USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 956 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 403 TYR OH : rot 30:sc= -1.77! USER MOD Set 1.2: A 421 HIS : no HD1:sc= -5.74! C(o=-12!,f=-13!) USER MOD Set 1.3: A 423 SER OG : rot 63:sc= -0.716! USER MOD Set 1.4: A 439 SER OG : rot -120:sc= 0.056 USER MOD Set 1.5: A 442 CYS SG : rot 180:sc= -0.131 USER MOD Set 1.6: A 444 ASN :FLIP amide:sc= -3.41! C(o=-13!,f=-12!) USER MOD Set 2.1: A 411 MET CE :methyl -171:sc= -7.28! (180deg=-7.48!) USER MOD Set 2.2: A 450 MET CE :methyl 140:sc= -5.03 (180deg=-7.03!) USER MOD Set 3.1: A 397 ASN : amide:sc= -0.866! X(o=-3.8!,f=-3.8) USER MOD Set 3.2: A 401 THR OG1 : rot 180:sc= -2.97! USER MOD Set 4.1: A 370 SER OG : rot 47:sc= -0.246 USER MOD Set 4.2: A 377 THR OG1 : rot -135:sc= 0.512 USER MOD Set 5.1: A 372 LYS NZ :NH3+ 134:sc= 1.2 (180deg=-0.0232) USER MOD Set 5.2: A 374 THR OG1 : rot 81:sc= -4.38! USER MOD Set 5.3: A 375 THR OG1 : rot -150:sc= -0.0388 USER MOD Set 5.4: A 440 HIS : no HD1:sc= -1.76 K(o=-5,f=-7.5!) USER MOD Single : A 339 HIS :FLIP no HE2:sc= -0.0635 F(o=-2,f=-0.064) USER MOD Single : A 340 MET CE :methyl 162:sc= -0.0486 (180deg=-1.43) USER MOD Single : A 343 THR OG1 : rot 170:sc= 0.388 USER MOD Single : A 344 TYR OH : rot 112:sc= 1.2 USER MOD Single : A 351 ASN :FLIP amide:sc= 0 F(o=-0.6!,f=0) USER MOD Single : A 352 GLN : amide:sc= -7.54! C(o=-7.5!,f=-11!) USER MOD Single : A 353 HIS : no HE2:sc= -2.86! C(o=-2.9!,f=-3!) USER MOD Single : A 354 MET CE :methyl 180:sc= -5.98! (180deg=-5.98!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 43:sc= 0.0268 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 80:sc= -1.78 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN :FLIP amide:sc= -0.16 F(o=-0.85,f=-0.16) USER MOD Single : A 387 LYS NZ :NH3+ -158:sc= 1.26 (180deg=0.691) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 405 SER OG : rot 46:sc= -4.4! USER MOD Single : A 408 ASN :FLIP amide:sc= -0.182 F(o=-1.2!,f=-0.18) USER MOD Single : A 409 TYR OH : rot 165:sc= 0 USER MOD Single : A 416 THR OG1 : rot -90:sc= 0.952 USER MOD Single : A 426 GLN : amide:sc= -5.08! C(o=-5.1!,f=-5.4!) USER MOD Single : A 429 TYR OH : rot 180:sc= -0.913 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -36:sc= 0.563 USER MOD Single : A 445 THR OG1 : rot -116:sc= 1.2 USER MOD Single : A 448 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 175:sc= -4.51! (180deg=-4.82!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 338 -15.124 -10.364 3.055 1.00 3.94 N ATOM 2 CA GLY A 338 -14.461 -11.373 3.917 1.00 3.08 C ATOM 3 C GLY A 338 -13.894 -10.756 5.179 1.00 2.42 C ATOM 4 O GLY A 338 -14.470 -10.886 6.258 1.00 2.77 O ATOM 0 HA2 GLY A 338 -15.178 -12.150 4.184 1.00 3.08 H new ATOM 0 HA3 GLY A 338 -13.660 -11.857 3.358 1.00 3.08 H new ATOM 10 N HIS A 339 -12.765 -10.077 5.039 1.00 1.85 N ATOM 11 CA HIS A 339 -12.122 -9.401 6.155 1.00 1.24 C ATOM 12 C HIS A 339 -12.766 -8.053 6.371 1.00 1.07 C ATOM 13 O HIS A 339 -12.402 -7.074 5.734 1.00 1.60 O ATOM 14 CB HIS A 339 -10.633 -9.254 5.879 1.00 1.08 C ATOM 15 CG HIS A 339 -9.791 -8.833 7.048 1.00 0.56 C ATOM 16 ND1 HIS A 339 -10.007 -7.937 8.041 1.00 0.65 N flip ATOM 17 CD2 HIS A 339 -8.525 -9.327 7.258 1.00 1.00 C flip ATOM 18 CE1 HIS A 339 -8.875 -7.907 8.816 1.00 1.30 C flip ATOM 19 NE2 HIS A 339 -7.997 -8.756 8.320 1.00 1.60 N flip ATOM 0 H HIS A 339 -12.271 -9.980 4.152 1.00 1.85 H new ATOM 0 HA HIS A 339 -12.246 -9.992 7.062 1.00 1.24 H new ATOM 0 HB2 HIS A 339 -10.256 -10.207 5.508 1.00 1.08 H new ATOM 0 HB3 HIS A 339 -10.501 -8.525 5.079 1.00 1.08 H new ATOM 0 HD1 HIS A 339 -10.854 -7.387 8.186 1.00 0.65 H new ATOM 0 HD2 HIS A 339 -8.038 -10.071 6.645 1.00 1.00 H new ATOM 0 HE1 HIS A 339 -8.728 -7.289 9.689 1.00 1.30 H new ATOM 28 N MET A 340 -13.706 -8.043 7.303 1.00 0.83 N ATOM 29 CA MET A 340 -14.537 -6.885 7.603 1.00 0.69 C ATOM 30 C MET A 340 -15.547 -6.631 6.487 1.00 0.64 C ATOM 31 O MET A 340 -15.638 -7.406 5.533 1.00 0.83 O ATOM 32 CB MET A 340 -13.673 -5.662 7.885 1.00 0.61 C ATOM 33 CG MET A 340 -12.938 -5.737 9.191 1.00 0.72 C ATOM 34 SD MET A 340 -11.269 -5.075 9.105 1.00 1.03 S ATOM 35 CE MET A 340 -11.631 -3.462 8.434 1.00 0.58 C ATOM 0 H MET A 340 -13.918 -8.854 7.884 1.00 0.83 H new ATOM 0 HA MET A 340 -15.109 -7.094 8.507 1.00 0.69 H new ATOM 0 HB2 MET A 340 -12.951 -5.543 7.077 1.00 0.61 H new ATOM 0 HB3 MET A 340 -14.304 -4.773 7.883 1.00 0.61 H new ATOM 0 HG2 MET A 340 -13.500 -5.190 9.948 1.00 0.72 H new ATOM 0 HG3 MET A 340 -12.893 -6.777 9.516 1.00 0.72 H new ATOM 0 HE1 MET A 340 -10.783 -2.798 8.604 1.00 0.58 H new ATOM 0 HE2 MET A 340 -11.816 -3.547 7.363 1.00 0.58 H new ATOM 0 HE3 MET A 340 -12.515 -3.054 8.924 1.00 0.58 H new ATOM 45 N GLU A 341 -16.335 -5.582 6.632 1.00 0.56 N ATOM 46 CA GLU A 341 -17.374 -5.272 5.662 1.00 0.57 C ATOM 47 C GLU A 341 -17.474 -3.775 5.384 1.00 0.46 C ATOM 48 O GLU A 341 -18.240 -3.342 4.524 1.00 0.49 O ATOM 49 CB GLU A 341 -18.709 -5.798 6.157 1.00 0.73 C ATOM 50 CG GLU A 341 -19.091 -5.204 7.492 1.00 0.76 C ATOM 51 CD GLU A 341 -20.353 -5.803 8.069 1.00 0.97 C ATOM 52 OE1 GLU A 341 -20.265 -6.810 8.800 1.00 1.08 O1- ATOM 53 OE2 GLU A 341 -21.446 -5.278 7.783 1.00 1.10 O ATOM 0 H GLU A 341 -16.277 -4.928 7.413 1.00 0.56 H new ATOM 0 HA GLU A 341 -17.107 -5.759 4.724 1.00 0.57 H new ATOM 0 HB2 GLU A 341 -19.483 -5.570 5.424 1.00 0.73 H new ATOM 0 HB3 GLU A 341 -18.662 -6.884 6.243 1.00 0.73 H new ATOM 0 HG2 GLU A 341 -18.272 -5.351 8.196 1.00 0.76 H new ATOM 0 HG3 GLU A 341 -19.225 -4.128 7.379 1.00 0.76 H new ATOM 60 N ASP A 342 -16.734 -3.002 6.138 1.00 0.38 N ATOM 61 CA ASP A 342 -16.591 -1.563 5.914 1.00 0.32 C ATOM 62 C ASP A 342 -16.081 -1.226 4.528 1.00 0.25 C ATOM 63 O ASP A 342 -15.735 -2.087 3.714 1.00 0.27 O ATOM 64 CB ASP A 342 -15.637 -0.926 6.895 1.00 0.34 C ATOM 65 CG ASP A 342 -16.199 -0.838 8.294 1.00 0.62 C ATOM 66 OD1 ASP A 342 -16.404 -1.894 8.927 1.00 0.79 O ATOM 67 OD2 ASP A 342 -16.426 0.288 8.776 1.00 0.98 O1- ATOM 0 H ASP A 342 -16.203 -3.347 6.937 1.00 0.38 H new ATOM 0 HA ASP A 342 -17.600 -1.171 6.044 1.00 0.32 H new ATOM 0 HB2 ASP A 342 -14.711 -1.500 6.917 1.00 0.34 H new ATOM 0 HB3 ASP A 342 -15.383 0.076 6.548 1.00 0.34 H new ATOM 72 N THR A 343 -16.165 0.047 4.242 1.00 0.23 N ATOM 73 CA THR A 343 -15.514 0.609 3.105 1.00 0.19 C ATOM 74 C THR A 343 -14.140 1.101 3.529 1.00 0.13 C ATOM 75 O THR A 343 -14.004 1.919 4.441 1.00 0.16 O ATOM 76 CB THR A 343 -16.325 1.770 2.535 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.619 1.309 2.122 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.596 2.399 1.374 1.00 0.20 C ATOM 0 H THR A 343 -16.691 0.720 4.799 1.00 0.23 H new ATOM 0 HA THR A 343 -15.422 -0.152 2.330 1.00 0.19 H new ATOM 0 HB THR A 343 -16.453 2.524 3.311 1.00 0.24 H new ATOM 0 HG1 THR A 343 -18.188 2.078 1.910 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.187 3.225 0.978 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.629 2.773 1.711 1.00 0.20 H new ATOM 0 HG23 THR A 343 -15.445 1.654 0.593 1.00 0.20 H new ATOM 86 N TYR A 344 -13.144 0.591 2.842 1.00 0.10 N ATOM 87 CA TYR A 344 -11.754 0.829 3.144 1.00 0.07 C ATOM 88 C TYR A 344 -10.891 0.478 1.963 1.00 0.06 C ATOM 89 O TYR A 344 -11.378 0.234 0.867 1.00 0.08 O ATOM 90 CB TYR A 344 -11.295 -0.041 4.302 1.00 0.08 C ATOM 91 CG TYR A 344 -11.805 -1.462 4.261 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.189 -2.433 3.488 1.00 0.14 C ATOM 93 CD2 TYR A 344 -12.916 -1.820 4.990 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.672 -3.724 3.446 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.411 -3.107 4.952 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.787 -4.054 4.178 1.00 0.25 C ATOM 97 OH TYR A 344 -13.287 -5.331 4.126 1.00 0.32 O ATOM 0 H TYR A 344 -13.284 -0.018 2.035 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.658 1.885 3.397 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.205 -0.060 4.315 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.617 0.420 5.236 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.315 -2.174 2.908 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.409 -1.080 5.603 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.177 -4.470 2.842 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.286 -3.369 5.529 1.00 0.25 H new ATOM 0 HH TYR A 344 -13.160 -5.768 4.994 1.00 0.32 H new ATOM 107 N ILE A 345 -9.595 0.468 2.195 1.00 0.05 N ATOM 108 CA ILE A 345 -8.683 -0.133 1.260 1.00 0.05 C ATOM 109 C ILE A 345 -8.281 -1.487 1.801 1.00 0.05 C ATOM 110 O ILE A 345 -8.383 -1.699 2.995 1.00 0.08 O ATOM 111 CB ILE A 345 -7.422 0.711 1.025 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.775 2.172 0.912 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.766 0.249 -0.257 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.786 2.395 -0.155 1.00 0.07 C ATOM 0 H ILE A 345 -9.155 0.870 3.023 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.192 -0.214 0.299 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.742 0.586 1.867 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.162 2.531 1.866 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.877 2.751 0.694 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.868 0.839 -0.439 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.497 -0.804 -0.169 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.460 0.378 -1.088 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -9.023 3.457 -0.215 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.386 2.057 -1.111 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.691 1.834 0.078 1.00 0.07 H new ATOM 126 N GLU A 346 -7.836 -2.399 0.956 1.00 0.05 N ATOM 127 CA GLU A 346 -7.433 -3.718 1.438 1.00 0.05 C ATOM 128 C GLU A 346 -6.187 -4.174 0.742 1.00 0.05 C ATOM 129 O GLU A 346 -5.866 -3.715 -0.331 1.00 0.06 O ATOM 130 CB GLU A 346 -8.541 -4.740 1.220 1.00 0.06 C ATOM 131 CG GLU A 346 -8.686 -5.678 2.368 1.00 0.07 C ATOM 132 CD GLU A 346 -9.639 -6.832 2.111 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.336 -7.687 1.248 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.688 -6.903 2.785 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.743 -2.260 -0.050 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.237 -3.635 2.507 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.485 -4.219 1.059 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.333 -5.309 0.314 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.705 -6.081 2.620 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.035 -5.120 3.237 1.00 0.07 H new ATOM 141 N VAL A 347 -5.463 -5.028 1.410 1.00 0.05 N ATOM 142 CA VAL A 347 -4.213 -5.546 0.926 1.00 0.05 C ATOM 143 C VAL A 347 -3.992 -6.931 1.457 1.00 0.07 C ATOM 144 O VAL A 347 -4.203 -7.202 2.635 1.00 0.08 O ATOM 145 CB VAL A 347 -3.045 -4.686 1.407 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.728 -5.368 1.095 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.084 -3.312 0.795 1.00 0.06 C ATOM 0 H VAL A 347 -5.730 -5.391 2.325 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.258 -5.546 -0.163 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.137 -4.570 2.487 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.904 -4.745 1.443 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.690 -6.334 1.599 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.641 -5.517 0.019 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.239 -2.727 1.159 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -3.027 -3.395 -0.290 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -4.014 -2.816 1.072 1.00 0.06 H new ATOM 157 N ASP A 348 -3.548 -7.781 0.585 1.00 0.08 N ATOM 158 CA ASP A 348 -3.159 -9.111 0.952 1.00 0.11 C ATOM 159 C ASP A 348 -1.691 -9.270 0.660 1.00 0.15 C ATOM 160 O ASP A 348 -1.266 -9.134 -0.483 1.00 0.24 O ATOM 161 CB ASP A 348 -4.002 -10.111 0.185 1.00 0.14 C ATOM 162 CG ASP A 348 -3.771 -11.556 0.582 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.597 -11.950 0.728 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.747 -12.306 0.750 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.444 -7.573 -0.408 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.323 -9.292 2.014 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.055 -9.870 0.332 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.796 -10.001 -0.880 1.00 0.14 H new ATOM 169 N LEU A 349 -0.919 -9.486 1.693 1.00 0.13 N ATOM 170 CA LEU A 349 0.514 -9.600 1.556 1.00 0.14 C ATOM 171 C LEU A 349 0.875 -10.872 0.824 1.00 0.20 C ATOM 172 O LEU A 349 1.628 -10.885 -0.142 1.00 0.32 O ATOM 173 CB LEU A 349 1.155 -9.570 2.944 1.00 0.16 C ATOM 174 CG LEU A 349 0.999 -8.270 3.722 1.00 0.14 C ATOM 175 CD1 LEU A 349 1.069 -7.079 2.815 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.293 -8.242 4.476 1.00 0.12 C ATOM 0 H LEU A 349 -1.261 -9.588 2.649 1.00 0.13 H new ATOM 0 HA LEU A 349 0.891 -8.761 0.971 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.729 -10.379 3.537 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.219 -9.781 2.836 1.00 0.16 H new ATOM 0 HG LEU A 349 1.826 -8.224 4.431 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.954 -6.168 3.402 1.00 0.14 H new ATOM 0 HD12 LEU A 349 2.033 -7.065 2.307 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.270 -7.137 2.075 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.376 -7.302 5.021 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.124 -8.330 3.777 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.321 -9.074 5.180 1.00 0.12 H new ATOM 188 N GLU A 350 0.268 -11.929 1.310 1.00 0.20 N ATOM 189 CA GLU A 350 0.466 -13.277 0.809 1.00 0.24 C ATOM 190 C GLU A 350 0.213 -13.377 -0.680 1.00 0.22 C ATOM 191 O GLU A 350 1.028 -13.889 -1.436 1.00 0.31 O ATOM 192 CB GLU A 350 -0.493 -14.182 1.515 1.00 0.31 C ATOM 193 CG GLU A 350 -0.048 -14.567 2.899 1.00 0.41 C ATOM 194 CD GLU A 350 0.878 -15.762 2.901 1.00 0.84 C ATOM 195 OE1 GLU A 350 0.380 -16.910 2.891 1.00 1.51 O ATOM 196 OE2 GLU A 350 2.109 -15.559 2.922 1.00 0.96 O1- ATOM 0 H GLU A 350 -0.394 -11.879 2.084 1.00 0.20 H new ATOM 0 HA GLU A 350 1.503 -13.560 0.992 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.464 -13.691 1.578 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.631 -15.086 0.922 1.00 0.31 H new ATOM 0 HG2 GLU A 350 0.457 -13.720 3.363 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -0.923 -14.789 3.509 1.00 0.41 H new ATOM 203 N ASN A 351 -0.973 -12.941 -1.066 1.00 0.18 N ATOM 204 CA ASN A 351 -1.441 -13.066 -2.430 1.00 0.19 C ATOM 205 C ASN A 351 -1.173 -11.774 -3.149 1.00 0.21 C ATOM 206 O ASN A 351 -1.660 -11.568 -4.262 1.00 0.35 O ATOM 207 CB ASN A 351 -2.944 -13.381 -2.467 1.00 0.27 C ATOM 208 CG ASN A 351 -3.296 -14.698 -1.808 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.685 -14.642 -0.544 1.00 0.91 O flip ATOM 210 ND2 ASN A 351 -3.244 -15.757 -2.436 1.00 0.39 N flip ATOM 0 H ASN A 351 -1.639 -12.489 -0.439 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.913 -13.886 -2.917 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.489 -12.578 -1.971 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.279 -13.401 -3.504 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -2.939 -15.758 -3.409 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.506 -16.632 -1.983 1.00 0.39 H new ATOM 217 N GLN A 352 -0.403 -10.918 -2.473 1.00 0.12 N ATOM 218 CA GLN A 352 0.056 -9.640 -3.018 1.00 0.11 C ATOM 219 C GLN A 352 -1.013 -8.964 -3.860 1.00 0.11 C ATOM 220 O GLN A 352 -0.900 -8.869 -5.085 1.00 0.18 O ATOM 221 CB GLN A 352 1.306 -9.837 -3.851 1.00 0.18 C ATOM 222 CG GLN A 352 2.506 -10.361 -3.072 1.00 0.30 C ATOM 223 CD GLN A 352 3.303 -9.271 -2.401 1.00 1.41 C ATOM 224 OE1 GLN A 352 4.299 -8.798 -2.940 1.00 2.22 O ATOM 225 NE2 GLN A 352 2.882 -8.871 -1.215 1.00 1.92 N ATOM 0 H GLN A 352 -0.078 -11.095 -1.523 1.00 0.12 H new ATOM 0 HA GLN A 352 0.279 -8.992 -2.170 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.082 -10.532 -4.661 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.574 -8.886 -4.312 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.160 -11.066 -2.316 1.00 0.30 H new ATOM 0 HG3 GLN A 352 3.157 -10.913 -3.749 1.00 0.30 H new ATOM 0 HE21 GLN A 352 2.049 -9.290 -0.802 1.00 1.92 H new ATOM 0 HE22 GLN A 352 3.390 -8.143 -0.712 1.00 1.92 H new ATOM 234 N HIS A 353 -2.024 -8.466 -3.195 1.00 0.07 N ATOM 235 CA HIS A 353 -3.157 -7.860 -3.878 1.00 0.07 C ATOM 236 C HIS A 353 -3.801 -6.819 -2.975 1.00 0.06 C ATOM 237 O HIS A 353 -4.150 -7.097 -1.842 1.00 0.07 O ATOM 238 CB HIS A 353 -4.186 -8.930 -4.230 1.00 0.08 C ATOM 239 CG HIS A 353 -5.064 -8.557 -5.387 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.814 -8.922 -6.692 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.206 -7.844 -5.419 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.771 -8.442 -7.467 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.629 -7.787 -6.719 1.00 0.13 N ATOM 0 H HIS A 353 -2.093 -8.465 -2.177 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.806 -7.383 -4.793 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.667 -9.860 -4.463 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.810 -9.124 -3.358 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -4.017 -9.474 -7.009 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.700 -7.397 -4.569 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.837 -8.568 -8.538 1.00 0.13 H new ATOM 252 N MET A 354 -3.913 -5.621 -3.483 1.00 0.05 N ATOM 253 CA MET A 354 -4.503 -4.519 -2.776 1.00 0.05 C ATOM 254 C MET A 354 -5.815 -4.119 -3.425 1.00 0.04 C ATOM 255 O MET A 354 -5.898 -3.919 -4.633 1.00 0.05 O ATOM 256 CB MET A 354 -3.522 -3.364 -2.785 1.00 0.05 C ATOM 257 CG MET A 354 -4.054 -2.143 -2.090 1.00 0.06 C ATOM 258 SD MET A 354 -3.747 -0.645 -2.996 1.00 0.06 S ATOM 259 CE MET A 354 -4.765 -1.040 -4.379 1.00 0.06 C ATOM 0 H MET A 354 -3.589 -5.380 -4.420 1.00 0.05 H new ATOM 0 HA MET A 354 -4.718 -4.806 -1.747 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.596 -3.676 -2.303 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.275 -3.111 -3.816 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.127 -2.256 -1.937 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.598 -2.065 -1.103 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.730 -0.224 -5.101 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.403 -1.955 -4.847 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.792 -1.185 -4.045 1.00 0.06 H new ATOM 269 N TRP A 355 -6.833 -4.036 -2.596 1.00 0.05 N ATOM 270 CA TRP A 355 -8.177 -3.724 -3.021 1.00 0.05 C ATOM 271 C TRP A 355 -8.624 -2.387 -2.521 1.00 0.05 C ATOM 272 O TRP A 355 -7.970 -1.781 -1.700 1.00 0.05 O ATOM 273 CB TRP A 355 -9.177 -4.726 -2.489 1.00 0.06 C ATOM 274 CG TRP A 355 -9.042 -6.085 -3.042 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.652 -6.558 -4.146 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.277 -7.150 -2.498 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.296 -7.856 -4.358 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.451 -8.256 -3.342 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.454 -7.270 -1.380 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.823 -9.478 -3.092 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.839 -8.469 -1.135 1.00 0.09 C ATOM 282 CH2 TRP A 355 -7.023 -9.564 -1.986 1.00 0.10 C ATOM 0 H TRP A 355 -6.747 -4.186 -1.591 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.145 -3.741 -4.110 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.077 -4.778 -1.405 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.183 -4.361 -2.699 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.325 -5.991 -4.772 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.603 -8.436 -5.139 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.303 -6.431 -0.717 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.964 -10.324 -3.748 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.201 -8.571 -0.270 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.523 -10.496 -1.765 1.00 0.10 H new ATOM 293 N TYR A 356 -9.775 -1.974 -2.982 1.00 0.06 N ATOM 294 CA TYR A 356 -10.498 -0.906 -2.350 1.00 0.06 C ATOM 295 C TYR A 356 -11.849 -1.453 -2.062 1.00 0.06 C ATOM 296 O TYR A 356 -12.578 -1.794 -2.957 1.00 0.07 O ATOM 297 CB TYR A 356 -10.581 0.335 -3.220 1.00 0.06 C ATOM 298 CG TYR A 356 -11.374 1.486 -2.564 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.660 1.293 -2.100 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.829 2.760 -2.394 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.371 2.309 -1.495 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.540 3.781 -1.786 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.807 3.593 -1.418 1.00 0.13 C ATOM 304 OH TYR A 356 -13.521 4.557 -0.731 1.00 0.20 O ATOM 0 H TYR A 356 -10.235 -2.368 -3.803 1.00 0.06 H new ATOM 0 HA TYR A 356 -9.988 -0.580 -1.443 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.572 0.680 -3.446 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -11.049 0.075 -4.169 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.121 0.323 -2.213 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.827 2.954 -2.746 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.352 2.119 -1.085 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.065 4.735 -1.609 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.027 5.403 -0.747 1.00 0.20 H new ATOM 314 N TYR A 357 -12.156 -1.609 -0.815 1.00 0.09 N ATOM 315 CA TYR A 357 -13.435 -2.138 -0.467 1.00 0.11 C ATOM 316 C TYR A 357 -14.407 -1.043 -0.188 1.00 0.12 C ATOM 317 O TYR A 357 -14.172 -0.177 0.630 1.00 0.14 O ATOM 318 CB TYR A 357 -13.376 -3.081 0.722 1.00 0.12 C ATOM 319 CG TYR A 357 -12.938 -4.466 0.358 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.619 -4.737 0.018 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.840 -5.503 0.365 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.224 -6.017 -0.313 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.457 -6.777 0.042 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.106 -7.012 -0.330 1.00 0.14 C ATOM 325 OH TYR A 357 -11.777 -8.314 -0.630 1.00 0.18 O ATOM 0 H TYR A 357 -11.547 -1.381 -0.029 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.771 -2.713 -1.330 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.691 -2.674 1.466 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.360 -3.129 1.188 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.894 -3.937 0.013 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.869 -5.309 0.630 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.191 -6.212 -0.560 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.169 -7.589 0.069 1.00 0.16 H new ATOM 0 HH TYR A 357 -10.936 -8.550 -0.185 1.00 0.18 H new ATOM 335 N LYS A 358 -15.490 -1.102 -0.888 1.00 0.12 N ATOM 336 CA LYS A 358 -16.577 -0.263 -0.690 1.00 0.14 C ATOM 337 C LYS A 358 -17.828 -1.057 -0.697 1.00 0.17 C ATOM 338 O LYS A 358 -18.026 -1.947 -1.519 1.00 0.19 O ATOM 339 CB LYS A 358 -16.689 0.756 -1.716 1.00 0.18 C ATOM 340 CG LYS A 358 -17.666 1.678 -1.220 1.00 0.24 C ATOM 341 CD LYS A 358 -17.805 2.820 -2.078 1.00 0.28 C ATOM 342 CE LYS A 358 -16.520 3.523 -2.294 1.00 0.42 C ATOM 343 NZ LYS A 358 -16.672 4.737 -3.137 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.627 -1.774 -1.643 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.422 0.229 0.270 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.732 1.250 -1.888 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -17.001 0.325 -2.667 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.628 1.174 -1.128 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -17.381 2.007 -0.221 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.208 2.502 -3.039 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -18.526 3.512 -1.643 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.097 3.804 -1.330 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -15.812 2.842 -2.767 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -15.745 5.193 -3.259 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -17.051 4.468 -4.068 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.327 5.400 -2.675 1.00 0.47 H new ATOM 357 N ASP A 359 -18.666 -0.698 0.244 1.00 0.23 N ATOM 358 CA ASP A 359 -19.974 -1.273 0.399 1.00 0.30 C ATOM 359 C ASP A 359 -19.834 -2.722 0.739 1.00 0.27 C ATOM 360 O ASP A 359 -20.794 -3.487 0.755 1.00 0.33 O ATOM 361 CB ASP A 359 -20.770 -1.069 -0.873 1.00 0.34 C ATOM 362 CG ASP A 359 -22.215 -0.691 -0.607 1.00 0.44 C ATOM 363 OD1 ASP A 359 -23.009 -1.573 -0.220 1.00 0.60 O ATOM 364 OD2 ASP A 359 -22.568 0.493 -0.790 1.00 0.49 O1- ATOM 0 H ASP A 359 -18.450 0.018 0.937 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.513 -0.784 1.210 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.299 -0.288 -1.470 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.741 -1.984 -1.465 1.00 0.34 H new ATOM 369 N GLY A 360 -18.598 -3.054 1.064 1.00 0.22 N ATOM 370 CA GLY A 360 -18.251 -4.376 1.441 1.00 0.21 C ATOM 371 C GLY A 360 -17.876 -5.229 0.256 1.00 0.19 C ATOM 372 O GLY A 360 -17.787 -6.454 0.328 1.00 0.23 O ATOM 0 H GLY A 360 -17.817 -2.398 1.068 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.417 -4.344 2.142 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.090 -4.834 1.965 1.00 0.21 H new ATOM 376 N LYS A 361 -17.657 -4.534 -0.818 1.00 0.16 N ATOM 377 CA LYS A 361 -17.365 -5.064 -2.111 1.00 0.17 C ATOM 378 C LYS A 361 -16.110 -4.349 -2.564 1.00 0.13 C ATOM 379 O LYS A 361 -15.676 -3.443 -1.875 1.00 0.15 O ATOM 380 CB LYS A 361 -18.595 -4.736 -2.951 1.00 0.22 C ATOM 381 CG LYS A 361 -18.339 -4.161 -4.308 1.00 0.32 C ATOM 382 CD LYS A 361 -18.609 -5.139 -5.418 1.00 0.55 C ATOM 383 CE LYS A 361 -18.026 -6.476 -5.094 1.00 0.52 C ATOM 384 NZ LYS A 361 -18.007 -7.391 -6.266 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.679 -3.514 -0.812 1.00 0.16 H new ATOM 0 HA LYS A 361 -17.181 -6.137 -2.167 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.180 -5.648 -3.071 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.212 -4.032 -2.393 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -18.964 -3.279 -4.447 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.302 -3.829 -4.367 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.684 -5.233 -5.574 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -18.183 -4.767 -6.350 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -17.009 -6.345 -4.724 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.602 -6.934 -4.290 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -17.593 -8.304 -5.987 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.979 -7.540 -6.606 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.436 -6.970 -7.026 1.00 0.68 H new ATOM 398 N VAL A 362 -15.484 -4.703 -3.660 1.00 0.10 N ATOM 399 CA VAL A 362 -14.330 -3.931 -4.023 1.00 0.09 C ATOM 400 C VAL A 362 -14.601 -3.011 -5.154 1.00 0.09 C ATOM 401 O VAL A 362 -15.243 -3.318 -6.162 1.00 0.11 O ATOM 402 CB VAL A 362 -13.035 -4.696 -4.286 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.769 -5.717 -3.224 1.00 0.53 C ATOM 404 CG2 VAL A 362 -13.003 -5.299 -5.649 1.00 0.52 C ATOM 0 H VAL A 362 -15.735 -5.473 -4.281 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.144 -3.369 -3.108 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.226 -3.966 -4.245 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.839 -6.240 -3.447 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.684 -5.222 -2.257 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.590 -6.433 -3.194 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -12.063 -5.832 -5.789 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.835 -5.995 -5.759 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.088 -4.511 -6.397 1.00 0.52 H new ATOM 414 N ALA A 363 -14.089 -1.867 -4.903 1.00 0.09 N ATOM 415 CA ALA A 363 -14.095 -0.762 -5.770 1.00 0.10 C ATOM 416 C ALA A 363 -12.871 -0.828 -6.625 1.00 0.10 C ATOM 417 O ALA A 363 -12.822 -0.295 -7.736 1.00 0.12 O ATOM 418 CB ALA A 363 -14.020 0.455 -4.903 1.00 0.11 C ATOM 0 H ALA A 363 -13.621 -1.668 -4.019 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.981 -0.744 -6.404 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.021 1.348 -5.528 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.880 0.479 -4.234 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.103 0.426 -4.314 1.00 0.11 H new ATOM 424 N LEU A 364 -11.872 -1.498 -6.083 1.00 0.08 N ATOM 425 CA LEU A 364 -10.588 -1.518 -6.694 1.00 0.07 C ATOM 426 C LEU A 364 -9.863 -2.776 -6.271 1.00 0.06 C ATOM 427 O LEU A 364 -10.161 -3.342 -5.222 1.00 0.08 O ATOM 428 CB LEU A 364 -9.790 -0.273 -6.333 1.00 0.06 C ATOM 429 CG LEU A 364 -8.829 0.127 -7.427 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.493 0.981 -8.471 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.617 0.834 -6.911 1.00 0.06 C ATOM 0 H LEU A 364 -11.941 -2.033 -5.217 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.703 -1.518 -7.778 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.476 0.551 -6.135 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.235 -0.454 -5.413 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.506 -0.810 -7.880 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.767 1.247 -9.239 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.315 0.428 -8.925 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.879 1.889 -8.007 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.966 1.095 -7.745 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.920 1.742 -6.389 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.081 0.181 -6.222 1.00 0.06 H new ATOM 443 N GLU A 365 -8.942 -3.219 -7.099 1.00 0.07 N ATOM 444 CA GLU A 365 -8.214 -4.470 -6.875 1.00 0.07 C ATOM 445 C GLU A 365 -7.011 -4.526 -7.764 1.00 0.07 C ATOM 446 O GLU A 365 -7.132 -4.470 -8.986 1.00 0.09 O ATOM 447 CB GLU A 365 -9.038 -5.714 -7.181 1.00 0.09 C ATOM 448 CG GLU A 365 -10.456 -5.423 -7.630 1.00 0.22 C ATOM 449 CD GLU A 365 -11.089 -6.568 -8.387 1.00 0.26 C ATOM 450 OE1 GLU A 365 -11.232 -7.661 -7.806 1.00 0.61 O ATOM 451 OE2 GLU A 365 -11.450 -6.381 -9.566 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.669 -2.728 -7.951 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.952 -4.470 -5.817 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.533 -6.289 -7.958 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.072 -6.342 -6.291 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.066 -5.192 -6.757 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.455 -4.535 -8.262 1.00 0.22 H new ATOM 458 N THR A 366 -5.858 -4.651 -7.171 1.00 0.06 N ATOM 459 CA THR A 366 -4.671 -4.814 -7.940 1.00 0.06 C ATOM 460 C THR A 366 -3.646 -5.651 -7.228 1.00 0.06 C ATOM 461 O THR A 366 -3.749 -5.941 -6.046 1.00 0.07 O ATOM 462 CB THR A 366 -4.108 -3.453 -8.318 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.878 -3.583 -9.019 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.917 -2.625 -7.079 1.00 0.07 C ATOM 0 H THR A 366 -5.721 -4.642 -6.160 1.00 0.06 H new ATOM 0 HA THR A 366 -4.931 -5.353 -8.851 1.00 0.06 H new ATOM 0 HB THR A 366 -4.818 -2.956 -8.980 1.00 0.07 H new ATOM 0 HG1 THR A 366 -3.058 -3.806 -9.956 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.513 -1.650 -7.352 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.876 -2.494 -6.578 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.223 -3.130 -6.407 1.00 0.07 H new ATOM 472 N ASP A 367 -2.676 -6.029 -7.993 1.00 0.07 N ATOM 473 CA ASP A 367 -1.550 -6.778 -7.563 1.00 0.10 C ATOM 474 C ASP A 367 -0.539 -5.817 -7.018 1.00 0.10 C ATOM 475 O ASP A 367 -0.410 -4.696 -7.510 1.00 0.11 O ATOM 476 CB ASP A 367 -0.999 -7.540 -8.760 1.00 0.15 C ATOM 477 CG ASP A 367 -0.871 -6.712 -10.040 1.00 1.14 C ATOM 478 OD1 ASP A 367 -1.844 -6.023 -10.418 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.176 -6.801 -10.713 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.650 -5.810 -8.989 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.811 -7.495 -6.785 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.018 -7.937 -8.500 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.646 -8.394 -8.959 1.00 0.15 H new ATOM 484 N ILE A 368 0.114 -6.230 -5.960 1.00 0.09 N ATOM 485 CA ILE A 368 1.063 -5.379 -5.275 1.00 0.09 C ATOM 486 C ILE A 368 2.265 -6.151 -4.780 1.00 0.09 C ATOM 487 O ILE A 368 2.430 -7.329 -5.078 1.00 0.11 O ATOM 488 CB ILE A 368 0.417 -4.679 -4.085 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.268 -5.720 -3.220 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.545 -3.606 -4.558 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.493 -6.042 -1.961 1.00 0.11 C ATOM 0 H ILE A 368 0.006 -7.158 -5.550 1.00 0.09 H new ATOM 0 HA ILE A 368 1.391 -4.641 -6.007 1.00 0.09 H new ATOM 0 HB ILE A 368 1.176 -4.177 -3.486 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.263 -5.363 -2.954 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.401 -6.633 -3.800 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.997 -3.117 -3.695 1.00 0.08 H new ATOM 0 HG22 ILE A 368 -0.004 -2.869 -5.151 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.326 -4.061 -5.168 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.052 -6.793 -1.389 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.479 -6.428 -2.220 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.603 -5.138 -1.361 1.00 0.11 H new ATOM 503 N VAL A 369 3.087 -5.468 -4.003 1.00 0.09 N ATOM 504 CA VAL A 369 4.262 -6.062 -3.391 1.00 0.09 C ATOM 505 C VAL A 369 4.674 -5.231 -2.181 1.00 0.09 C ATOM 506 O VAL A 369 5.012 -4.054 -2.295 1.00 0.11 O ATOM 507 CB VAL A 369 5.427 -6.277 -4.405 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.324 -5.363 -5.596 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.786 -6.119 -3.759 1.00 0.12 C ATOM 0 H VAL A 369 2.958 -4.482 -3.778 1.00 0.09 H new ATOM 0 HA VAL A 369 4.006 -7.065 -3.049 1.00 0.09 H new ATOM 0 HB VAL A 369 5.327 -7.306 -4.751 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.158 -5.551 -6.272 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.385 -5.549 -6.117 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.355 -4.326 -5.262 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.564 -6.278 -4.505 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.878 -5.114 -3.347 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.896 -6.851 -2.959 1.00 0.12 H new ATOM 519 N SER A 370 4.559 -5.849 -1.014 1.00 0.09 N ATOM 520 CA SER A 370 4.640 -5.142 0.255 1.00 0.10 C ATOM 521 C SER A 370 5.375 -5.934 1.325 1.00 0.10 C ATOM 522 O SER A 370 5.234 -7.149 1.415 1.00 0.10 O ATOM 523 CB SER A 370 3.243 -4.879 0.752 1.00 0.12 C ATOM 524 OG SER A 370 3.268 -4.443 2.089 1.00 0.70 O ATOM 0 H SER A 370 4.407 -6.853 -0.921 1.00 0.09 H new ATOM 0 HA SER A 370 5.194 -4.220 0.076 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.764 -4.125 0.127 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.645 -5.787 0.671 1.00 0.12 H new ATOM 0 HG SER A 370 3.949 -3.746 2.193 1.00 0.70 H new ATOM 530 N GLY A 371 6.096 -5.220 2.174 1.00 0.09 N ATOM 531 CA GLY A 371 6.531 -5.786 3.430 1.00 0.10 C ATOM 532 C GLY A 371 7.647 -6.818 3.366 1.00 0.11 C ATOM 533 O GLY A 371 7.520 -7.853 4.004 1.00 0.13 O ATOM 0 H GLY A 371 6.388 -4.256 2.014 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.859 -4.971 4.075 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.669 -6.247 3.912 1.00 0.10 H new ATOM 537 N LYS A 372 8.705 -6.568 2.591 1.00 0.11 N ATOM 538 CA LYS A 372 9.762 -7.532 2.376 1.00 0.14 C ATOM 539 C LYS A 372 10.214 -8.121 3.690 1.00 0.16 C ATOM 540 O LYS A 372 10.237 -7.435 4.698 1.00 0.19 O ATOM 541 CB LYS A 372 10.924 -6.855 1.679 1.00 0.17 C ATOM 542 CG LYS A 372 11.559 -5.747 2.467 1.00 0.22 C ATOM 543 CD LYS A 372 12.972 -6.089 2.732 1.00 0.30 C ATOM 544 CE LYS A 372 13.922 -5.144 2.038 1.00 0.47 C ATOM 545 NZ LYS A 372 15.348 -5.510 2.253 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.844 -5.686 2.098 1.00 0.11 H new ATOM 0 HA LYS A 372 9.386 -8.341 1.750 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.683 -7.604 1.452 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.577 -6.454 0.726 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.496 -4.809 1.915 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.025 -5.600 3.406 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.156 -6.064 3.806 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.167 -7.108 2.399 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.709 -5.139 0.969 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.752 -4.131 2.401 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.857 -5.470 1.347 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.781 -4.842 2.923 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.405 -6.474 2.640 1.00 0.48 H new ATOM 559 N PRO A 373 10.542 -9.401 3.666 1.00 0.18 N ATOM 560 CA PRO A 373 10.834 -10.232 4.837 1.00 0.20 C ATOM 561 C PRO A 373 11.532 -9.525 6.011 1.00 0.20 C ATOM 562 O PRO A 373 11.278 -9.848 7.175 1.00 0.22 O ATOM 563 CB PRO A 373 11.714 -11.277 4.199 1.00 0.23 C ATOM 564 CG PRO A 373 10.992 -11.547 2.944 1.00 0.22 C ATOM 565 CD PRO A 373 10.657 -10.184 2.433 1.00 0.19 C ATOM 0 HA PRO A 373 9.931 -10.591 5.331 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.724 -10.908 4.019 1.00 0.23 H new ATOM 0 HB3 PRO A 373 11.806 -12.169 4.819 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.610 -12.100 2.237 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.095 -12.142 3.117 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.435 -9.795 1.776 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.728 -10.182 1.863 1.00 0.19 H new ATOM 573 N THR A 374 12.377 -8.549 5.707 1.00 0.20 N ATOM 574 CA THR A 374 13.140 -7.842 6.716 1.00 0.23 C ATOM 575 C THR A 374 12.287 -6.777 7.392 1.00 0.20 C ATOM 576 O THR A 374 12.420 -6.513 8.587 1.00 0.23 O ATOM 577 CB THR A 374 14.356 -7.165 6.074 1.00 0.28 C ATOM 578 OG1 THR A 374 13.997 -5.878 5.539 1.00 0.28 O ATOM 579 CG2 THR A 374 14.889 -8.020 4.946 1.00 0.30 C ATOM 0 H THR A 374 12.550 -8.229 4.754 1.00 0.20 H new ATOM 0 HA THR A 374 13.466 -8.567 7.461 1.00 0.23 H new ATOM 0 HB THR A 374 15.117 -7.041 6.844 1.00 0.28 H new ATOM 0 HG1 THR A 374 13.983 -5.216 6.261 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.753 -7.531 4.496 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.186 -8.994 5.336 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.113 -8.152 4.192 1.00 0.30 H new ATOM 587 N THR A 375 11.412 -6.167 6.609 1.00 0.18 N ATOM 588 CA THR A 375 10.551 -5.113 7.100 1.00 0.18 C ATOM 589 C THR A 375 9.160 -5.270 6.507 1.00 0.14 C ATOM 590 O THR A 375 8.738 -4.533 5.611 1.00 0.13 O ATOM 591 CB THR A 375 11.108 -3.719 6.790 1.00 0.23 C ATOM 592 OG1 THR A 375 12.520 -3.682 7.054 1.00 0.30 O ATOM 593 CG2 THR A 375 10.396 -2.680 7.635 1.00 0.27 C ATOM 0 H THR A 375 11.282 -6.389 5.622 1.00 0.18 H new ATOM 0 HA THR A 375 10.500 -5.203 8.185 1.00 0.18 H new ATOM 0 HB THR A 375 10.941 -3.497 5.736 1.00 0.23 H new ATOM 0 HG1 THR A 375 12.779 -2.776 7.321 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.796 -1.691 7.410 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.329 -2.699 7.412 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.550 -2.902 8.691 1.00 0.27 H new ATOM 601 N PRO A 376 8.475 -6.285 6.999 1.00 0.13 N ATOM 602 CA PRO A 376 7.152 -6.699 6.556 1.00 0.11 C ATOM 603 C PRO A 376 6.052 -5.740 6.931 1.00 0.11 C ATOM 604 O PRO A 376 6.199 -4.877 7.799 1.00 0.15 O ATOM 605 CB PRO A 376 6.934 -8.013 7.292 1.00 0.14 C ATOM 606 CG PRO A 376 8.275 -8.421 7.714 1.00 0.16 C ATOM 607 CD PRO A 376 8.976 -7.161 8.033 1.00 0.15 C ATOM 0 HA PRO A 376 7.114 -6.759 5.468 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.270 -7.884 8.147 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.477 -8.760 6.644 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.232 -9.079 8.582 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.788 -8.969 6.923 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.734 -6.798 9.032 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.059 -7.271 7.988 1.00 0.15 H new ATOM 615 N THR A 377 4.943 -5.916 6.246 1.00 0.08 N ATOM 616 CA THR A 377 3.743 -5.186 6.524 1.00 0.08 C ATOM 617 C THR A 377 3.076 -5.738 7.776 1.00 0.08 C ATOM 618 O THR A 377 3.143 -6.931 8.070 1.00 0.11 O ATOM 619 CB THR A 377 2.771 -5.291 5.345 1.00 0.09 C ATOM 620 OG1 THR A 377 3.400 -6.007 4.275 1.00 0.12 O ATOM 621 CG2 THR A 377 2.342 -3.929 4.853 1.00 0.11 C ATOM 0 H THR A 377 4.857 -6.578 5.475 1.00 0.08 H new ATOM 0 HA THR A 377 4.004 -4.139 6.681 1.00 0.08 H new ATOM 0 HB THR A 377 1.882 -5.821 5.686 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.232 -5.544 3.428 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.653 -4.045 4.016 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.846 -3.390 5.660 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.218 -3.368 4.527 1.00 0.11 H new ATOM 629 N PRO A 378 2.391 -4.852 8.482 1.00 0.07 N ATOM 630 CA PRO A 378 1.839 -5.085 9.812 1.00 0.07 C ATOM 631 C PRO A 378 0.571 -5.925 9.798 1.00 0.07 C ATOM 632 O PRO A 378 0.456 -6.885 10.558 1.00 0.09 O ATOM 633 CB PRO A 378 1.509 -3.680 10.310 1.00 0.08 C ATOM 634 CG PRO A 378 1.833 -2.736 9.206 1.00 0.09 C ATOM 635 CD PRO A 378 2.067 -3.535 7.988 1.00 0.08 C ATOM 0 HA PRO A 378 2.542 -5.638 10.435 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.456 -3.606 10.584 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.088 -3.442 11.202 1.00 0.08 H new ATOM 0 HG2 PRO A 378 1.014 -2.033 9.051 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.716 -2.147 9.453 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.183 -3.556 7.350 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.881 -3.122 7.392 1.00 0.08 H new ATOM 643 N ALA A 379 -0.369 -5.545 8.935 1.00 0.06 N ATOM 644 CA ALA A 379 -1.653 -6.220 8.809 1.00 0.07 C ATOM 645 C ALA A 379 -2.566 -6.042 10.014 1.00 0.07 C ATOM 646 O ALA A 379 -2.236 -6.398 11.147 1.00 0.09 O ATOM 647 CB ALA A 379 -1.442 -7.662 8.456 1.00 0.08 C ATOM 0 H ALA A 379 -0.257 -4.754 8.300 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.190 -5.736 7.993 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.408 -8.159 8.364 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -0.907 -7.730 7.509 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.858 -8.146 9.238 1.00 0.08 H new ATOM 653 N GLY A 380 -3.736 -5.486 9.727 1.00 0.08 N ATOM 654 CA GLY A 380 -4.711 -5.181 10.739 1.00 0.10 C ATOM 655 C GLY A 380 -5.735 -4.219 10.213 1.00 0.10 C ATOM 656 O GLY A 380 -6.315 -4.443 9.154 1.00 0.11 O ATOM 0 H GLY A 380 -4.026 -5.238 8.781 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.201 -6.098 11.068 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.216 -4.753 11.611 1.00 0.10 H new ATOM 660 N VAL A 381 -5.920 -3.131 10.924 1.00 0.11 N ATOM 661 CA VAL A 381 -6.849 -2.112 10.531 1.00 0.12 C ATOM 662 C VAL A 381 -6.126 -0.775 10.486 1.00 0.12 C ATOM 663 O VAL A 381 -5.701 -0.229 11.506 1.00 0.21 O ATOM 664 CB VAL A 381 -8.063 -2.077 11.475 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.678 -1.712 12.905 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.147 -1.152 10.936 1.00 0.87 C ATOM 0 H VAL A 381 -5.426 -2.933 11.794 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.236 -2.334 9.537 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.468 -3.088 11.512 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.571 -1.701 13.531 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.973 -2.448 13.291 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -7.215 -0.725 12.917 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.994 -1.145 11.622 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.749 -0.142 10.841 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.475 -1.506 9.959 1.00 0.87 H new ATOM 676 N PHE A 382 -5.926 -0.287 9.292 1.00 0.10 N ATOM 677 CA PHE A 382 -5.127 0.894 9.091 1.00 0.10 C ATOM 678 C PHE A 382 -6.017 2.019 8.592 1.00 0.09 C ATOM 679 O PHE A 382 -7.172 1.777 8.252 1.00 0.11 O ATOM 680 CB PHE A 382 -4.040 0.599 8.062 1.00 0.16 C ATOM 681 CG PHE A 382 -3.221 -0.607 8.373 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.088 -0.496 9.160 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.582 -1.847 7.884 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.331 -1.598 9.456 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.825 -2.953 8.178 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.720 -2.847 8.931 1.00 0.10 C ATOM 0 H PHE A 382 -6.308 -0.691 8.437 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.661 1.191 10.031 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.505 0.467 7.085 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.381 1.464 7.987 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -1.798 0.470 9.545 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.463 -1.947 7.268 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.453 -1.512 10.079 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.122 -3.920 7.799 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.125 -3.724 9.136 1.00 0.10 H new ATOM 696 N TYR A 383 -5.495 3.235 8.543 1.00 0.08 N ATOM 697 CA TYR A 383 -6.241 4.368 7.994 1.00 0.09 C ATOM 698 C TYR A 383 -5.297 5.375 7.406 1.00 0.09 C ATOM 699 O TYR A 383 -4.260 5.660 8.000 1.00 0.11 O ATOM 700 CB TYR A 383 -7.081 5.096 9.043 1.00 0.12 C ATOM 701 CG TYR A 383 -8.068 4.230 9.799 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.282 3.877 9.225 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.793 3.769 11.080 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.192 3.092 9.904 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.698 2.985 11.765 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.861 2.630 11.197 1.00 0.54 C ATOM 707 OH TYR A 383 -10.797 1.865 11.855 1.00 0.69 O ATOM 0 H TYR A 383 -4.559 3.467 8.875 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.905 3.947 7.239 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.408 5.564 9.762 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.630 5.899 8.551 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.518 4.223 8.230 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.855 4.029 11.548 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.140 2.836 9.455 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.469 2.654 12.767 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.450 1.608 12.735 1.00 0.69 H new ATOM 717 N VAL A 384 -5.653 5.944 6.275 1.00 0.09 N ATOM 718 CA VAL A 384 -4.821 6.967 5.699 1.00 0.10 C ATOM 719 C VAL A 384 -4.949 8.261 6.491 1.00 0.11 C ATOM 720 O VAL A 384 -6.045 8.806 6.660 1.00 0.13 O ATOM 721 CB VAL A 384 -5.103 7.197 4.197 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.564 7.000 3.883 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.655 8.582 3.773 1.00 0.14 C ATOM 0 H VAL A 384 -6.497 5.719 5.748 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.791 6.616 5.762 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.531 6.459 3.634 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.733 7.168 2.819 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.858 5.982 4.141 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.159 7.707 4.461 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -4.863 8.723 2.712 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.195 9.332 4.351 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.585 8.688 3.950 1.00 0.14 H new ATOM 733 N TRP A 385 -3.824 8.728 7.003 1.00 0.12 N ATOM 734 CA TRP A 385 -3.819 9.896 7.859 1.00 0.14 C ATOM 735 C TRP A 385 -3.193 11.094 7.193 1.00 0.16 C ATOM 736 O TRP A 385 -3.072 12.163 7.784 1.00 0.19 O ATOM 737 CB TRP A 385 -3.087 9.620 9.150 1.00 0.16 C ATOM 738 CG TRP A 385 -1.753 8.996 8.936 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.494 7.677 8.785 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.500 9.669 8.848 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.142 7.480 8.618 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.488 8.693 8.659 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.123 11.004 8.916 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.838 9.015 8.540 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.205 11.328 8.799 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.179 10.338 8.615 1.00 0.17 C ATOM 0 H TRP A 385 -2.905 8.316 6.840 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.865 10.123 8.066 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -2.962 10.554 9.698 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.694 8.963 9.773 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.238 6.894 8.794 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.315 6.578 8.485 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.865 11.776 9.059 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.586 8.250 8.394 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.505 12.364 8.850 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.217 10.624 8.531 1.00 0.17 H new ATOM 757 N ASN A 386 -2.818 10.915 5.956 1.00 0.16 N ATOM 758 CA ASN A 386 -2.210 11.974 5.182 1.00 0.21 C ATOM 759 C ASN A 386 -2.334 11.603 3.727 1.00 0.20 C ATOM 760 O ASN A 386 -2.307 10.434 3.378 1.00 0.18 O ATOM 761 CB ASN A 386 -0.739 12.131 5.567 1.00 0.24 C ATOM 762 CG ASN A 386 -0.132 13.414 5.070 1.00 0.32 C ATOM 763 OD1 ASN A 386 0.452 13.368 3.898 1.00 0.41 O flip ATOM 764 ND2 ASN A 386 -0.182 14.442 5.746 1.00 0.31 N flip ATOM 0 H ASN A 386 -2.923 10.034 5.453 1.00 0.16 H new ATOM 0 HA ASN A 386 -2.708 12.924 5.376 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -0.647 12.089 6.652 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.173 11.290 5.167 1.00 0.24 H new ATOM 0 HD21 ASN A 386 -0.647 14.433 6.654 1.00 0.31 H new ATOM 0 HD22 ASN A 386 0.242 15.302 5.398 1.00 0.31 H new ATOM 771 N LYS A 387 -2.530 12.579 2.888 1.00 0.22 N ATOM 772 CA LYS A 387 -2.704 12.316 1.491 1.00 0.22 C ATOM 773 C LYS A 387 -1.586 13.002 0.729 1.00 0.19 C ATOM 774 O LYS A 387 -1.483 14.227 0.673 1.00 0.24 O ATOM 775 CB LYS A 387 -4.107 12.732 1.037 1.00 0.32 C ATOM 776 CG LYS A 387 -4.244 14.153 0.595 1.00 1.09 C ATOM 777 CD LYS A 387 -5.566 14.698 1.043 1.00 0.96 C ATOM 778 CE LYS A 387 -6.700 13.866 0.537 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.774 14.691 -0.083 1.00 0.67 N1+ ATOM 0 H LYS A 387 -2.573 13.564 3.148 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.637 11.248 1.283 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.412 12.083 0.216 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -4.803 12.556 1.857 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -3.434 14.752 1.010 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -4.163 14.215 -0.490 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -5.596 14.733 2.132 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -5.678 15.722 0.688 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -6.325 13.152 -0.196 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -7.119 13.288 1.360 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -8.667 14.158 -0.079 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.893 15.571 0.459 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -7.513 14.921 -1.063 1.00 0.67 H new ATOM 793 N GLU A 388 -0.715 12.191 0.208 1.00 0.18 N ATOM 794 CA GLU A 388 0.483 12.651 -0.406 1.00 0.18 C ATOM 795 C GLU A 388 0.504 12.300 -1.862 1.00 0.23 C ATOM 796 O GLU A 388 0.183 11.203 -2.274 1.00 0.38 O ATOM 797 CB GLU A 388 1.662 12.074 0.350 1.00 0.16 C ATOM 798 CG GLU A 388 2.366 13.123 1.170 1.00 0.16 C ATOM 799 CD GLU A 388 3.452 12.564 2.070 1.00 0.20 C ATOM 800 OE1 GLU A 388 3.136 12.120 3.195 1.00 0.32 O1- ATOM 801 OE2 GLU A 388 4.629 12.558 1.651 1.00 0.32 O ATOM 0 H GLU A 388 -0.823 11.177 0.200 1.00 0.18 H new ATOM 0 HA GLU A 388 0.541 13.738 -0.358 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.318 11.272 1.003 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.365 11.631 -0.355 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.806 13.861 0.500 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.632 13.646 1.783 1.00 0.16 H new ATOM 808 N GLU A 389 0.801 13.292 -2.631 1.00 0.17 N ATOM 809 CA GLU A 389 0.865 13.185 -4.048 1.00 0.19 C ATOM 810 C GLU A 389 2.156 13.757 -4.536 1.00 0.21 C ATOM 811 O GLU A 389 2.555 14.845 -4.111 1.00 0.26 O ATOM 812 CB GLU A 389 -0.278 13.960 -4.631 1.00 0.21 C ATOM 813 CG GLU A 389 -1.622 13.397 -4.288 1.00 0.30 C ATOM 814 CD GLU A 389 -2.759 14.079 -5.028 1.00 1.06 C ATOM 815 OE1 GLU A 389 -3.294 15.082 -4.506 1.00 1.18 O ATOM 816 OE2 GLU A 389 -3.130 13.617 -6.125 1.00 1.96 O1- ATOM 0 H GLU A 389 1.012 14.226 -2.280 1.00 0.17 H new ATOM 0 HA GLU A 389 0.804 12.139 -4.349 1.00 0.19 H new ATOM 0 HB2 GLU A 389 -0.224 14.990 -4.279 1.00 0.21 H new ATOM 0 HB3 GLU A 389 -0.171 13.988 -5.715 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.633 12.332 -4.519 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.786 13.492 -3.215 1.00 0.30 H new ATOM 823 N ASP A 390 2.777 13.046 -5.428 1.00 0.20 N ATOM 824 CA ASP A 390 4.109 13.400 -5.894 1.00 0.19 C ATOM 825 C ASP A 390 4.994 13.557 -4.664 1.00 0.21 C ATOM 826 O ASP A 390 5.773 14.503 -4.505 1.00 0.40 O ATOM 827 CB ASP A 390 4.050 14.681 -6.702 1.00 0.24 C ATOM 828 CG ASP A 390 5.335 14.981 -7.450 1.00 0.26 C ATOM 829 OD1 ASP A 390 5.637 14.282 -8.443 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.065 15.904 -7.025 1.00 0.36 O ATOM 0 H ASP A 390 2.389 12.207 -5.859 1.00 0.20 H new ATOM 0 HA ASP A 390 4.518 12.628 -6.545 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.230 14.614 -7.417 1.00 0.24 H new ATOM 0 HB3 ASP A 390 3.824 15.513 -6.035 1.00 0.24 H new ATOM 835 N ALA A 391 4.754 12.637 -3.759 1.00 0.15 N ATOM 836 CA ALA A 391 5.369 12.598 -2.467 1.00 0.16 C ATOM 837 C ALA A 391 6.577 11.702 -2.450 1.00 0.15 C ATOM 838 O ALA A 391 6.849 10.957 -3.386 1.00 0.16 O ATOM 839 CB ALA A 391 4.345 12.123 -1.456 1.00 0.16 C ATOM 0 H ALA A 391 4.100 11.870 -3.915 1.00 0.15 H new ATOM 0 HA ALA A 391 5.713 13.601 -2.212 1.00 0.16 H new ATOM 0 HB1 ALA A 391 4.800 12.088 -0.466 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.500 12.811 -1.443 1.00 0.16 H new ATOM 0 HB3 ALA A 391 3.997 11.127 -1.731 1.00 0.16 H new ATOM 845 N THR A 392 7.281 11.786 -1.360 1.00 0.16 N ATOM 846 CA THR A 392 8.489 11.037 -1.174 1.00 0.17 C ATOM 847 C THR A 392 8.434 10.278 0.125 1.00 0.16 C ATOM 848 O THR A 392 8.513 10.836 1.222 1.00 0.18 O ATOM 849 CB THR A 392 9.742 11.916 -1.210 1.00 0.20 C ATOM 850 OG1 THR A 392 10.035 12.299 -2.561 1.00 0.27 O ATOM 851 CG2 THR A 392 10.932 11.168 -0.603 1.00 0.22 C ATOM 0 H THR A 392 7.032 12.380 -0.569 1.00 0.16 H new ATOM 0 HA THR A 392 8.561 10.340 -2.009 1.00 0.17 H new ATOM 0 HB THR A 392 9.558 12.814 -0.621 1.00 0.20 H new ATOM 0 HG1 THR A 392 10.837 12.862 -2.575 1.00 0.27 H new ATOM 0 HG21 THR A 392 11.816 11.804 -0.635 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.709 10.908 0.432 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.119 10.258 -1.173 1.00 0.22 H new ATOM 859 N LEU A 393 8.235 9.010 -0.037 1.00 0.15 N ATOM 860 CA LEU A 393 8.242 8.060 1.021 1.00 0.16 C ATOM 861 C LEU A 393 9.624 7.798 1.482 1.00 0.17 C ATOM 862 O LEU A 393 10.578 8.054 0.769 1.00 0.18 O ATOM 863 CB LEU A 393 7.633 6.799 0.508 1.00 0.16 C ATOM 864 CG LEU A 393 6.132 6.826 0.410 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.680 7.884 -0.572 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.635 5.490 -0.036 1.00 0.24 C ATOM 0 H LEU A 393 8.056 8.593 -0.951 1.00 0.15 H new ATOM 0 HA LEU A 393 7.675 8.446 1.868 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.045 6.586 -0.478 1.00 0.16 H new ATOM 0 HB3 LEU A 393 7.927 5.977 1.160 1.00 0.16 H new ATOM 0 HG LEU A 393 5.724 7.063 1.393 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.591 7.887 -0.628 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.029 8.862 -0.240 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.093 7.667 -1.557 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.547 5.511 -0.106 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.057 5.252 -1.012 1.00 0.24 H new ATOM 0 HD23 LEU A 393 5.937 4.730 0.685 1.00 0.24 H new ATOM 878 N LYS A 394 9.713 7.315 2.683 1.00 0.20 N ATOM 879 CA LYS A 394 10.937 7.039 3.294 1.00 0.24 C ATOM 880 C LYS A 394 10.764 5.881 4.215 1.00 0.30 C ATOM 881 O LYS A 394 9.685 5.292 4.264 1.00 0.38 O ATOM 882 CB LYS A 394 11.421 8.248 4.016 1.00 0.29 C ATOM 883 CG LYS A 394 12.223 9.070 3.104 1.00 0.29 C ATOM 884 CD LYS A 394 11.714 10.460 2.993 1.00 0.61 C ATOM 885 CE LYS A 394 12.086 11.251 4.210 1.00 0.52 C ATOM 886 NZ LYS A 394 11.618 12.659 4.135 1.00 0.67 N1+ ATOM 0 H LYS A 394 8.903 7.103 3.265 1.00 0.20 H new ATOM 0 HA LYS A 394 11.687 6.778 2.547 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.575 8.823 4.393 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.018 7.955 4.880 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.255 9.092 3.453 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.230 8.609 2.116 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.126 10.935 2.103 1.00 0.61 H new ATOM 0 HD3 LYS A 394 10.630 10.449 2.876 1.00 0.61 H new ATOM 0 HE2 LYS A 394 11.659 10.776 5.093 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.169 11.237 4.332 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 11.899 13.165 4.999 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.045 13.123 3.308 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 10.582 12.676 4.045 1.00 0.67 H new ATOM 900 N GLY A 395 11.785 5.539 4.942 1.00 0.32 N ATOM 901 CA GLY A 395 11.595 4.480 5.884 1.00 0.39 C ATOM 902 C GLY A 395 12.805 4.132 6.681 1.00 0.44 C ATOM 903 O GLY A 395 13.615 4.987 7.027 1.00 0.81 O ATOM 0 H GLY A 395 12.716 5.955 4.907 1.00 0.32 H new ATOM 0 HA2 GLY A 395 10.794 4.760 6.568 1.00 0.39 H new ATOM 0 HA3 GLY A 395 11.261 3.591 5.349 1.00 0.39 H new ATOM 907 N THR A 396 12.877 2.864 6.995 1.00 0.58 N ATOM 908 CA THR A 396 14.019 2.267 7.597 1.00 0.57 C ATOM 909 C THR A 396 14.213 0.913 7.011 1.00 0.60 C ATOM 910 O THR A 396 13.342 0.045 7.049 1.00 0.71 O ATOM 911 CB THR A 396 13.928 2.186 9.107 1.00 0.67 C ATOM 912 OG1 THR A 396 12.560 2.217 9.542 1.00 0.79 O ATOM 913 CG2 THR A 396 14.709 3.336 9.682 1.00 0.68 C ATOM 0 H THR A 396 12.114 2.207 6.830 1.00 0.58 H new ATOM 0 HA THR A 396 14.878 2.904 7.386 1.00 0.57 H new ATOM 0 HB THR A 396 14.348 1.243 9.457 1.00 0.67 H new ATOM 0 HG1 THR A 396 12.526 2.162 10.520 1.00 0.79 H new ATOM 0 HG21 THR A 396 14.660 3.301 10.770 1.00 0.68 H new ATOM 0 HG22 THR A 396 15.749 3.265 9.363 1.00 0.68 H new ATOM 0 HG23 THR A 396 14.285 4.276 9.329 1.00 0.68 H new ATOM 921 N ASN A 397 15.345 0.805 6.387 1.00 0.55 N ATOM 922 CA ASN A 397 15.771 -0.409 5.728 1.00 0.62 C ATOM 923 C ASN A 397 15.751 -1.618 6.635 1.00 0.69 C ATOM 924 O ASN A 397 15.430 -1.513 7.815 1.00 0.70 O ATOM 925 CB ASN A 397 17.162 -0.288 5.202 1.00 0.63 C ATOM 926 CG ASN A 397 17.164 0.186 3.784 1.00 0.70 C ATOM 927 OD1 ASN A 397 17.241 -0.601 2.845 1.00 1.12 O ATOM 928 ND2 ASN A 397 17.020 1.467 3.624 1.00 0.50 N ATOM 0 H ASN A 397 16.018 1.568 6.315 1.00 0.55 H new ATOM 0 HA ASN A 397 15.053 -0.548 4.919 1.00 0.62 H new ATOM 0 HB2 ASN A 397 17.729 0.407 5.821 1.00 0.63 H new ATOM 0 HB3 ASN A 397 17.663 -1.254 5.266 1.00 0.63 H new ATOM 0 HD21 ASN A 397 16.966 1.861 2.685 1.00 0.50 H new ATOM 0 HD22 ASN A 397 16.961 2.079 4.438 1.00 0.50 H new ATOM 935 N ASP A 398 16.139 -2.754 6.098 1.00 0.78 N ATOM 936 CA ASP A 398 16.413 -3.922 6.920 1.00 0.85 C ATOM 937 C ASP A 398 17.412 -3.585 8.030 1.00 0.78 C ATOM 938 O ASP A 398 17.457 -4.246 9.071 1.00 0.83 O ATOM 939 CB ASP A 398 16.942 -5.066 6.061 1.00 0.97 C ATOM 940 CG ASP A 398 17.695 -4.604 4.833 1.00 1.23 C ATOM 941 OD1 ASP A 398 17.044 -4.080 3.900 1.00 1.63 O1- ATOM 942 OD2 ASP A 398 18.930 -4.764 4.788 1.00 1.65 O ATOM 0 H ASP A 398 16.273 -2.898 5.097 1.00 0.78 H new ATOM 0 HA ASP A 398 15.479 -4.237 7.385 1.00 0.85 H new ATOM 0 HB2 ASP A 398 17.599 -5.690 6.667 1.00 0.97 H new ATOM 0 HB3 ASP A 398 16.106 -5.692 5.750 1.00 0.97 H new ATOM 947 N ASP A 399 18.192 -2.527 7.813 1.00 0.73 N ATOM 948 CA ASP A 399 19.223 -2.136 8.761 1.00 0.78 C ATOM 949 C ASP A 399 18.711 -1.125 9.747 1.00 0.74 C ATOM 950 O ASP A 399 19.248 -0.976 10.841 1.00 0.86 O ATOM 951 CB ASP A 399 20.401 -1.511 8.061 1.00 0.85 C ATOM 952 CG ASP A 399 21.522 -2.493 7.792 1.00 1.18 C ATOM 953 OD1 ASP A 399 21.485 -3.175 6.749 1.00 1.39 O ATOM 954 OD2 ASP A 399 22.449 -2.585 8.620 1.00 2.00 O1- ATOM 0 H ASP A 399 18.126 -1.929 6.989 1.00 0.73 H new ATOM 0 HA ASP A 399 19.522 -3.050 9.275 1.00 0.78 H new ATOM 0 HB2 ASP A 399 20.068 -1.081 7.116 1.00 0.85 H new ATOM 0 HB3 ASP A 399 20.783 -0.690 8.668 1.00 0.85 H new ATOM 959 N GLY A 400 17.693 -0.412 9.345 1.00 0.65 N ATOM 960 CA GLY A 400 17.291 0.740 10.096 1.00 0.65 C ATOM 961 C GLY A 400 17.897 1.976 9.505 1.00 0.61 C ATOM 962 O GLY A 400 18.256 2.924 10.205 1.00 0.66 O ATOM 0 H GLY A 400 17.136 -0.607 8.513 1.00 0.65 H new ATOM 0 HA2 GLY A 400 16.204 0.823 10.096 1.00 0.65 H new ATOM 0 HA3 GLY A 400 17.603 0.634 11.135 1.00 0.65 H new ATOM 966 N THR A 401 18.025 1.939 8.203 1.00 0.56 N ATOM 967 CA THR A 401 18.581 3.001 7.454 1.00 0.56 C ATOM 968 C THR A 401 17.507 3.516 6.568 1.00 0.50 C ATOM 969 O THR A 401 16.855 2.771 5.861 1.00 0.50 O ATOM 970 CB THR A 401 19.770 2.544 6.615 1.00 0.61 C ATOM 971 OG1 THR A 401 19.385 1.465 5.762 1.00 0.61 O ATOM 972 CG2 THR A 401 20.901 2.085 7.512 1.00 0.68 C ATOM 0 H THR A 401 17.734 1.144 7.635 1.00 0.56 H new ATOM 0 HA THR A 401 18.950 3.772 8.130 1.00 0.56 H new ATOM 0 HB THR A 401 20.106 3.386 6.010 1.00 0.61 H new ATOM 0 HG1 THR A 401 20.155 1.180 5.227 1.00 0.61 H new ATOM 0 HG21 THR A 401 21.743 1.762 6.900 1.00 0.68 H new ATOM 0 HG22 THR A 401 21.214 2.909 8.153 1.00 0.68 H new ATOM 0 HG23 THR A 401 20.561 1.254 8.130 1.00 0.68 H new ATOM 980 N PRO A 402 17.273 4.777 6.619 1.00 0.50 N ATOM 981 CA PRO A 402 16.203 5.377 5.899 1.00 0.46 C ATOM 982 C PRO A 402 16.441 5.319 4.413 1.00 0.45 C ATOM 983 O PRO A 402 17.572 5.295 3.922 1.00 0.56 O ATOM 984 CB PRO A 402 16.217 6.799 6.392 1.00 0.55 C ATOM 985 CG PRO A 402 17.043 6.783 7.608 1.00 0.81 C ATOM 986 CD PRO A 402 18.056 5.762 7.315 1.00 0.58 C ATOM 0 HA PRO A 402 15.249 4.874 6.058 1.00 0.46 H new ATOM 0 HB2 PRO A 402 16.635 7.471 5.642 1.00 0.55 H new ATOM 0 HB3 PRO A 402 15.208 7.150 6.607 1.00 0.55 H new ATOM 0 HG2 PRO A 402 17.496 7.756 7.799 1.00 0.81 H new ATOM 0 HG3 PRO A 402 16.456 6.526 8.490 1.00 0.81 H new ATOM 0 HD2 PRO A 402 18.866 6.152 6.699 1.00 0.58 H new ATOM 0 HD3 PRO A 402 18.509 5.361 8.222 1.00 0.58 H new ATOM 994 N TYR A 403 15.348 5.286 3.734 1.00 0.36 N ATOM 995 CA TYR A 403 15.304 5.126 2.303 1.00 0.34 C ATOM 996 C TYR A 403 14.226 6.039 1.789 1.00 0.29 C ATOM 997 O TYR A 403 13.645 6.757 2.571 1.00 0.29 O ATOM 998 CB TYR A 403 15.000 3.665 1.937 1.00 0.34 C ATOM 999 CG TYR A 403 13.600 3.192 2.309 1.00 0.31 C ATOM 1000 CD1 TYR A 403 12.496 3.553 1.540 1.00 0.29 C ATOM 1001 CD2 TYR A 403 13.378 2.404 3.436 1.00 0.37 C ATOM 1002 CE1 TYR A 403 11.224 3.148 1.873 1.00 0.28 C ATOM 1003 CE2 TYR A 403 12.101 1.999 3.774 1.00 0.38 C ATOM 1004 CZ TYR A 403 11.029 2.373 2.991 1.00 0.32 C ATOM 1005 OH TYR A 403 9.759 1.966 3.326 1.00 0.35 O ATOM 0 H TYR A 403 14.426 5.371 4.162 1.00 0.36 H new ATOM 0 HA TYR A 403 16.265 5.378 1.854 1.00 0.34 H new ATOM 0 HB2 TYR A 403 15.138 3.538 0.863 1.00 0.34 H new ATOM 0 HB3 TYR A 403 15.729 3.022 2.431 1.00 0.34 H new ATOM 0 HD1 TYR A 403 12.642 4.165 0.662 1.00 0.29 H new ATOM 0 HD2 TYR A 403 14.213 2.106 4.052 1.00 0.37 H new ATOM 0 HE1 TYR A 403 10.384 3.437 1.259 1.00 0.28 H new ATOM 0 HE2 TYR A 403 11.942 1.390 4.651 1.00 0.38 H new ATOM 0 HH TYR A 403 9.220 1.873 2.513 1.00 0.35 H new ATOM 1015 N GLU A 404 13.934 5.972 0.517 1.00 0.28 N ATOM 1016 CA GLU A 404 12.853 6.753 -0.066 1.00 0.24 C ATOM 1017 C GLU A 404 12.100 5.978 -1.124 1.00 0.24 C ATOM 1018 O GLU A 404 12.571 4.976 -1.662 1.00 0.31 O ATOM 1019 CB GLU A 404 13.349 8.033 -0.703 1.00 0.27 C ATOM 1020 CG GLU A 404 13.605 9.177 0.239 1.00 0.29 C ATOM 1021 CD GLU A 404 14.615 10.160 -0.307 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.253 10.945 -1.206 1.00 0.45 O ATOM 1023 OE2 GLU A 404 15.770 10.162 0.172 1.00 0.62 O1- ATOM 0 H GLU A 404 14.431 5.380 -0.149 1.00 0.28 H new ATOM 0 HA GLU A 404 12.191 6.988 0.767 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.273 7.815 -1.239 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.618 8.355 -1.445 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.668 9.697 0.438 1.00 0.29 H new ATOM 0 HG3 GLU A 404 13.961 8.786 1.192 1.00 0.29 H new ATOM 1030 N SER A 405 10.912 6.469 -1.378 1.00 0.20 N ATOM 1031 CA SER A 405 10.031 5.970 -2.379 1.00 0.20 C ATOM 1032 C SER A 405 9.405 7.170 -3.089 1.00 0.18 C ATOM 1033 O SER A 405 8.520 7.841 -2.547 1.00 0.23 O ATOM 1034 CB SER A 405 8.985 5.116 -1.681 1.00 0.26 C ATOM 1035 OG SER A 405 7.679 5.390 -2.133 1.00 1.33 O ATOM 0 H SER A 405 10.526 7.261 -0.865 1.00 0.20 H new ATOM 0 HA SER A 405 10.542 5.358 -3.123 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.210 4.063 -1.847 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.038 5.288 -0.606 1.00 0.26 H new ATOM 0 HG SER A 405 7.675 5.437 -3.112 1.00 1.33 H new ATOM 1041 N PRO A 406 9.930 7.518 -4.266 1.00 0.18 N ATOM 1042 CA PRO A 406 9.381 8.579 -5.086 1.00 0.19 C ATOM 1043 C PRO A 406 8.030 8.184 -5.625 1.00 0.17 C ATOM 1044 O PRO A 406 7.912 7.453 -6.608 1.00 0.17 O ATOM 1045 CB PRO A 406 10.395 8.698 -6.214 1.00 0.20 C ATOM 1046 CG PRO A 406 10.963 7.345 -6.306 1.00 0.19 C ATOM 1047 CD PRO A 406 11.088 6.907 -4.889 1.00 0.18 C ATOM 0 HA PRO A 406 9.229 9.512 -4.543 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.923 9.000 -7.149 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.161 9.441 -5.989 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.314 6.678 -6.874 1.00 0.19 H new ATOM 0 HG3 PRO A 406 11.931 7.352 -6.808 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.072 5.821 -4.797 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.019 7.251 -4.439 1.00 0.18 H new ATOM 1055 N VAL A 407 7.030 8.720 -5.008 1.00 0.17 N ATOM 1056 CA VAL A 407 5.694 8.366 -5.259 1.00 0.17 C ATOM 1057 C VAL A 407 4.927 9.546 -5.816 1.00 0.19 C ATOM 1058 O VAL A 407 5.352 10.697 -5.752 1.00 0.30 O ATOM 1059 CB VAL A 407 5.143 7.871 -3.923 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.854 8.549 -3.560 1.00 0.15 C ATOM 1061 CG2 VAL A 407 5.066 6.351 -3.903 1.00 0.23 C ATOM 0 H VAL A 407 7.136 9.440 -4.293 1.00 0.17 H new ATOM 0 HA VAL A 407 5.602 7.586 -6.015 1.00 0.17 H new ATOM 0 HB VAL A 407 5.841 8.154 -3.135 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.499 8.167 -2.603 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.017 9.624 -3.483 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.109 8.350 -4.330 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.671 6.019 -2.943 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.409 6.009 -4.703 1.00 0.23 H new ATOM 0 HG23 VAL A 407 6.063 5.934 -4.049 1.00 0.23 H new ATOM 1071 N ASN A 408 3.838 9.207 -6.427 1.00 0.19 N ATOM 1072 CA ASN A 408 2.971 10.118 -7.108 1.00 0.21 C ATOM 1073 C ASN A 408 1.679 10.160 -6.355 1.00 0.19 C ATOM 1074 O ASN A 408 0.992 11.173 -6.292 1.00 0.26 O ATOM 1075 CB ASN A 408 2.786 9.527 -8.477 1.00 0.34 C ATOM 1076 CG ASN A 408 4.118 9.272 -9.096 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.628 8.104 -8.795 1.00 1.84 O flip ATOM 1078 ND2 ASN A 408 4.686 10.103 -9.808 1.00 1.01 N flip ATOM 0 H ASN A 408 3.512 8.241 -6.468 1.00 0.19 H new ATOM 0 HA ASN A 408 3.357 11.135 -7.177 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.221 8.597 -8.409 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.207 10.207 -9.102 1.00 0.34 H new ATOM 0 HD21 ASN A 408 4.236 10.997 -10.007 1.00 1.01 H new ATOM 0 HD22 ASN A 408 5.605 9.897 -10.198 1.00 1.01 H new ATOM 1085 N TYR A 409 1.386 9.023 -5.770 1.00 0.15 N ATOM 1086 CA TYR A 409 0.222 8.870 -4.907 1.00 0.15 C ATOM 1087 C TYR A 409 0.569 8.075 -3.670 1.00 0.14 C ATOM 1088 O TYR A 409 0.939 6.904 -3.749 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.934 8.216 -5.633 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.407 9.021 -6.807 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -2.005 10.253 -6.610 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.232 8.571 -8.104 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.427 11.017 -7.670 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.648 9.330 -9.175 1.00 0.34 C ATOM 1095 CZ TYR A 409 -2.246 10.555 -8.956 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.669 11.312 -10.023 1.00 0.41 O ATOM 0 H TYR A 409 1.942 8.174 -5.874 1.00 0.15 H new ATOM 0 HA TYR A 409 -0.089 9.872 -4.610 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.631 7.226 -5.974 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.761 8.074 -4.938 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -2.142 10.621 -5.604 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.764 7.613 -8.278 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.898 11.974 -7.497 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.507 8.968 -10.183 1.00 0.34 H new ATOM 0 HH TYR A 409 -2.267 10.968 -10.848 1.00 0.41 H new ATOM 1106 N TRP A 410 0.445 8.732 -2.540 1.00 0.13 N ATOM 1107 CA TRP A 410 0.785 8.167 -1.251 1.00 0.11 C ATOM 1108 C TRP A 410 -0.373 8.256 -0.300 1.00 0.10 C ATOM 1109 O TRP A 410 -1.019 9.296 -0.163 1.00 0.12 O ATOM 1110 CB TRP A 410 1.964 8.923 -0.658 1.00 0.12 C ATOM 1111 CG TRP A 410 2.417 8.461 0.692 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.791 9.266 1.712 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.560 7.116 1.169 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.146 8.524 2.797 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.025 7.194 2.493 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.339 5.864 0.613 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.278 6.056 3.262 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.592 4.742 1.366 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.061 4.843 2.680 1.00 0.11 C ATOM 0 H TRP A 410 0.099 9.690 -2.488 1.00 0.13 H new ATOM 0 HA TRP A 410 1.041 7.118 -1.399 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.804 8.849 -1.348 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.699 9.978 -0.591 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.806 10.345 1.672 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.453 8.899 3.694 1.00 0.13 H new ATOM 0 HE3 TRP A 410 1.973 5.772 -0.399 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.632 6.134 4.279 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.426 3.766 0.936 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.255 3.943 3.244 1.00 0.11 H new ATOM 1130 N MET A 411 -0.613 7.165 0.365 1.00 0.09 N ATOM 1131 CA MET A 411 -1.592 7.131 1.406 1.00 0.10 C ATOM 1132 C MET A 411 -1.065 6.411 2.638 1.00 0.09 C ATOM 1133 O MET A 411 -1.257 5.207 2.791 1.00 0.10 O ATOM 1134 CB MET A 411 -2.828 6.463 0.877 1.00 0.12 C ATOM 1135 CG MET A 411 -3.830 7.458 0.353 1.00 0.14 C ATOM 1136 SD MET A 411 -4.632 6.881 -1.142 1.00 0.41 S ATOM 1137 CE MET A 411 -5.050 5.231 -0.645 1.00 0.13 C ATOM 0 H MET A 411 -0.137 6.278 0.201 1.00 0.09 H new ATOM 0 HA MET A 411 -1.829 8.149 1.714 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.553 5.772 0.080 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.286 5.870 1.669 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.583 7.650 1.117 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.329 8.405 0.153 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.414 4.672 -1.507 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.166 4.738 -0.240 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.827 5.267 0.118 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.378 7.138 3.526 1.00 0.09 N ATOM 1148 CA PRO A 412 0.179 6.571 4.755 1.00 0.09 C ATOM 1149 C PRO A 412 -0.897 6.275 5.760 1.00 0.09 C ATOM 1150 O PRO A 412 -1.856 7.031 5.926 1.00 0.09 O ATOM 1151 CB PRO A 412 1.068 7.693 5.275 1.00 0.10 C ATOM 1152 CG PRO A 412 0.380 8.918 4.813 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.095 8.581 3.426 1.00 0.11 C ATOM 0 HA PRO A 412 0.700 5.630 4.581 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.155 7.666 6.361 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.079 7.624 4.873 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.453 9.176 5.466 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.055 9.774 4.805 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.983 9.150 3.152 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.665 8.794 2.674 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.736 5.145 6.398 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.738 4.616 7.284 1.00 0.10 C ATOM 1163 C ILE A 413 -1.156 4.328 8.655 1.00 0.14 C ATOM 1164 O ILE A 413 -1.882 4.051 9.608 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.304 3.341 6.694 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.258 2.225 6.720 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.746 3.629 5.283 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.616 1.051 5.847 1.00 0.11 C ATOM 0 H ILE A 413 0.098 4.564 6.317 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.528 5.358 7.398 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.155 3.003 7.285 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.298 2.629 6.398 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -1.130 1.880 7.746 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.158 2.723 4.839 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.509 4.407 5.292 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -1.892 3.966 4.696 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.832 0.297 5.912 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.560 0.623 6.183 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.715 1.383 4.814 1.00 0.11 H new ATOM 1180 N ASP A 414 0.165 4.348 8.725 1.00 0.15 N ATOM 1181 CA ASP A 414 0.868 4.224 9.990 1.00 0.22 C ATOM 1182 C ASP A 414 1.968 5.283 10.067 1.00 0.21 C ATOM 1183 O ASP A 414 2.276 5.919 9.058 1.00 0.22 O ATOM 1184 CB ASP A 414 1.424 2.802 10.159 1.00 0.31 C ATOM 1185 CG ASP A 414 2.935 2.755 10.222 1.00 0.88 C ATOM 1186 OD1 ASP A 414 3.593 3.064 9.213 1.00 1.23 O1- ATOM 1187 OD2 ASP A 414 3.477 2.440 11.299 1.00 1.59 O ATOM 0 H ASP A 414 0.775 4.450 7.914 1.00 0.15 H new ATOM 0 HA ASP A 414 0.175 4.395 10.814 1.00 0.22 H new ATOM 0 HB2 ASP A 414 1.015 2.365 11.070 1.00 0.31 H new ATOM 0 HB3 ASP A 414 1.082 2.184 9.328 1.00 0.31 H new ATOM 1192 N TRP A 415 2.563 5.468 11.237 1.00 0.24 N ATOM 1193 CA TRP A 415 3.552 6.524 11.427 1.00 0.25 C ATOM 1194 C TRP A 415 4.998 6.025 11.354 1.00 0.27 C ATOM 1195 O TRP A 415 5.913 6.744 11.756 1.00 0.31 O ATOM 1196 CB TRP A 415 3.310 7.280 12.733 1.00 0.28 C ATOM 1197 CG TRP A 415 2.256 8.336 12.610 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.462 9.679 12.477 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.838 8.143 12.587 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.259 10.333 12.386 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.247 9.412 12.445 1.00 0.28 C ATOM 1202 CE3 TRP A 415 0.007 7.025 12.673 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.131 9.587 12.387 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.361 7.207 12.613 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.916 8.478 12.472 1.00 0.27 C ATOM 0 H TRP A 415 2.380 4.904 12.067 1.00 0.24 H new ATOM 0 HA TRP A 415 3.418 7.210 10.590 1.00 0.25 H new ATOM 0 HB2 TRP A 415 3.018 6.571 13.508 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.243 7.741 13.058 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.430 10.157 12.448 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.138 11.341 12.290 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.426 6.036 12.784 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.564 10.570 12.278 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -2.013 6.348 12.677 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -2.990 8.585 12.429 1.00 0.27 H new ATOM 1216 N THR A 416 5.233 4.825 10.850 1.00 0.27 N ATOM 1217 CA THR A 416 6.609 4.386 10.659 1.00 0.32 C ATOM 1218 C THR A 416 6.960 4.581 9.209 1.00 0.30 C ATOM 1219 O THR A 416 8.114 4.818 8.841 1.00 0.35 O ATOM 1220 CB THR A 416 6.842 2.909 11.033 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.909 2.060 10.352 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.738 2.691 12.535 1.00 0.44 C ATOM 0 H THR A 416 4.516 4.155 10.573 1.00 0.27 H new ATOM 0 HA THR A 416 7.239 4.979 11.322 1.00 0.32 H new ATOM 0 HB THR A 416 7.853 2.650 10.720 1.00 0.40 H new ATOM 0 HG1 THR A 416 5.106 1.948 10.903 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.908 1.639 12.763 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.487 3.298 13.043 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.744 2.980 12.877 1.00 0.44 H new ATOM 1230 N GLY A 417 5.925 4.515 8.398 1.00 0.24 N ATOM 1231 CA GLY A 417 6.064 4.781 7.004 1.00 0.24 C ATOM 1232 C GLY A 417 5.358 3.772 6.149 1.00 0.19 C ATOM 1233 O GLY A 417 5.776 3.493 5.025 1.00 0.20 O ATOM 0 H GLY A 417 4.978 4.277 8.694 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.671 5.774 6.787 1.00 0.24 H new ATOM 0 HA3 GLY A 417 7.123 4.794 6.745 1.00 0.24 H new ATOM 1237 N VAL A 418 4.287 3.212 6.676 1.00 0.15 N ATOM 1238 CA VAL A 418 3.505 2.272 5.923 1.00 0.11 C ATOM 1239 C VAL A 418 2.238 2.905 5.386 1.00 0.09 C ATOM 1240 O VAL A 418 1.639 3.782 6.014 1.00 0.09 O ATOM 1241 CB VAL A 418 3.157 1.020 6.751 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.155 0.140 6.027 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.413 0.239 7.018 1.00 0.17 C ATOM 0 H VAL A 418 3.945 3.395 7.619 1.00 0.15 H new ATOM 0 HA VAL A 418 4.122 1.962 5.080 1.00 0.11 H new ATOM 0 HB VAL A 418 2.707 1.342 7.690 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.931 -0.735 6.638 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.239 0.703 5.849 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.575 -0.181 5.074 1.00 0.14 H new ATOM 0 HG21 VAL A 418 4.172 -0.648 7.604 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.862 -0.062 6.072 1.00 0.17 H new ATOM 0 HG23 VAL A 418 5.117 0.860 7.573 1.00 0.17 H new ATOM 1253 N GLY A 419 1.845 2.445 4.217 1.00 0.10 N ATOM 1254 CA GLY A 419 0.658 2.948 3.574 1.00 0.08 C ATOM 1255 C GLY A 419 0.485 2.363 2.195 1.00 0.08 C ATOM 1256 O GLY A 419 1.162 1.394 1.840 1.00 0.09 O ATOM 0 H GLY A 419 2.336 1.720 3.694 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.215 2.711 4.183 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.713 4.034 3.505 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.398 2.953 1.409 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.590 2.536 0.051 1.00 0.09 C ATOM 1262 C ILE A 420 0.059 3.556 -0.865 1.00 0.07 C ATOM 1263 O ILE A 420 -0.013 4.755 -0.602 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.092 2.411 -0.276 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.471 0.963 -0.521 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.452 3.218 -1.487 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.634 0.132 0.725 1.00 0.11 C ATOM 0 H ILE A 420 -0.993 3.728 1.701 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.133 1.557 -0.095 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.642 2.792 0.585 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.405 0.937 -1.083 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.708 0.504 -1.149 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.517 3.110 -1.693 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.222 4.268 -1.306 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.879 2.864 -2.344 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -2.905 -0.887 0.450 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.696 0.121 1.280 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.419 0.560 1.348 1.00 0.11 H new ATOM 1279 N HIS A 421 0.688 3.102 -1.922 1.00 0.07 N ATOM 1280 CA HIS A 421 1.311 4.024 -2.853 1.00 0.07 C ATOM 1281 C HIS A 421 1.337 3.460 -4.243 1.00 0.09 C ATOM 1282 O HIS A 421 1.131 2.272 -4.459 1.00 0.11 O ATOM 1283 CB HIS A 421 2.750 4.347 -2.471 1.00 0.09 C ATOM 1284 CG HIS A 421 3.646 3.163 -2.393 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.210 2.572 -3.495 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.130 2.511 -1.316 1.00 0.13 C ATOM 1287 CE1 HIS A 421 5.032 1.604 -3.059 1.00 0.15 C ATOM 1288 NE2 HIS A 421 5.015 1.527 -1.742 1.00 0.15 N ATOM 0 H HIS A 421 0.784 2.115 -2.161 1.00 0.07 H new ATOM 0 HA HIS A 421 0.707 4.931 -2.814 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.158 5.048 -3.199 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.752 4.853 -1.506 1.00 0.09 H new ATOM 0 HD2 HIS A 421 3.872 2.720 -0.288 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.628 0.972 -3.701 1.00 0.15 H new ATOM 0 HE2 HIS A 421 5.542 0.879 -1.157 1.00 0.15 H new ATOM 1296 N ASP A 422 1.624 4.338 -5.174 1.00 0.11 N ATOM 1297 CA ASP A 422 1.864 3.972 -6.522 1.00 0.14 C ATOM 1298 C ASP A 422 3.344 3.740 -6.671 1.00 0.19 C ATOM 1299 O ASP A 422 4.155 4.490 -6.133 1.00 0.29 O ATOM 1300 CB ASP A 422 1.379 5.088 -7.430 1.00 0.20 C ATOM 1301 CG ASP A 422 2.455 6.046 -7.872 1.00 0.31 C ATOM 1302 OD1 ASP A 422 2.922 6.845 -7.036 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 2.864 5.973 -9.047 1.00 0.42 O ATOM 0 H ASP A 422 1.695 5.340 -4.998 1.00 0.11 H new ATOM 0 HA ASP A 422 1.329 3.063 -6.797 1.00 0.14 H new ATOM 0 HB2 ASP A 422 0.918 4.646 -8.314 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.601 5.649 -6.912 1.00 0.20 H new ATOM 1308 N SER A 423 3.704 2.692 -7.345 1.00 0.15 N ATOM 1309 CA SER A 423 5.099 2.366 -7.459 1.00 0.19 C ATOM 1310 C SER A 423 5.433 2.107 -8.890 1.00 0.15 C ATOM 1311 O SER A 423 5.135 1.064 -9.466 1.00 0.16 O ATOM 1312 CB SER A 423 5.427 1.148 -6.607 1.00 0.26 C ATOM 1313 OG SER A 423 6.811 1.048 -6.374 1.00 1.48 O ATOM 0 H SER A 423 3.065 2.054 -7.820 1.00 0.15 H new ATOM 0 HA SER A 423 5.696 3.205 -7.100 1.00 0.19 H new ATOM 0 HB2 SER A 423 4.899 1.214 -5.656 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.073 0.246 -7.106 1.00 0.26 H new ATOM 0 HG SER A 423 7.113 1.826 -5.861 1.00 1.48 H new ATOM 1319 N ASP A 424 6.050 3.111 -9.445 1.00 0.13 N ATOM 1320 CA ASP A 424 6.426 3.114 -10.831 1.00 0.13 C ATOM 1321 C ASP A 424 7.858 2.628 -11.008 1.00 0.12 C ATOM 1322 O ASP A 424 8.220 2.045 -12.032 1.00 0.15 O ATOM 1323 CB ASP A 424 6.203 4.510 -11.358 1.00 0.15 C ATOM 1324 CG ASP A 424 6.804 4.754 -12.725 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.128 4.465 -13.734 1.00 0.34 O ATOM 1326 OD2 ASP A 424 7.946 5.253 -12.801 1.00 0.35 O1- ATOM 0 H ASP A 424 6.309 3.960 -8.943 1.00 0.13 H new ATOM 0 HA ASP A 424 5.815 2.419 -11.406 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.131 4.703 -11.404 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.626 5.226 -10.653 1.00 0.15 H new ATOM 1331 N TRP A 425 8.668 2.903 -9.977 1.00 0.12 N ATOM 1332 CA TRP A 425 10.054 2.445 -9.905 1.00 0.14 C ATOM 1333 C TRP A 425 10.077 0.942 -9.731 1.00 0.15 C ATOM 1334 O TRP A 425 11.048 0.268 -10.069 1.00 0.18 O ATOM 1335 CB TRP A 425 10.749 3.103 -8.707 1.00 0.14 C ATOM 1336 CG TRP A 425 10.311 2.602 -7.376 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.751 1.507 -6.707 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.358 3.224 -6.546 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.106 1.407 -5.497 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.246 2.461 -5.377 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.587 4.359 -6.689 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.383 2.809 -4.351 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.743 4.711 -5.681 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.640 3.942 -4.520 1.00 0.15 C ATOM 0 H TRP A 425 8.375 3.452 -9.169 1.00 0.12 H new ATOM 0 HA TRP A 425 10.574 2.717 -10.823 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.824 2.951 -8.801 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.575 4.178 -8.750 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.497 0.816 -7.071 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.246 0.670 -4.806 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.652 4.958 -7.585 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.301 2.210 -3.456 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.141 5.602 -5.781 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.959 4.250 -3.740 1.00 0.15 H new ATOM 1355 N GLN A 426 9.005 0.459 -9.131 1.00 0.15 N ATOM 1356 CA GLN A 426 8.837 -0.945 -8.795 1.00 0.17 C ATOM 1357 C GLN A 426 7.618 -1.482 -9.476 1.00 0.18 C ATOM 1358 O GLN A 426 6.550 -1.657 -8.892 1.00 0.28 O ATOM 1359 CB GLN A 426 8.653 -1.040 -7.330 1.00 0.18 C ATOM 1360 CG GLN A 426 9.817 -1.650 -6.585 1.00 0.58 C ATOM 1361 CD GLN A 426 9.467 -2.976 -5.953 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.008 -3.330 -4.914 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.565 -3.725 -6.573 1.00 0.22 N ATOM 0 H GLN A 426 8.212 1.040 -8.858 1.00 0.15 H new ATOM 0 HA GLN A 426 9.707 -1.518 -9.116 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.470 -0.041 -6.935 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.760 -1.631 -7.127 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.652 -1.788 -7.272 1.00 0.58 H new ATOM 0 HG3 GLN A 426 10.151 -0.959 -5.811 1.00 0.58 H new ATOM 0 HE21 GLN A 426 8.136 -3.395 -7.438 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.300 -4.631 -6.185 1.00 0.22 H new ATOM 1372 N PRO A 427 7.837 -1.779 -10.725 1.00 0.16 N ATOM 1373 CA PRO A 427 6.821 -1.993 -11.716 1.00 0.18 C ATOM 1374 C PRO A 427 6.255 -3.394 -11.723 1.00 0.16 C ATOM 1375 O PRO A 427 5.514 -3.769 -12.635 1.00 0.18 O ATOM 1376 CB PRO A 427 7.615 -1.740 -12.976 1.00 0.23 C ATOM 1377 CG PRO A 427 8.898 -2.364 -12.658 1.00 0.23 C ATOM 1378 CD PRO A 427 9.164 -1.892 -11.292 1.00 0.19 C ATOM 0 HA PRO A 427 5.941 -1.368 -11.564 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.147 -2.192 -13.851 1.00 0.23 H new ATOM 0 HB3 PRO A 427 7.720 -0.675 -13.185 1.00 0.23 H new ATOM 0 HG2 PRO A 427 8.841 -3.451 -12.706 1.00 0.23 H new ATOM 0 HG3 PRO A 427 9.680 -2.055 -13.351 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.783 -2.595 -10.735 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.687 -0.936 -11.290 1.00 0.19 H new ATOM 1386 N GLU A 428 6.626 -4.172 -10.726 1.00 0.14 N ATOM 1387 CA GLU A 428 6.124 -5.512 -10.598 1.00 0.14 C ATOM 1388 C GLU A 428 5.275 -5.607 -9.356 1.00 0.12 C ATOM 1389 O GLU A 428 5.535 -4.934 -8.370 1.00 0.15 O ATOM 1390 CB GLU A 428 7.256 -6.504 -10.497 1.00 0.17 C ATOM 1391 CG GLU A 428 6.942 -7.842 -11.082 1.00 0.22 C ATOM 1392 CD GLU A 428 8.170 -8.584 -11.563 1.00 0.64 C ATOM 1393 OE1 GLU A 428 8.881 -9.174 -10.728 1.00 0.98 O ATOM 1394 OE2 GLU A 428 8.431 -8.580 -12.784 1.00 1.10 O1- ATOM 0 H GLU A 428 7.277 -3.891 -9.993 1.00 0.14 H new ATOM 0 HA GLU A 428 5.532 -5.746 -11.483 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.131 -6.094 -11.001 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.523 -6.631 -9.448 1.00 0.17 H new ATOM 0 HG2 GLU A 428 6.429 -8.447 -10.334 1.00 0.22 H new ATOM 0 HG3 GLU A 428 6.252 -7.714 -11.916 1.00 0.22 H new ATOM 1401 N TYR A 429 4.287 -6.465 -9.438 1.00 0.11 N ATOM 1402 CA TYR A 429 3.230 -6.613 -8.452 1.00 0.10 C ATOM 1403 C TYR A 429 2.625 -7.977 -8.639 1.00 0.10 C ATOM 1404 O TYR A 429 2.359 -8.392 -9.765 1.00 0.14 O ATOM 1405 CB TYR A 429 2.114 -5.618 -8.680 1.00 0.13 C ATOM 1406 CG TYR A 429 2.485 -4.366 -9.430 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.937 -3.247 -8.755 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.381 -4.310 -10.810 1.00 0.23 C ATOM 1409 CE1 TYR A 429 3.282 -2.096 -9.439 1.00 0.25 C ATOM 1410 CE2 TYR A 429 2.720 -3.169 -11.503 1.00 0.29 C ATOM 1411 CZ TYR A 429 3.170 -2.065 -10.816 1.00 0.30 C ATOM 1412 OH TYR A 429 3.515 -0.929 -11.512 1.00 0.38 O ATOM 0 H TYR A 429 4.188 -7.108 -10.224 1.00 0.11 H new ATOM 0 HA TYR A 429 3.659 -6.460 -7.462 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.313 -6.119 -9.224 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.708 -5.329 -7.710 1.00 0.13 H new ATOM 0 HD1 TYR A 429 3.022 -3.272 -7.679 1.00 0.19 H new ATOM 0 HD2 TYR A 429 2.028 -5.175 -11.352 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.636 -1.229 -8.902 1.00 0.25 H new ATOM 0 HE2 TYR A 429 2.633 -3.141 -12.579 1.00 0.29 H new ATOM 0 HH TYR A 429 3.377 -1.078 -12.471 1.00 0.38 H new ATOM 1422 N GLY A 430 2.473 -8.705 -7.578 1.00 0.10 N ATOM 1423 CA GLY A 430 1.893 -10.012 -7.703 1.00 0.12 C ATOM 1424 C GLY A 430 2.481 -10.956 -6.709 1.00 0.13 C ATOM 1425 O GLY A 430 3.214 -10.514 -5.832 1.00 0.13 O ATOM 0 H GLY A 430 2.735 -8.428 -6.632 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.815 -9.950 -7.557 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.057 -10.392 -8.711 1.00 0.12 H new ATOM 1429 N GLY A 431 2.219 -12.253 -6.915 1.00 0.16 N ATOM 1430 CA GLY A 431 2.793 -13.321 -6.098 1.00 0.20 C ATOM 1431 C GLY A 431 4.156 -12.974 -5.555 1.00 0.17 C ATOM 1432 O GLY A 431 4.939 -12.315 -6.244 1.00 0.16 O ATOM 0 H GLY A 431 1.602 -12.588 -7.655 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.121 -13.538 -5.268 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.866 -14.230 -6.695 1.00 0.20 H new ATOM 1436 N ASP A 432 4.510 -13.547 -4.414 1.00 0.18 N ATOM 1437 CA ASP A 432 5.337 -12.844 -3.448 1.00 0.18 C ATOM 1438 C ASP A 432 6.609 -12.352 -4.061 1.00 0.18 C ATOM 1439 O ASP A 432 7.591 -13.063 -4.265 1.00 0.19 O ATOM 1440 CB ASP A 432 5.690 -13.765 -2.287 1.00 0.22 C ATOM 1441 CG ASP A 432 4.509 -14.525 -1.707 1.00 0.25 C ATOM 1442 OD1 ASP A 432 3.998 -15.453 -2.373 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.108 -14.219 -0.565 1.00 0.33 O1- ATOM 0 H ASP A 432 4.239 -14.490 -4.137 1.00 0.18 H new ATOM 0 HA ASP A 432 4.759 -11.989 -3.096 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.439 -14.483 -2.623 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.149 -13.172 -1.496 1.00 0.22 H new ATOM 1448 N LEU A 433 6.524 -11.077 -4.331 1.00 0.16 N ATOM 1449 CA LEU A 433 7.586 -10.287 -4.848 1.00 0.15 C ATOM 1450 C LEU A 433 8.248 -9.592 -3.707 1.00 0.14 C ATOM 1451 O LEU A 433 9.439 -9.323 -3.759 1.00 0.15 O ATOM 1452 CB LEU A 433 6.973 -9.324 -5.822 1.00 0.14 C ATOM 1453 CG LEU A 433 6.628 -9.948 -7.159 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.756 -9.015 -7.956 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.896 -10.297 -7.912 1.00 0.18 C ATOM 0 H LEU A 433 5.666 -10.544 -4.186 1.00 0.16 H new ATOM 0 HA LEU A 433 8.346 -10.876 -5.361 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.068 -8.903 -5.383 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.663 -8.496 -5.984 1.00 0.14 H new ATOM 0 HG LEU A 433 6.070 -10.870 -6.993 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.514 -9.473 -8.915 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.836 -8.818 -7.406 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.286 -8.078 -8.125 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.638 -10.745 -8.872 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.480 -9.392 -8.079 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.483 -11.005 -7.327 1.00 0.18 H new ATOM 1467 N TRP A 434 7.469 -9.281 -2.693 1.00 0.14 N ATOM 1468 CA TRP A 434 7.960 -8.513 -1.566 1.00 0.14 C ATOM 1469 C TRP A 434 9.297 -9.037 -1.079 1.00 0.17 C ATOM 1470 O TRP A 434 10.216 -8.262 -0.807 1.00 0.22 O ATOM 1471 CB TRP A 434 6.927 -8.466 -0.439 1.00 0.15 C ATOM 1472 CG TRP A 434 6.353 -9.793 -0.007 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.517 -10.599 -0.719 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.522 -10.431 1.265 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.184 -11.707 0.022 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.788 -11.623 1.241 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.232 -10.117 2.415 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.746 -12.492 2.327 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.190 -10.973 3.493 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.452 -12.151 3.443 1.00 0.19 C ATOM 0 H TRP A 434 6.487 -9.549 -2.625 1.00 0.14 H new ATOM 0 HA TRP A 434 8.120 -7.490 -1.906 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.387 -7.993 0.428 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.105 -7.823 -0.754 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.167 -10.397 -1.720 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.582 -12.469 -0.290 1.00 0.18 H new ATOM 0 HE3 TRP A 434 7.813 -9.208 2.464 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.173 -13.407 2.287 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.738 -10.726 4.390 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.438 -12.806 4.302 1.00 0.19 H new ATOM 1491 N LYS A 435 9.424 -10.354 -1.096 1.00 0.17 N ATOM 1492 CA LYS A 435 10.584 -11.031 -0.575 1.00 0.19 C ATOM 1493 C LYS A 435 11.846 -10.667 -1.302 1.00 0.20 C ATOM 1494 O LYS A 435 12.942 -10.756 -0.754 1.00 0.22 O ATOM 1495 CB LYS A 435 10.360 -12.496 -0.687 1.00 0.20 C ATOM 1496 CG LYS A 435 9.260 -12.915 0.201 1.00 0.22 C ATOM 1497 CD LYS A 435 9.111 -14.386 0.184 1.00 0.26 C ATOM 1498 CE LYS A 435 7.848 -14.732 0.873 1.00 0.35 C ATOM 1499 NZ LYS A 435 7.912 -16.032 1.589 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.715 -10.981 -1.476 1.00 0.17 H new ATOM 0 HA LYS A 435 10.714 -10.723 0.463 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.123 -12.757 -1.719 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.272 -13.031 -0.424 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.457 -12.575 1.218 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.329 -12.446 -0.117 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.098 -14.755 -0.842 1.00 0.26 H new ATOM 0 HD3 LYS A 435 9.957 -14.859 0.682 1.00 0.26 H new ATOM 0 HE2 LYS A 435 7.602 -13.944 1.585 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.040 -14.766 0.142 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 6.999 -16.219 2.051 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 8.119 -16.792 0.910 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 8.663 -15.996 2.308 1.00 0.64 H new ATOM 1513 N THR A 436 11.688 -10.251 -2.524 1.00 0.19 N ATOM 1514 CA THR A 436 12.818 -9.961 -3.355 1.00 0.21 C ATOM 1515 C THR A 436 12.886 -8.475 -3.640 1.00 0.19 C ATOM 1516 O THR A 436 13.959 -7.869 -3.656 1.00 0.23 O ATOM 1517 CB THR A 436 12.714 -10.745 -4.672 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.601 -10.279 -5.448 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.523 -12.214 -4.366 1.00 0.25 C ATOM 0 H THR A 436 10.782 -10.104 -2.969 1.00 0.19 H new ATOM 0 HA THR A 436 13.727 -10.261 -2.834 1.00 0.21 H new ATOM 0 HB THR A 436 13.631 -10.596 -5.242 1.00 0.22 H new ATOM 0 HG1 THR A 436 10.862 -10.041 -4.850 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.449 -12.773 -5.299 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.374 -12.579 -3.790 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.609 -12.349 -3.788 1.00 0.25 H new ATOM 1527 N ARG A 437 11.713 -7.888 -3.816 1.00 0.16 N ATOM 1528 CA ARG A 437 11.617 -6.528 -4.302 1.00 0.15 C ATOM 1529 C ARG A 437 11.803 -5.512 -3.190 1.00 0.17 C ATOM 1530 O ARG A 437 12.148 -4.358 -3.441 1.00 0.20 O ATOM 1531 CB ARG A 437 10.275 -6.359 -4.968 1.00 0.14 C ATOM 1532 CG ARG A 437 10.008 -7.396 -6.009 1.00 0.15 C ATOM 1533 CD ARG A 437 9.269 -6.814 -7.191 1.00 0.17 C ATOM 1534 NE ARG A 437 10.064 -5.783 -7.858 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.580 -5.896 -9.086 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.382 -6.990 -9.811 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.317 -4.914 -9.585 1.00 0.36 N ATOM 0 H ARG A 437 10.816 -8.335 -3.628 1.00 0.16 H new ATOM 0 HA ARG A 437 12.418 -6.347 -5.018 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.492 -6.401 -4.211 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.224 -5.371 -5.425 1.00 0.14 H new ATOM 0 HG2 ARG A 437 10.951 -7.828 -6.344 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.422 -8.207 -5.575 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.029 -7.607 -7.899 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.323 -6.388 -6.857 1.00 0.17 H new ATOM 0 HE ARG A 437 10.237 -4.916 -7.350 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.830 -7.759 -9.433 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.782 -7.061 -10.746 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.489 -4.074 -9.032 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.712 -4.998 -10.522 1.00 0.36 H new ATOM 1551 N GLY A 438 11.635 -5.952 -1.969 1.00 0.16 N ATOM 1552 CA GLY A 438 12.108 -5.161 -0.848 1.00 0.17 C ATOM 1553 C GLY A 438 11.254 -3.947 -0.485 1.00 0.17 C ATOM 1554 O GLY A 438 11.801 -2.880 -0.202 1.00 0.21 O ATOM 0 H GLY A 438 11.185 -6.833 -1.722 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.176 -5.808 0.026 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.118 -4.818 -1.070 1.00 0.17 H new ATOM 1558 N SER A 439 9.934 -4.082 -0.482 1.00 0.15 N ATOM 1559 CA SER A 439 9.068 -2.994 -0.026 1.00 0.16 C ATOM 1560 C SER A 439 8.927 -3.077 1.497 1.00 0.14 C ATOM 1561 O SER A 439 8.655 -4.130 2.025 1.00 0.20 O ATOM 1562 CB SER A 439 7.694 -3.142 -0.671 1.00 0.22 C ATOM 1563 OG SER A 439 7.808 -3.278 -2.077 1.00 0.47 O ATOM 0 H SER A 439 9.441 -4.922 -0.785 1.00 0.15 H new ATOM 0 HA SER A 439 9.499 -2.033 -0.305 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.185 -4.013 -0.257 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.081 -2.272 -0.434 1.00 0.22 H new ATOM 0 HG SER A 439 7.320 -2.551 -2.517 1.00 0.47 H new ATOM 1569 N HIS A 440 9.107 -1.974 2.206 1.00 0.14 N ATOM 1570 CA HIS A 440 9.204 -2.017 3.667 1.00 0.16 C ATOM 1571 C HIS A 440 7.876 -1.652 4.301 1.00 0.16 C ATOM 1572 O HIS A 440 7.737 -0.599 4.922 1.00 0.21 O ATOM 1573 CB HIS A 440 10.281 -1.061 4.192 1.00 0.22 C ATOM 1574 CG HIS A 440 11.649 -1.316 3.677 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.045 -0.948 2.423 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.734 -1.867 4.269 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.303 -1.255 2.259 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.755 -1.817 3.359 1.00 0.38 N ATOM 0 H HIS A 440 9.189 -1.041 1.802 1.00 0.14 H new ATOM 0 HA HIS A 440 9.477 -3.037 3.937 1.00 0.16 H new ATOM 0 HB2 HIS A 440 9.996 -0.041 3.935 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.301 -1.122 5.280 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.785 -2.270 5.270 1.00 0.30 H new ATOM 0 HE1 HIS A 440 13.880 -1.076 1.364 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.705 -2.158 3.508 1.00 0.38 H new ATOM 1587 N GLY A 441 6.905 -2.536 4.130 1.00 0.15 N ATOM 1588 CA GLY A 441 5.591 -2.325 4.689 1.00 0.16 C ATOM 1589 C GLY A 441 4.737 -1.508 3.756 1.00 0.15 C ATOM 1590 O GLY A 441 3.546 -1.341 3.964 1.00 0.18 O ATOM 0 H GLY A 441 7.009 -3.406 3.607 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.113 -3.286 4.879 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.677 -1.817 5.649 1.00 0.16 H new ATOM 1594 N CYS A 442 5.363 -1.013 2.718 1.00 0.14 N ATOM 1595 CA CYS A 442 4.707 -0.154 1.761 1.00 0.16 C ATOM 1596 C CYS A 442 4.180 -0.959 0.587 1.00 0.18 C ATOM 1597 O CYS A 442 4.893 -1.760 -0.020 1.00 0.28 O ATOM 1598 CB CYS A 442 5.699 0.894 1.303 1.00 0.20 C ATOM 1599 SG CYS A 442 7.264 0.223 0.692 1.00 0.83 S ATOM 0 H CYS A 442 6.345 -1.194 2.511 1.00 0.14 H new ATOM 0 HA CYS A 442 3.850 0.333 2.225 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.241 1.491 0.514 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.906 1.569 2.134 1.00 0.20 H new ATOM 0 HG CYS A 442 8.040 1.199 0.324 1.00 0.83 H new ATOM 1605 N ILE A 443 2.911 -0.749 0.297 1.00 0.13 N ATOM 1606 CA ILE A 443 2.206 -1.534 -0.691 1.00 0.12 C ATOM 1607 C ILE A 443 2.360 -0.923 -2.061 1.00 0.12 C ATOM 1608 O ILE A 443 1.869 0.174 -2.329 1.00 0.15 O ATOM 1609 CB ILE A 443 0.711 -1.691 -0.336 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.535 -2.703 0.803 1.00 0.10 C ATOM 1611 CG2 ILE A 443 -0.090 -2.123 -1.561 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.288 -2.377 2.064 1.00 0.10 C ATOM 0 H ILE A 443 2.342 -0.029 0.741 1.00 0.13 H new ATOM 0 HA ILE A 443 2.650 -2.529 -0.697 1.00 0.12 H new ATOM 0 HB ILE A 443 0.334 -0.724 -0.003 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.526 -2.779 1.041 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.854 -3.684 0.450 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.141 -2.228 -1.290 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.009 -1.372 -2.344 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.288 -3.078 -1.925 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.101 -3.150 2.810 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.356 -2.332 1.849 1.00 0.10 H new ATOM 0 HD13 ILE A 443 0.954 -1.413 2.448 1.00 0.10 H new ATOM 1624 N ASN A 444 3.063 -1.644 -2.914 1.00 0.14 N ATOM 1625 CA ASN A 444 3.347 -1.173 -4.255 1.00 0.16 C ATOM 1626 C ASN A 444 2.153 -1.360 -5.167 1.00 0.11 C ATOM 1627 O ASN A 444 2.015 -2.391 -5.819 1.00 0.12 O ATOM 1628 CB ASN A 444 4.568 -1.872 -4.854 1.00 0.30 C ATOM 1629 CG ASN A 444 5.882 -1.486 -4.192 1.00 0.88 C ATOM 1630 OD1 ASN A 444 5.873 -1.288 -2.883 1.00 1.56 O flip ATOM 1631 ND2 ASN A 444 6.909 -1.385 -4.853 1.00 1.77 N flip ATOM 0 H ASN A 444 3.450 -2.563 -2.700 1.00 0.14 H new ATOM 0 HA ASN A 444 3.566 -0.108 -4.174 1.00 0.16 H new ATOM 0 HB2 ASN A 444 4.434 -2.951 -4.773 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.625 -1.637 -5.917 1.00 0.30 H new ATOM 0 HD21 ASN A 444 6.885 -1.544 -5.860 1.00 1.77 H new ATOM 0 HD22 ASN A 444 7.788 -1.142 -4.396 1.00 1.77 H new ATOM 1638 N THR A 445 1.297 -0.364 -5.198 1.00 0.11 N ATOM 1639 CA THR A 445 0.178 -0.337 -6.103 1.00 0.10 C ATOM 1640 C THR A 445 0.623 0.260 -7.417 1.00 0.11 C ATOM 1641 O THR A 445 1.386 1.224 -7.456 1.00 0.14 O ATOM 1642 CB THR A 445 -0.960 0.486 -5.483 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.233 -0.010 -4.169 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.210 0.419 -6.333 1.00 0.14 C ATOM 0 H THR A 445 1.361 0.453 -4.591 1.00 0.11 H new ATOM 0 HA THR A 445 -0.188 -1.348 -6.283 1.00 0.10 H new ATOM 0 HB THR A 445 -0.650 1.530 -5.430 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.144 -0.369 -4.138 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.998 1.011 -5.868 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.996 0.815 -7.326 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.537 -0.617 -6.418 1.00 0.14 H new ATOM 1652 N PRO A 446 0.197 -0.356 -8.511 1.00 0.09 N ATOM 1653 CA PRO A 446 0.529 0.102 -9.842 1.00 0.08 C ATOM 1654 C PRO A 446 0.155 1.551 -10.026 1.00 0.09 C ATOM 1655 O PRO A 446 -0.928 1.965 -9.648 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.307 -0.775 -10.744 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.540 -2.004 -9.942 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.640 -1.553 -8.532 1.00 0.09 C ATOM 0 HA PRO A 446 1.597 0.036 -10.050 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.246 -0.290 -11.012 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.213 -1.000 -11.675 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.453 -2.509 -10.257 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.277 -2.714 -10.068 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.669 -1.331 -8.251 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.277 -2.312 -7.839 1.00 0.09 H new ATOM 1666 N PRO A 447 1.045 2.328 -10.623 1.00 0.09 N ATOM 1667 CA PRO A 447 0.914 3.786 -10.745 1.00 0.09 C ATOM 1668 C PRO A 447 -0.380 4.203 -11.382 1.00 0.09 C ATOM 1669 O PRO A 447 -0.947 5.250 -11.067 1.00 0.16 O ATOM 1670 CB PRO A 447 2.085 4.110 -11.653 1.00 0.10 C ATOM 1671 CG PRO A 447 3.077 3.125 -11.202 1.00 0.10 C ATOM 1672 CD PRO A 447 2.281 1.865 -11.255 1.00 0.09 C ATOM 0 HA PRO A 447 0.915 4.299 -9.783 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.834 3.989 -12.707 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.434 5.134 -11.524 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.948 3.089 -11.856 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.442 3.339 -10.197 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.123 1.513 -12.274 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.752 1.050 -10.706 1.00 0.09 H new ATOM 1680 N SER A 448 -0.843 3.361 -12.260 1.00 0.08 N ATOM 1681 CA SER A 448 -2.047 3.623 -12.979 1.00 0.09 C ATOM 1682 C SER A 448 -3.262 3.253 -12.132 1.00 0.09 C ATOM 1683 O SER A 448 -4.261 3.969 -12.115 1.00 0.11 O ATOM 1684 CB SER A 448 -2.037 2.845 -14.280 1.00 0.11 C ATOM 1685 OG SER A 448 -1.668 1.495 -14.046 1.00 1.17 O ATOM 0 H SER A 448 -0.394 2.476 -12.495 1.00 0.08 H new ATOM 0 HA SER A 448 -2.109 4.687 -13.206 1.00 0.09 H new ATOM 0 HB2 SER A 448 -3.023 2.884 -14.742 1.00 0.11 H new ATOM 0 HB3 SER A 448 -1.339 3.304 -14.980 1.00 0.11 H new ATOM 0 HG SER A 448 -1.667 1.004 -14.894 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.154 2.146 -11.400 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.240 1.685 -10.549 1.00 0.09 C ATOM 1693 C VAL A 449 -4.290 2.467 -9.239 1.00 0.10 C ATOM 1694 O VAL A 449 -5.347 2.660 -8.649 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.097 0.195 -10.229 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.243 -0.250 -9.338 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -4.051 -0.639 -11.498 1.00 0.10 C ATOM 0 H VAL A 449 -2.324 1.554 -11.382 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.165 1.850 -11.102 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.155 0.044 -9.702 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.138 -1.311 -9.112 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.226 0.322 -8.410 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.190 -0.080 -9.851 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.949 -1.692 -11.238 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.971 -0.492 -12.063 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.199 -0.331 -12.105 1.00 0.10 H new ATOM 1707 N MET A 450 -3.142 2.924 -8.787 1.00 0.10 N ATOM 1708 CA MET A 450 -3.047 3.706 -7.584 1.00 0.11 C ATOM 1709 C MET A 450 -3.719 5.054 -7.783 1.00 0.10 C ATOM 1710 O MET A 450 -4.062 5.745 -6.846 1.00 0.14 O ATOM 1711 CB MET A 450 -1.584 3.866 -7.269 1.00 0.13 C ATOM 1712 CG MET A 450 -1.354 4.583 -5.996 1.00 0.13 C ATOM 1713 SD MET A 450 -2.385 3.969 -4.678 1.00 0.46 S ATOM 1714 CE MET A 450 -2.417 5.440 -3.685 1.00 0.10 C ATOM 0 H MET A 450 -2.248 2.760 -9.249 1.00 0.10 H new ATOM 0 HA MET A 450 -3.554 3.214 -6.754 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.117 2.882 -7.218 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.098 4.408 -8.080 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.307 4.485 -5.711 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.547 5.646 -6.140 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.418 5.583 -3.279 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.704 5.342 -2.866 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.148 6.299 -4.299 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.873 5.404 -9.041 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.536 6.614 -9.471 1.00 0.11 C ATOM 1726 C LYS A 451 -6.029 6.445 -9.420 1.00 0.10 C ATOM 1727 O LYS A 451 -6.799 7.400 -9.364 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.093 6.824 -10.890 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.263 8.220 -11.380 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.183 8.613 -12.349 1.00 0.68 C ATOM 1731 CE LYS A 451 -2.798 7.445 -13.193 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.399 7.827 -14.572 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.530 4.837 -9.816 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.286 7.460 -8.830 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.043 6.545 -10.976 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.655 6.152 -11.538 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.236 8.319 -11.862 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.256 8.905 -10.532 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.532 9.429 -12.982 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.313 8.981 -11.805 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -1.973 6.916 -12.716 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.636 6.749 -13.243 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.143 6.974 -15.108 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -3.193 8.307 -15.043 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -1.581 8.469 -14.532 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.400 5.191 -9.480 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.760 4.764 -9.388 1.00 0.08 C ATOM 1748 C GLU A 452 -8.121 4.756 -7.959 1.00 0.07 C ATOM 1749 O GLU A 452 -9.159 5.235 -7.541 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.858 3.356 -9.917 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.271 3.183 -11.280 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.217 3.590 -12.379 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -9.244 2.913 -12.568 1.00 0.38 O ATOM 1754 OE2 GLU A 452 -7.930 4.592 -13.065 1.00 0.31 O1- ATOM 0 H GLU A 452 -5.740 4.422 -9.598 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.418 5.421 -9.956 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.353 2.682 -9.225 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.907 3.059 -9.943 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.358 3.774 -11.355 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.987 2.140 -11.419 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.221 4.154 -7.235 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.289 4.068 -5.838 1.00 0.05 C ATOM 1763 C LEU A 453 -7.187 5.403 -5.174 1.00 0.05 C ATOM 1764 O LEU A 453 -8.116 5.840 -4.561 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.154 3.268 -5.325 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.306 2.894 -3.895 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.477 1.966 -3.746 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.037 2.281 -3.384 1.00 0.06 C ATOM 0 H LEU A 453 -6.399 3.700 -7.633 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.255 3.615 -5.613 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.056 2.362 -5.923 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.231 3.835 -5.450 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.500 3.784 -3.296 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.591 1.690 -2.698 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.383 2.465 -4.091 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.308 1.069 -4.341 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.160 2.011 -2.335 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.805 1.388 -3.964 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.222 2.998 -3.481 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.033 6.044 -5.257 1.00 0.07 N ATOM 1781 CA PHE A 454 -5.884 7.364 -4.671 1.00 0.08 C ATOM 1782 C PHE A 454 -7.029 8.232 -5.171 1.00 0.09 C ATOM 1783 O PHE A 454 -7.468 9.201 -4.547 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.557 8.027 -5.053 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.218 9.183 -4.150 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.466 8.993 -3.004 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.626 10.464 -4.470 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.133 10.060 -2.194 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.292 11.536 -3.667 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.642 11.297 -2.442 1.00 0.29 C ATOM 0 H PHE A 454 -5.199 5.679 -5.717 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.896 7.260 -3.586 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.757 7.287 -5.009 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.611 8.377 -6.084 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.136 7.999 -2.740 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.214 10.629 -5.361 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.465 9.912 -1.359 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.526 12.544 -3.975 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.549 12.085 -1.709 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.487 7.823 -6.353 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.570 8.464 -7.029 1.00 0.11 C ATOM 1802 C GLY A 455 -9.895 8.253 -6.309 1.00 0.10 C ATOM 1803 O GLY A 455 -10.782 9.098 -6.387 1.00 0.13 O ATOM 0 H GLY A 455 -7.100 7.026 -6.859 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.367 9.532 -7.109 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.644 8.077 -8.045 1.00 0.11 H new ATOM 1807 N MET A 456 -10.041 7.099 -5.640 1.00 0.08 N ATOM 1808 CA MET A 456 -11.173 6.849 -4.749 1.00 0.09 C ATOM 1809 C MET A 456 -10.865 7.306 -3.329 1.00 0.10 C ATOM 1810 O MET A 456 -11.639 8.023 -2.698 1.00 0.13 O ATOM 1811 CB MET A 456 -11.517 5.353 -4.709 1.00 0.08 C ATOM 1812 CG MET A 456 -10.385 4.426 -5.013 1.00 0.06 C ATOM 1813 SD MET A 456 -10.916 2.784 -5.489 1.00 0.06 S ATOM 1814 CE MET A 456 -11.534 3.130 -7.108 1.00 0.07 C ATOM 0 H MET A 456 -9.382 6.323 -5.703 1.00 0.08 H new ATOM 0 HA MET A 456 -12.018 7.414 -5.141 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.905 5.113 -3.719 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.321 5.163 -5.421 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.783 4.852 -5.816 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.741 4.351 -4.137 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.827 2.199 -7.592 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.399 3.789 -7.034 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.757 3.617 -7.698 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.712 6.883 -2.857 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.350 6.977 -1.463 1.00 0.10 C ATOM 1826 C VAL A 457 -8.332 8.027 -1.166 1.00 0.17 C ATOM 1827 O VAL A 457 -7.301 8.175 -1.812 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.867 5.630 -0.932 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -7.998 4.946 -1.957 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.135 5.786 0.390 1.00 0.10 C ATOM 0 H VAL A 457 -8.991 6.459 -3.441 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.265 7.275 -0.951 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.740 5.004 -0.747 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.660 3.986 -1.566 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.571 4.784 -2.870 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.134 5.572 -2.177 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.804 4.808 0.740 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.269 6.434 0.252 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.805 6.228 1.127 1.00 0.10 H new ATOM 1840 N GLU A 458 -8.694 8.728 -0.143 1.00 0.18 N ATOM 1841 CA GLU A 458 -7.954 9.768 0.440 1.00 0.26 C ATOM 1842 C GLU A 458 -8.116 9.621 1.916 1.00 0.15 C ATOM 1843 O GLU A 458 -8.734 8.649 2.360 1.00 0.08 O ATOM 1844 CB GLU A 458 -8.477 11.082 -0.044 1.00 0.42 C ATOM 1845 CG GLU A 458 -9.966 11.163 0.061 1.00 0.46 C ATOM 1846 CD GLU A 458 -10.509 12.504 -0.366 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -10.173 13.518 0.278 1.00 0.83 O ATOM 1848 OE2 GLU A 458 -11.296 12.545 -1.332 1.00 0.82 O1- ATOM 0 H GLU A 458 -9.582 8.567 0.333 1.00 0.18 H new ATOM 0 HA GLU A 458 -6.898 9.726 0.172 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -8.028 11.888 0.537 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -8.178 11.232 -1.081 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -10.412 10.382 -0.555 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -10.265 10.966 1.091 1.00 0.46 H new ATOM 1855 N LYS A 459 -7.552 10.533 2.679 1.00 0.19 N ATOM 1856 CA LYS A 459 -7.667 10.457 4.094 1.00 0.13 C ATOM 1857 C LYS A 459 -9.057 10.198 4.569 1.00 0.14 C ATOM 1858 O LYS A 459 -10.056 10.541 3.933 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.146 11.683 4.758 1.00 0.14 C ATOM 1860 CG LYS A 459 -5.681 11.720 4.795 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.268 12.913 5.552 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.257 14.109 4.672 1.00 0.20 C ATOM 1863 NZ LYS A 459 -4.622 15.294 5.312 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.014 11.327 2.332 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.056 9.599 4.375 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.516 12.563 4.231 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.534 11.734 5.775 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.290 10.818 5.265 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.276 11.753 3.783 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -5.949 13.075 6.387 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.276 12.757 5.976 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -4.725 13.871 3.751 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.281 14.358 4.393 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -4.643 16.098 4.652 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.143 15.542 6.177 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -3.636 15.071 5.554 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.078 9.635 5.735 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.316 9.256 6.341 1.00 0.19 C ATOM 1879 C GLY A 460 -10.645 7.796 6.132 1.00 0.19 C ATOM 1880 O GLY A 460 -11.229 7.150 7.002 1.00 0.37 O ATOM 0 H GLY A 460 -8.248 9.426 6.290 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.271 9.465 7.410 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.119 9.868 5.930 1.00 0.19 H new ATOM 1884 N THR A 461 -10.259 7.279 4.976 1.00 0.12 N ATOM 1885 CA THR A 461 -10.543 5.920 4.600 1.00 0.10 C ATOM 1886 C THR A 461 -9.557 4.977 5.271 1.00 0.09 C ATOM 1887 O THR A 461 -8.383 5.305 5.442 1.00 0.12 O ATOM 1888 CB THR A 461 -10.455 5.801 3.065 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.594 6.429 2.462 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.333 4.351 2.580 1.00 0.08 C ATOM 0 H THR A 461 -9.736 7.802 4.273 1.00 0.12 H new ATOM 0 HA THR A 461 -11.546 5.645 4.925 1.00 0.10 H new ATOM 0 HB THR A 461 -9.541 6.310 2.759 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.532 6.352 1.487 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.275 4.335 1.492 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.432 3.902 2.998 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.205 3.784 2.905 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.023 3.807 5.696 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.169 2.794 6.242 1.00 0.10 C ATOM 1900 C PRO A 462 -8.367 2.133 5.177 1.00 0.09 C ATOM 1901 O PRO A 462 -8.657 2.227 3.989 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.106 1.755 6.819 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.453 2.320 6.711 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.404 3.364 5.659 1.00 0.07 C ATOM 0 HA PRO A 462 -8.481 3.225 6.970 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -10.032 0.816 6.271 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.856 1.538 7.858 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.176 1.546 6.453 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.769 2.747 7.663 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.672 2.964 4.681 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.095 4.181 5.870 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.381 1.445 5.623 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.578 0.638 4.781 1.00 0.14 C ATOM 1914 C VAL A 463 -6.365 -0.692 5.456 1.00 0.12 C ATOM 1915 O VAL A 463 -6.139 -0.761 6.653 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.232 1.306 4.489 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -4.346 0.373 3.701 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -5.440 2.618 3.754 1.00 1.09 C ATOM 0 H VAL A 463 -7.104 1.427 6.604 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.086 0.500 3.827 1.00 0.14 H new ATOM 0 HB VAL A 463 -4.735 1.527 5.434 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -3.392 0.860 3.500 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -4.175 -0.538 4.275 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -4.831 0.121 2.758 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -4.473 3.080 3.554 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -5.954 2.430 2.812 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -6.042 3.288 4.368 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.512 -1.740 4.710 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.317 -3.061 5.227 1.00 0.06 C ATOM 1930 C LEU A 464 -5.138 -3.699 4.585 1.00 0.06 C ATOM 1931 O LEU A 464 -4.850 -3.458 3.426 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.525 -3.886 4.903 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.139 -4.630 6.058 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.483 -3.664 7.176 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.358 -5.364 5.562 1.00 0.13 C ATOM 0 H LEU A 464 -6.771 -1.706 3.724 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.158 -3.000 6.304 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.283 -3.232 4.472 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.253 -4.608 4.134 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.433 -5.355 6.463 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.927 -4.212 8.007 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.577 -3.162 7.515 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.193 -2.922 6.810 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.816 -5.909 6.388 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -10.074 -4.648 5.158 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -9.067 -6.066 4.781 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.435 -4.454 5.372 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.463 -5.381 4.887 1.00 0.06 C ATOM 1949 C VAL A 465 -3.520 -6.605 5.779 1.00 0.08 C ATOM 1950 O VAL A 465 -3.882 -6.484 6.951 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.032 -4.803 4.826 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -2.004 -3.322 4.463 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.276 -5.057 6.075 1.00 0.07 C ATOM 0 H VAL A 465 -4.523 -4.442 6.388 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.705 -5.632 3.854 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.533 -5.337 4.018 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -0.972 -2.973 4.436 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.461 -3.179 3.484 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.559 -2.754 5.209 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.276 -4.633 5.987 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.794 -4.593 6.915 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.201 -6.131 6.243 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.211 -7.769 5.233 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.294 -9.006 5.990 1.00 0.14 C ATOM 1965 C PHE A 466 -2.607 -10.147 5.258 1.00 0.19 C ATOM 1966 O PHE A 466 -2.615 -10.146 4.009 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.752 -9.339 6.285 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.645 -9.303 5.079 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.600 -10.330 4.159 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.521 -8.251 4.860 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.405 -10.314 3.052 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.336 -8.233 3.744 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.310 -9.202 2.867 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.014 -11.013 5.935 1.00 1.08 O ATOM 0 H PHE A 466 -2.900 -7.883 4.268 1.00 0.11 H new ATOM 0 HA PHE A 466 -2.771 -8.868 6.936 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -4.803 -10.332 6.732 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.131 -8.635 7.026 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -4.922 -11.156 4.314 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.567 -7.437 5.569 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.365 -11.117 2.331 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.008 -7.401 3.593 1.00 0.17 H new ATOM 0 HZ PHE A 466 -7.963 -9.172 2.007 1.00 0.19 H new TER 1984 PHE A 466