -1.774 1.00 0.00 H new ATOM 0 HB2 TYR A 444 6.627 -9.597 -3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 444 6.639 -9.660 -1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 444 5.770 -6.916 -0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 444 4.359 -9.500 -4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 444 3.588 -5.791 -0.891 1.00 0.00 H new ATOM 0 HE2 TYR A 444 2.177 -8.375 -3.973 1.00 0.00 H new ATOM 0 HH TYR A 444 1.467 -5.833 -1.591 1.00 0.00 H new ATOM 1263 N GLN A 445 9.487 -9.665 -2.926 1.00 0.00 N ATOM 1264 CA GLN A 445 10.686 -10.442 -2.636 1.00 0.00 C ATOM 1265 C GLN A 445 11.895 -9.531 -2.452 1.00 0.00 C ATOM 1266 O GLN A 445 12.751 -9.782 -1.604 1.00 0.00 O ATOM 1267 CB GLN A 445 10.954 -11.445 -3.760 1.00 0.00 C ATOM 1268 CG GLN A 445 12.146 -12.350 -3.496 1.00 0.00 C ATOM 1269 CD GLN A 445 11.841 -13.439 -2.486 1.00 0.00 C ATOM 1270 OE1 GLN A 445 10.699 -13.886 -2.365 1.00 0.00 O ATOM 1271 NE2 GLN A 445 12.860 -13.871 -1.754 1.00 0.00 N ATOM 0 H GLN A 445 9.056 -9.874 -3.827 1.00 0.00 H new ATOM 0 HA GLN A 445 10.519 -10.985 -1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 445 10.066 -12.061 -3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 445 11.121 -10.901 -4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 445 12.464 -12.808 -4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 445 12.981 -11.749 -3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 445 13.789 -13.472 -1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 445 12.714 -14.602 -1.058 1.00 0.00 H new ATOM 1280 N ASP A 446 11.959 -8.473 -3.254 1.00 0.00 N ATOM 1281 CA ASP A 446 13.064 -7.524 -3.179 1.00 0.00 C ATOM 1282 C ASP A 446 12.954 -6.659 -1.927 1.00 0.00 C ATOM 1283 O ASP A 446 12.219 -5.672 -1.905 1.00 0.00 O ATOM 1284 CB ASP A 446 13.086 -6.637 -4.425 1.00 0.00 C ATOM 1285 CG ASP A 446 14.473 -6.106 -4.731 1.00 0.00 C ATOM 1286 OD1 ASP A 446 15.352 -6.915 -5.092 1.00 0.00 O ATOM 1287 OD2 ASP A 446 14.679 -4.879 -4.608 1.00 0.00 O ATOM 0 H ASP A 446 11.260 -8.251 -3.963 1.00 0.00 H new ATOM 0 HA ASP A 446 13.994 -8.090 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 446 12.721 -7.206 -5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 446 12.402 -5.800 -4.284 1.00 0.00 H new ATOM 1292 N GLU A 447 13.688 -7.038 -0.886 1.00 0.00 N ATOM 1293 CA GLU A 447 13.673 -6.297 0.370 1.00 0.00 C ATOM 1294 C GLU A 447 15.090 -5.944 0.812 1.00 0.00 C ATOM 1295 O GLU A 447 16.024 -6.723 0.617 1.00 0.00 O ATOM 1296 CB GLU A 447 12.978 -7.115 1.460 1.00 0.00 C ATOM 1297 CG GLU A 447 12.868 -6.387 2.791 1.00 0.00 C ATOM 1298 CD GLU A 447 11.432 -6.100 3.183 1.00 0.00 C ATOM 1299 OE1 GLU A 447 10.545 -6.897 2.812 1.00 0.00 O ATOM 1300 OE2 GLU A 447 11.195 -5.081 3.864 1.00 0.00 O ATOM 0 H GLU A 447 14.300 -7.854 -0.887 1.00 0.00 H new ATOM 0 HA GLU A 447 13.120 -5.371 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 447 11.978 -7.384 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 447 13.525 -8.046 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 447 13.340 -6.987 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 447 13.419 -5.449 2.734 1.00 0.00 H new ATOM 1307 N ARG A 448 15.243 -4.765 1.406 1.00 0.00 N ATOM 1308 CA ARG A 448 16.546 -4.310 1.874 1.00 0.00 C ATOM 1309 C ARG A 448 16.703 -4.553 3.372 1.00 0.00 C ATOM 1310 O ARG A 448 17.392 -3.806 4.065 1.00 0.00 O ATOM 1311 CB ARG A 448 16.730 -2.823 1.568 1.00 0.00 C ATOM 1312 CG ARG A 448 16.403 -2.451 0.130 1.00 0.00 C ATOM 1313 CD ARG A 448 17.663 -2.231 -0.695 1.00 0.00 C ATOM 1314 NE ARG A 448 17.715 -0.886 -1.265 1.00 0.00 N ATOM 1315 CZ ARG A 448 18.102 0.192 -0.585 1.00 0.00 C ATOM 1316 NH1 ARG A 448 18.471 0.089 0.684 1.00 0.00 N ATOM 1317 NH2 ARG A 448 18.121 1.377 -1.181 1.00 0.00 N ATOM 0 H ARG A 448 14.481 -4.108 1.574 1.00 0.00 H new ATOM 0 HA ARG A 448 17.311 -4.881 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 448 16.096 -2.242 2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 448 17.761 -2.542 1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 448 15.805 -3.241 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 448 15.797 -1.545 0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 448 18.540 -2.394 -0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 448 17.704 -2.967 -1.498 1.00 0.00 H new ATOM 0 HE ARG A 448 17.439 -0.766 -2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 448 18.460 -0.820 1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 448 18.766 0.919 1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 448 17.840 1.461 -2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 448 18.417 2.204 -0.662 1.00 0.00 H new ATOM 1331 N GLU A 449 16.057 -5.605 3.866 1.00 0.00 N ATOM 1332 CA GLU A 449 16.125 -5.949 5.281 1.00 0.00 C ATOM 1333 C GLU A 449 17.201 -6.997 5.536 1.00 0.00 C ATOM 1334 O GLU A 449 18.169 -6.745 6.254 1.00 0.00 O ATOM 1335 CB GLU A 449 14.768 -6.464 5.768 1.00 0.00 C ATOM 1336 CG GLU A 449 14.484 -6.145 7.227 1.00 0.00 C ATOM 1337 CD GLU A 449 13.020 -5.843 7.482 1.00 0.00 C ATOM 1338 OE1 GLU A 449 12.256 -6.792 7.758 1.00 0.00 O ATOM 1339 OE2 GLU A 449 12.637 -4.656 7.406 1.00 0.00 O ATOM 0 H GLU A 449 15.481 -6.234 3.307 1.00 0.00 H new ATOM 0 HA GLU A 449 16.384 -5.047 5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 449 13.981 -6.031 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 449 14.726 -7.544 5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 449 14.791 -6.988 7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 449 15.086 -5.289 7.532 1.00 0.00 H new ATOM 1346 N ARG A 450 17.026 -8.174 4.945 1.00 0.00 N ATOM 1347 CA ARG A 450 17.983 -9.261 5.107 1.00 0.00 C ATOM 1348 C ARG A 450 18.914 -9.352 3.901 1.00 0.00 C ATOM 1349 O ARG A 450 19.365 -10.437 3.532 1.00 0.00 O ATOM 1350 CB ARG A 450 17.250 -10.590 5.303 1.00 0.00 C ATOM 1351 CG ARG A 450 17.886 -11.487 6.353 1.00 0.00 C ATOM 1352 CD ARG A 450 16.926 -11.782 7.495 1.00 0.00 C ATOM 1353 NE ARG A 450 16.959 -10.739 8.519 1.00 0.00 N ATOM 1354 CZ ARG A 450 15.998 -10.559 9.423 1.00 0.00 C ATOM 1355 NH1 ARG A 450 14.930 -11.346 9.434 1.00 0.00 N ATOM 1356 NH2 ARG A 450 16.107 -9.587 10.319 1.00 0.00 N ATOM 0 H ARG A 450 16.229 -8.399 4.349 1.00 0.00 H new ATOM 0 HA ARG A 450 18.585 -9.053 5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 450 16.218 -10.387 5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 450 17.220 -11.122 4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 450 18.200 -12.423 5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 450 18.783 -11.008 6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 450 15.913 -11.874 7.103 1.00 0.00 H new ATOM 0 HD3 ARG A 450 17.182 -12.741 7.945 1.00 0.00 H new ATOM 0 HE ARG A 450 17.764 -10.113 8.542 1.00 0.00 H new ATOM 0 HH11 ARG A 450 14.841 -12.095 8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 450 14.198 -11.202 10.129 1.00 0.00 H new ATOM 0 HH21 ARG A 450 16.926 -8.979 10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 450 15.372 -9.448 11.012 1.00 0.00 H new ATOM 1370 N SER A 451 19.197 -8.205 3.291 1.00 0.00 N ATOM 1371 CA SER A 451 20.072 -8.154 2.126 1.00 0.00 C ATOM 1372 C SER A 451 21.530 -8.347 2.534 1.00 0.00 C ATOM 1373 O SER A 451 22.132 -7.471 3.157 1.00 0.00 O ATOM 1374 CB SER A 451 19.906 -6.821 1.396 1.00 0.00 C ATOM 1375 OG SER A 451 18.924 -6.916 0.379 1.00 0.00 O ATOM 0 H SER A 451 18.833 -7.299 3.585 1.00 0.00 H new ATOM 0 HA SER A 451 19.791 -8.965 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 451 19.623 -6.046 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 451 20.859 -6.521 0.959 1.00 0.00 H new ATOM 0 HG SER A 451 18.032 -6.843 0.778 1.00 0.00 H new ATOM 1381 N LEU A 452 22.092 -9.497 2.177 1.00 0.00 N ATOM 1382 CA LEU A 452 23.479 -9.804 2.505 1.00 0.00 C ATOM 1383 C LEU A 452 24.284 -10.100 1.241 1.00 0.00 C ATOM 1384 O LEU A 452 24.996 -11.100 1.165 1.00 0.00 O ATOM 1385 CB LEU A 452 23.547 -10.998 3.460 1.00 0.00 C ATOM 1386 CG LEU A 452 23.414 -10.648 4.943 1.00 0.00 C ATOM 1387 CD1 LEU A 452 22.033 -10.080 5.237 1.00 0.00 C ATOM 1388 CD2 LEU A 452 23.682 -11.874 5.804 1.00 0.00 C ATOM 0 H LEU A 452 21.608 -10.232 1.661 1.00 0.00 H new ATOM 0 HA LEU A 452 23.913 -8.932 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 452 22.757 -11.701 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 452 24.496 -11.513 3.307 1.00 0.00 H new ATOM 0 HG LEU A 452 24.156 -9.887 5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 452 21.958 -9.837 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 452 21.877 -9.177 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 452 21.274 -10.818 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 452 23.583 -11.608 6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 452 22.963 -12.655 5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 452 24.692 -12.238 5.615 1.00 0.00 H new ATOM 1400 N ASN A 453 24.163 -9.221 0.251 1.00 0.00 N ATOM 1401 CA ASN A 453 24.877 -9.386 -1.009 1.00 0.00 C ATOM 1402 C ASN A 453 26.384 -9.418 -0.780 1.00 0.00 C ATOM 1403 O ASN A 453 26.974 -8.441 -0.319 1.00 0.00 O ATOM 1404 CB ASN A 453 24.520 -8.253 -1.974 1.00 0.00 C ATOM 1405 CG ASN A 453 24.908 -6.891 -1.434 1.00 0.00 C ATOM 1406 OD1 ASN A 453 26.036 -6.436 -1.617 1.00 0.00 O ATOM 1407 ND2 ASN A 453 23.969 -6.232 -0.762 1.00 0.00 N ATOM 0 H ASN A 453 23.577 -8.387 0.298 1.00 0.00 H new ATOM 0 HA ASN A 453 24.574 -10.337 -1.448 1.00 0.00 H new ATOM 0 HB2 ASN A 453 25.022 -8.419 -2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 453 23.448 -8.271 -2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 453 24.171 -5.311 -0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 453 23.046 -6.648 -0.634 1.00 0.00 H new ATOM 1414 N ALA A 454 27.003 -10.548 -1.106 1.00 0.00 N ATOM 1415 CA ALA A 454 28.442 -10.708 -0.937 1.00 0.00 C ATOM 1416 C ALA A 454 29.210 -9.941 -2.007 1.00 0.00 C ATOM 1417 O ALA A 454 29.967 -9.020 -1.701 1.00 0.00 O ATOM 1418 CB ALA A 454 28.816 -12.183 -0.972 1.00 0.00 C ATOM 0 H ALA A 454 26.530 -11.367 -1.489 1.00 0.00 H new ATOM 0 HA ALA A 454 28.716 -10.297 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 454 29.893 -12.288 -0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 454 28.302 -12.708 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 454 28.520 -12.611 -1.930 1.00 0.00 H new ATOM 1424 N ALA A 455 29.010 -10.326 -3.263 1.00 0.00 N ATOM 1425 CA ALA A 455 29.683 -9.674 -4.378 1.00 0.00 C ATOM 1426 C ALA A 455 28.704 -9.364 -5.506 1.00 0.00 C ATOM 1427 O ALA A 455 27.516 -9.725 -5.372 1.00 0.00 O ATOM 1428 CB ALA A 455 30.822 -10.544 -4.889 1.00 0.00 C ATOM 0 H ALA A 455 28.387 -11.087 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 455 30.094 -8.730 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 455 31.316 -10.044 -5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 455 31.541 -10.710 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 455 30.426 -11.502 -5.224 1.00 0.00 H new TER 1434 ALA A 455