USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 700 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 476 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Set 1.2: A 497 SER OG : rot 173:sc= 0 USER MOD Set 2.1: A 485 ASN :FLIP amide:sc= -1.68! C(o=-4.9!,f=-1.6!) USER MOD Set 2.2: A 487 ASN : amide:sc= 0.079 K(o=-1.6,f=-2.6) USER MOD Set 3.1: A 427 THR OG1 : rot -117:sc= -3.37! USER MOD Set 3.2: A 468 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 440 HIS : no HE2:sc= -13.3! C(o=-16!,f=-16!) USER MOD Set 4.2: A 449 THR OG1 : rot -99:sc= -2.88! USER MOD Set 5.1: A 435 ASN :FLIP amide:sc= -3.3! C(o=-11!,f=-2.2!) USER MOD Set 5.2: A 436 SER OG : rot -74:sc= 1.09 USER MOD Set 6.1: A 431 LYS NZ :NH3+ 156:sc= 1.28 (180deg=0.794) USER MOD Set 6.2: A 464 TYR OH : rot 30:sc= -2.4! USER MOD Set 6.3: A 506 THR OG1 : rot 168:sc= -5.47! USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 ASN : amide:sc= -6.85! C(o=-6.9!,f=-8.6!) USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 430 TYR OH : rot 65:sc= -0.577! USER MOD Single : A 432 LYS NZ :NH3+ 160:sc= 1.12 (180deg=1) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl -142:sc= -5.49! (180deg=-8.32!) USER MOD Single : A 457 GLN :FLIP amide:sc= -0.946 F(o=-1.7,f=-0.95) USER MOD Single : A 462 SER OG : rot 87:sc= 0.927 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 SER OG : rot 70:sc= 0.964 USER MOD Single : A 475 SER OG : rot 180:sc= 0 USER MOD Single : A 482 ASN : amide:sc= -5.4! C(o=-5.4!,f=-11!) USER MOD Single : A 486 ASN :FLIP amide:sc= -0.977 F(o=-2.2!,f=-0.98) USER MOD Single : A 490 SER OG : rot 180:sc= 0 USER MOD Single : A 491 ASN : amide:sc= 0.0588 X(o=0.059,f=-0.3) USER MOD Single : A 492 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 493 THR OG1 : rot -65:sc= 1.18 USER MOD Single : A 494 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 495 ASN : amide:sc= -6.21! C(o=-6.2!,f=-7.9!) USER MOD Single : A 496 TYR OH : rot 180:sc= 0 USER MOD Single : A 499 SER OG : rot 180:sc= 0.00286 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.0233 USER MOD Single : A 503 SER OG : rot 180:sc= -0.256 USER MOD Single : A 504 THR OG1 : rot 121:sc= -1.03 USER MOD Single : A 505 TYR OH : rot -156:sc= -2.9 USER MOD Single : A 509 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.086) USER MOD Single : A 510 SER OG : rot 180:sc= 0 USER MOD Single : A 512 ASN : amide:sc= -0.195 X(o=-0.19,f=0.0087) USER MOD Single : A 515 THR OG1 : rot -92:sc= 0.146 USER MOD Single : A 517 THR OG1 : rot -170:sc= -1.62! USER MOD Single : A 518 SER OG : rot 49:sc= 0.55 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 420 -16.710 -12.012 16.510 1.00 0.00 N ATOM 2 CA GLY A 420 -16.180 -11.468 15.271 1.00 0.00 C ATOM 3 C GLY A 420 -15.095 -10.426 15.550 1.00 0.00 C ATOM 4 O GLY A 420 -14.197 -10.659 16.359 1.00 0.00 O ATOM 0 HA2 GLY A 420 -15.768 -12.273 14.663 1.00 0.00 H new ATOM 0 HA3 GLY A 420 -16.986 -11.014 14.695 1.00 0.00 H new ATOM 8 N GLY A 421 -15.212 -9.298 14.866 1.00 0.00 N ATOM 9 CA GLY A 421 -14.253 -8.219 15.029 1.00 0.00 C ATOM 10 C GLY A 421 -14.943 -6.937 15.500 1.00 0.00 C ATOM 11 O GLY A 421 -16.158 -6.916 15.689 1.00 0.00 O ATOM 0 H GLY A 421 -15.958 -9.108 14.197 1.00 0.00 H new ATOM 0 HA2 GLY A 421 -13.490 -8.512 15.751 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -13.743 -8.035 14.083 1.00 0.00 H new ATOM 15 N THR A 422 -14.138 -5.900 15.677 1.00 0.00 N ATOM 16 CA THR A 422 -14.656 -4.618 16.123 1.00 0.00 C ATOM 17 C THR A 422 -14.588 -3.592 14.990 1.00 0.00 C ATOM 18 O THR A 422 -15.390 -2.661 14.942 1.00 0.00 O ATOM 19 CB THR A 422 -13.873 -4.199 17.369 1.00 0.00 C ATOM 20 OG1 THR A 422 -14.453 -2.952 17.740 1.00 0.00 O ATOM 21 CG2 THR A 422 -12.415 -3.855 17.057 1.00 0.00 C ATOM 0 H THR A 422 -13.130 -5.921 15.520 1.00 0.00 H new ATOM 0 HA THR A 422 -15.710 -4.690 16.392 1.00 0.00 H new ATOM 0 HB THR A 422 -13.906 -5.002 18.105 1.00 0.00 H new ATOM 0 HG1 THR A 422 -14.005 -2.609 18.541 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.905 -3.564 17.976 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.920 -4.726 16.627 1.00 0.00 H new ATOM 0 HG23 THR A 422 -12.380 -3.030 16.346 1.00 0.00 H new ATOM 29 N GLY A 423 -13.623 -3.798 14.105 1.00 0.00 N ATOM 30 CA GLY A 423 -13.439 -2.902 12.976 1.00 0.00 C ATOM 31 C GLY A 423 -12.097 -2.173 13.067 1.00 0.00 C ATOM 32 O GLY A 423 -11.924 -1.286 13.902 1.00 0.00 O ATOM 0 H GLY A 423 -12.960 -4.572 14.147 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -13.487 -3.469 12.046 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -14.251 -2.175 12.948 1.00 0.00 H new ATOM 36 N ASN A 424 -11.182 -2.574 12.197 1.00 0.00 N ATOM 37 CA ASN A 424 -9.861 -1.970 12.169 1.00 0.00 C ATOM 38 C ASN A 424 -9.671 -1.229 10.844 1.00 0.00 C ATOM 39 O ASN A 424 -10.366 -1.509 9.867 1.00 0.00 O ATOM 40 CB ASN A 424 -8.766 -3.034 12.277 1.00 0.00 C ATOM 41 CG ASN A 424 -8.152 -3.048 13.678 1.00 0.00 C ATOM 42 OD1 ASN A 424 -7.466 -2.128 14.092 1.00 0.00 O ATOM 43 ND2 ASN A 424 -8.435 -4.141 14.381 1.00 0.00 N ATOM 0 H ASN A 424 -11.329 -3.310 11.506 1.00 0.00 H new ATOM 0 HA ASN A 424 -9.785 -1.287 13.015 1.00 0.00 H new ATOM 0 HB2 ASN A 424 -9.183 -4.015 12.049 1.00 0.00 H new ATOM 0 HB3 ASN A 424 -7.989 -2.838 11.538 1.00 0.00 H new ATOM 0 HD21 ASN A 424 -8.071 -4.247 15.328 1.00 0.00 H new ATOM 0 HD22 ASN A 424 -9.016 -4.873 13.973 1.00 0.00 H new ATOM 50 N LYS A 425 -8.728 -0.299 10.852 1.00 0.00 N ATOM 51 CA LYS A 425 -8.439 0.484 9.663 1.00 0.00 C ATOM 52 C LYS A 425 -6.929 0.486 9.413 1.00 0.00 C ATOM 53 O LYS A 425 -6.142 0.610 10.350 1.00 0.00 O ATOM 54 CB LYS A 425 -9.044 1.884 9.783 1.00 0.00 C ATOM 55 CG LYS A 425 -10.539 1.865 9.454 1.00 0.00 C ATOM 56 CD LYS A 425 -10.852 2.784 8.271 1.00 0.00 C ATOM 57 CE LYS A 425 -12.045 3.689 8.581 1.00 0.00 C ATOM 58 NZ LYS A 425 -12.899 3.849 7.383 1.00 0.00 N ATOM 0 H LYS A 425 -8.154 -0.070 11.663 1.00 0.00 H new ATOM 0 HA LYS A 425 -8.907 0.034 8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -8.895 2.263 10.794 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -8.528 2.566 9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -10.851 0.847 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -11.111 2.181 10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -9.979 3.394 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -11.066 2.184 7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -12.629 3.264 9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -11.692 4.664 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -13.704 4.466 7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -12.343 4.275 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -13.251 2.918 7.081 1.00 0.00 H new ATOM 71 N VAL A 426 -6.571 0.348 8.145 1.00 0.00 N ATOM 72 CA VAL A 426 -5.170 0.332 7.761 1.00 0.00 C ATOM 73 C VAL A 426 -4.939 1.357 6.648 1.00 0.00 C ATOM 74 O VAL A 426 -5.510 1.241 5.565 1.00 0.00 O ATOM 75 CB VAL A 426 -4.752 -1.085 7.364 1.00 0.00 C ATOM 76 CG1 VAL A 426 -3.229 -1.206 7.285 1.00 0.00 C ATOM 77 CG2 VAL A 426 -5.334 -2.119 8.330 1.00 0.00 C ATOM 0 H VAL A 426 -7.227 0.246 7.370 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.540 0.618 8.603 1.00 0.00 H new ATOM 0 HB VAL A 426 -5.156 -1.288 6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -2.959 -2.223 7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -2.847 -0.508 6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -2.795 -0.973 8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -5.022 -3.118 8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -4.973 -1.918 9.339 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -6.422 -2.059 8.315 1.00 0.00 H new ATOM 87 N THR A 427 -4.101 2.336 6.954 1.00 0.00 N ATOM 88 CA THR A 427 -3.788 3.381 5.993 1.00 0.00 C ATOM 89 C THR A 427 -2.380 3.181 5.428 1.00 0.00 C ATOM 90 O THR A 427 -1.446 2.882 6.170 1.00 0.00 O ATOM 91 CB THR A 427 -3.979 4.732 6.685 1.00 0.00 C ATOM 92 OG1 THR A 427 -5.380 4.800 6.934 1.00 0.00 O ATOM 93 CG2 THR A 427 -3.709 5.912 5.750 1.00 0.00 C ATOM 0 H THR A 427 -3.629 2.428 7.853 1.00 0.00 H new ATOM 0 HA THR A 427 -4.458 3.342 5.134 1.00 0.00 H new ATOM 0 HB THR A 427 -3.316 4.794 7.548 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.764 5.553 6.438 1.00 0.00 H new ATOM 0 HG21 THR A 427 -3.859 6.846 6.291 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.682 5.862 5.389 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.394 5.869 4.903 1.00 0.00 H new ATOM 101 N ILE A 428 -2.273 3.354 4.119 1.00 0.00 N ATOM 102 CA ILE A 428 -0.995 3.196 3.445 1.00 0.00 C ATOM 103 C ILE A 428 -0.779 4.370 2.489 1.00 0.00 C ATOM 104 O ILE A 428 -1.588 4.603 1.592 1.00 0.00 O ATOM 105 CB ILE A 428 -0.913 1.827 2.766 1.00 0.00 C ATOM 106 CG1 ILE A 428 -0.524 0.740 3.770 1.00 0.00 C ATOM 107 CG2 ILE A 428 0.036 1.866 1.567 1.00 0.00 C ATOM 108 CD1 ILE A 428 -1.666 -0.259 3.966 1.00 0.00 C ATOM 0 H ILE A 428 -3.050 3.602 3.507 1.00 0.00 H new ATOM 0 HA ILE A 428 -0.179 3.218 4.167 1.00 0.00 H new ATOM 0 HB ILE A 428 -1.903 1.574 2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.365 0.217 3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 428 -0.268 1.197 4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 428 0.076 0.881 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -0.325 2.595 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 428 1.034 2.150 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 428 -1.364 -1.021 4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 428 -2.546 0.264 4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -1.903 -0.732 3.013 1.00 0.00 H new ATOM 120 N TYR A 429 0.317 5.080 2.714 1.00 0.00 N ATOM 121 CA TYR A 429 0.650 6.226 1.883 1.00 0.00 C ATOM 122 C TYR A 429 1.919 5.963 1.071 1.00 0.00 C ATOM 123 O TYR A 429 3.015 5.902 1.627 1.00 0.00 O ATOM 124 CB TYR A 429 0.906 7.385 2.848 1.00 0.00 C ATOM 125 CG TYR A 429 -0.343 7.866 3.590 1.00 0.00 C ATOM 126 CD1 TYR A 429 -1.576 7.328 3.284 1.00 0.00 C ATOM 127 CD2 TYR A 429 -0.235 8.836 4.565 1.00 0.00 C ATOM 128 CE1 TYR A 429 -2.752 7.781 3.982 1.00 0.00 C ATOM 129 CE2 TYR A 429 -1.411 9.289 5.263 1.00 0.00 C ATOM 130 CZ TYR A 429 -2.611 8.738 4.937 1.00 0.00 C ATOM 131 OH TYR A 429 -3.721 9.165 5.596 1.00 0.00 O ATOM 0 H TYR A 429 0.986 4.884 3.459 1.00 0.00 H new ATOM 0 HA TYR A 429 -0.155 6.438 1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 429 1.654 7.077 3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 429 1.330 8.221 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 429 -1.660 6.568 2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 429 0.731 9.256 4.805 1.00 0.00 H new ATOM 0 HE1 TYR A 429 -3.724 7.370 3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 429 -1.341 10.049 6.028 1.00 0.00 H new ATOM 0 HH TYR A 429 -3.470 9.850 6.251 1.00 0.00 H new ATOM 141 N TYR A 430 1.729 5.815 -0.232 1.00 0.00 N ATOM 142 CA TYR A 430 2.846 5.560 -1.127 1.00 0.00 C ATOM 143 C TYR A 430 3.155 6.791 -1.981 1.00 0.00 C ATOM 144 O TYR A 430 2.244 7.475 -2.444 1.00 0.00 O ATOM 145 CB TYR A 430 2.400 4.418 -2.042 1.00 0.00 C ATOM 146 CG TYR A 430 3.178 4.335 -3.357 1.00 0.00 C ATOM 147 CD1 TYR A 430 4.550 4.190 -3.339 1.00 0.00 C ATOM 148 CD2 TYR A 430 2.507 4.404 -4.561 1.00 0.00 C ATOM 149 CE1 TYR A 430 5.282 4.112 -4.577 1.00 0.00 C ATOM 150 CE2 TYR A 430 3.238 4.326 -5.799 1.00 0.00 C ATOM 151 CZ TYR A 430 4.590 4.184 -5.746 1.00 0.00 C ATOM 152 OH TYR A 430 5.281 4.110 -6.915 1.00 0.00 O ATOM 0 H TYR A 430 0.819 5.867 -0.690 1.00 0.00 H new ATOM 0 HA TYR A 430 3.745 5.315 -0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 430 2.508 3.474 -1.507 1.00 0.00 H new ATOM 0 HB3 TYR A 430 1.340 4.538 -2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 430 5.075 4.135 -2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 430 1.433 4.517 -4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 430 6.356 3.999 -4.577 1.00 0.00 H new ATOM 0 HE2 TYR A 430 2.725 4.379 -6.748 1.00 0.00 H new ATOM 0 HH TYR A 430 5.697 3.226 -6.993 1.00 0.00 H new ATOM 162 N LYS A 431 4.445 7.035 -2.165 1.00 0.00 N ATOM 163 CA LYS A 431 4.886 8.171 -2.956 1.00 0.00 C ATOM 164 C LYS A 431 4.411 7.998 -4.400 1.00 0.00 C ATOM 165 O LYS A 431 4.451 6.894 -4.942 1.00 0.00 O ATOM 166 CB LYS A 431 6.399 8.361 -2.824 1.00 0.00 C ATOM 167 CG LYS A 431 6.751 9.065 -1.512 1.00 0.00 C ATOM 168 CD LYS A 431 7.694 8.207 -0.666 1.00 0.00 C ATOM 169 CE LYS A 431 8.612 9.083 0.190 1.00 0.00 C ATOM 170 NZ LYS A 431 7.956 9.424 1.472 1.00 0.00 N ATOM 0 H LYS A 431 5.198 6.465 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 431 4.439 9.092 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.896 7.392 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.770 8.946 -3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 431 7.220 10.026 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 431 5.840 9.273 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 431 7.112 7.547 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 431 8.295 7.571 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 431 9.549 8.559 0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 431 8.862 9.995 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 8.680 9.647 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 7.337 10.249 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 7.388 8.616 1.797 1.00 0.00 H new ATOM 183 N LYS A 432 3.972 9.104 -4.982 1.00 0.00 N ATOM 184 CA LYS A 432 3.490 9.088 -6.352 1.00 0.00 C ATOM 185 C LYS A 432 4.684 9.025 -7.308 1.00 0.00 C ATOM 186 O LYS A 432 5.406 10.008 -7.470 1.00 0.00 O ATOM 187 CB LYS A 432 2.561 10.276 -6.607 1.00 0.00 C ATOM 188 CG LYS A 432 1.512 9.935 -7.667 1.00 0.00 C ATOM 189 CD LYS A 432 0.220 10.720 -7.434 1.00 0.00 C ATOM 190 CE LYS A 432 -0.822 9.862 -6.714 1.00 0.00 C ATOM 191 NZ LYS A 432 -2.056 9.756 -7.524 1.00 0.00 N ATOM 0 H LYS A 432 3.940 10.018 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 432 2.888 8.197 -6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 432 2.066 10.561 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 432 3.146 11.136 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 432 1.905 10.161 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 432 1.301 8.866 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 432 0.433 11.611 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 432 -0.181 11.059 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 432 -0.416 8.868 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 432 -1.054 10.300 -5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 432 -2.606 8.930 -7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 432 -2.626 10.617 -7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 432 -1.804 9.646 -8.527 1.00 0.00 H new ATOM 204 N GLY A 433 4.854 7.860 -7.915 1.00 0.00 N ATOM 205 CA GLY A 433 5.948 7.656 -8.849 1.00 0.00 C ATOM 206 C GLY A 433 5.420 7.350 -10.252 1.00 0.00 C ATOM 207 O GLY A 433 6.197 7.071 -11.165 1.00 0.00 O ATOM 0 H GLY A 433 4.253 7.048 -7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 433 6.576 8.546 -8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 433 6.576 6.834 -8.505 1.00 0.00 H new ATOM 211 N PHE A 434 4.103 7.412 -10.381 1.00 0.00 N ATOM 212 CA PHE A 434 3.462 7.145 -11.658 1.00 0.00 C ATOM 213 C PHE A 434 2.325 8.134 -11.918 1.00 0.00 C ATOM 214 O PHE A 434 2.407 8.954 -12.831 1.00 0.00 O ATOM 215 CB PHE A 434 2.885 5.730 -11.581 1.00 0.00 C ATOM 216 CG PHE A 434 3.771 4.660 -12.220 1.00 0.00 C ATOM 217 CD1 PHE A 434 4.805 4.124 -11.517 1.00 0.00 C ATOM 218 CD2 PHE A 434 3.527 4.245 -13.492 1.00 0.00 C ATOM 219 CE1 PHE A 434 5.628 3.131 -12.111 1.00 0.00 C ATOM 220 CE2 PHE A 434 4.350 3.252 -14.086 1.00 0.00 C ATOM 221 CZ PHE A 434 5.383 2.716 -13.383 1.00 0.00 C ATOM 0 H PHE A 434 3.462 7.643 -9.622 1.00 0.00 H new ATOM 0 HA PHE A 434 4.186 7.246 -12.466 1.00 0.00 H new ATOM 0 HB2 PHE A 434 2.720 5.473 -10.535 1.00 0.00 H new ATOM 0 HB3 PHE A 434 1.911 5.719 -12.069 1.00 0.00 H new ATOM 0 HD1 PHE A 434 5.000 4.454 -10.507 1.00 0.00 H new ATOM 0 HD2 PHE A 434 2.707 4.671 -14.051 1.00 0.00 H new ATOM 0 HE1 PHE A 434 6.449 2.705 -11.553 1.00 0.00 H new ATOM 0 HE2 PHE A 434 4.155 2.923 -15.096 1.00 0.00 H new ATOM 0 HZ PHE A 434 6.009 1.961 -13.835 1.00 0.00 H new ATOM 231 N ASN A 435 1.289 8.025 -11.099 1.00 0.00 N ATOM 232 CA ASN A 435 0.136 8.899 -11.230 1.00 0.00 C ATOM 233 C ASN A 435 -1.103 8.187 -10.683 1.00 0.00 C ATOM 234 O ASN A 435 -1.856 8.759 -9.897 1.00 0.00 O ATOM 235 CB ASN A 435 -0.127 9.249 -12.696 1.00 0.00 C ATOM 236 CG ASN A 435 -0.058 8.000 -13.578 1.00 0.00 C ATOM 237 OD1 ASN A 435 -1.205 7.333 -13.663 1.00 0.00 O flip ATOM 238 ND2 ASN A 435 0.969 7.665 -14.144 1.00 0.00 N flip ATOM 0 H ASN A 435 1.224 7.344 -10.342 1.00 0.00 H new ATOM 0 HA ASN A 435 0.341 9.813 -10.673 1.00 0.00 H new ATOM 0 HB2 ASN A 435 -1.109 9.713 -12.793 1.00 0.00 H new ATOM 0 HB3 ASN A 435 0.606 9.980 -13.036 1.00 0.00 H new ATOM 0 HD21 ASN A 435 1.816 8.223 -14.036 1.00 0.00 H new ATOM 0 HD22 ASN A 435 0.981 6.827 -14.725 1.00 0.00 H new ATOM 245 N SER A 436 -1.277 6.949 -11.123 1.00 0.00 N ATOM 246 CA SER A 436 -2.412 6.153 -10.688 1.00 0.00 C ATOM 247 C SER A 436 -1.987 4.695 -10.498 1.00 0.00 C ATOM 248 O SER A 436 -2.519 3.800 -11.152 1.00 0.00 O ATOM 249 CB SER A 436 -3.564 6.244 -11.690 1.00 0.00 C ATOM 250 OG SER A 436 -3.148 5.916 -13.013 1.00 0.00 O ATOM 0 H SER A 436 -0.651 6.478 -11.776 1.00 0.00 H new ATOM 0 HA SER A 436 -2.763 6.549 -9.735 1.00 0.00 H new ATOM 0 HB2 SER A 436 -4.365 5.570 -11.384 1.00 0.00 H new ATOM 0 HB3 SER A 436 -3.975 7.253 -11.679 1.00 0.00 H new ATOM 0 HG SER A 436 -2.622 6.656 -13.383 1.00 0.00 H new ATOM 256 N PRO A 437 -1.006 4.498 -9.577 1.00 0.00 N ATOM 257 CA PRO A 437 -0.504 3.165 -9.293 1.00 0.00 C ATOM 258 C PRO A 437 -1.503 2.370 -8.450 1.00 0.00 C ATOM 259 O PRO A 437 -2.235 2.943 -7.644 1.00 0.00 O ATOM 260 CB PRO A 437 0.824 3.387 -8.587 1.00 0.00 C ATOM 261 CG PRO A 437 0.796 4.822 -8.088 1.00 0.00 C ATOM 262 CD PRO A 437 -0.352 5.535 -8.784 1.00 0.00 C ATOM 0 HA PRO A 437 -0.367 2.567 -10.194 1.00 0.00 H new ATOM 0 HB2 PRO A 437 0.948 2.688 -7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 437 1.660 3.227 -9.268 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.662 4.848 -7.007 1.00 0.00 H new ATOM 0 HG3 PRO A 437 1.741 5.320 -8.304 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -1.040 5.975 -8.063 1.00 0.00 H new ATOM 0 HD3 PRO A 437 0.010 6.347 -9.415 1.00 0.00 H new ATOM 270 N TYR A 438 -1.503 1.063 -8.666 1.00 0.00 N ATOM 271 CA TYR A 438 -2.401 0.183 -7.936 1.00 0.00 C ATOM 272 C TYR A 438 -1.710 -0.407 -6.705 1.00 0.00 C ATOM 273 O TYR A 438 -0.484 -0.492 -6.658 1.00 0.00 O ATOM 274 CB TYR A 438 -2.756 -0.950 -8.900 1.00 0.00 C ATOM 275 CG TYR A 438 -3.644 -0.519 -10.068 1.00 0.00 C ATOM 276 CD1 TYR A 438 -3.073 -0.042 -11.231 1.00 0.00 C ATOM 277 CD2 TYR A 438 -5.017 -0.606 -9.960 1.00 0.00 C ATOM 278 CE1 TYR A 438 -3.909 0.364 -12.330 1.00 0.00 C ATOM 279 CE2 TYR A 438 -5.854 -0.199 -11.059 1.00 0.00 C ATOM 280 CZ TYR A 438 -5.258 0.265 -12.190 1.00 0.00 C ATOM 281 OH TYR A 438 -6.048 0.649 -13.229 1.00 0.00 O ATOM 0 H TYR A 438 -0.895 0.592 -9.336 1.00 0.00 H new ATOM 0 HA TYR A 438 -3.279 0.730 -7.592 1.00 0.00 H new ATOM 0 HB2 TYR A 438 -1.835 -1.378 -9.296 1.00 0.00 H new ATOM 0 HB3 TYR A 438 -3.262 -1.740 -8.345 1.00 0.00 H new ATOM 0 HD1 TYR A 438 -1.999 0.027 -11.316 1.00 0.00 H new ATOM 0 HD2 TYR A 438 -5.464 -0.980 -9.051 1.00 0.00 H new ATOM 0 HE1 TYR A 438 -3.475 0.739 -13.245 1.00 0.00 H new ATOM 0 HE2 TYR A 438 -6.930 -0.261 -10.987 1.00 0.00 H new ATOM 0 HH TYR A 438 -6.990 0.522 -12.988 1.00 0.00 H new ATOM 291 N ILE A 439 -2.527 -0.800 -5.739 1.00 0.00 N ATOM 292 CA ILE A 439 -2.010 -1.379 -4.511 1.00 0.00 C ATOM 293 C ILE A 439 -2.831 -2.619 -4.152 1.00 0.00 C ATOM 294 O ILE A 439 -4.047 -2.535 -3.981 1.00 0.00 O ATOM 295 CB ILE A 439 -1.966 -0.329 -3.400 1.00 0.00 C ATOM 296 CG1 ILE A 439 -1.018 -0.758 -2.277 1.00 0.00 C ATOM 297 CG2 ILE A 439 -3.371 -0.022 -2.878 1.00 0.00 C ATOM 298 CD1 ILE A 439 -1.265 0.061 -1.009 1.00 0.00 C ATOM 0 H ILE A 439 -3.544 -0.729 -5.782 1.00 0.00 H new ATOM 0 HA ILE A 439 -0.980 -1.707 -4.649 1.00 0.00 H new ATOM 0 HB ILE A 439 -1.570 0.596 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -1.158 -1.818 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 439 0.015 -0.632 -2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -3.310 0.728 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -3.987 0.358 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -3.818 -0.933 -2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -0.579 -0.264 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -1.101 1.118 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -2.292 -0.087 -0.675 1.00 0.00 H new ATOM 310 N HIS A 440 -2.135 -3.742 -4.049 1.00 0.00 N ATOM 311 CA HIS A 440 -2.785 -4.998 -3.714 1.00 0.00 C ATOM 312 C HIS A 440 -2.586 -5.297 -2.227 1.00 0.00 C ATOM 313 O HIS A 440 -1.455 -5.436 -1.764 1.00 0.00 O ATOM 314 CB HIS A 440 -2.285 -6.126 -4.619 1.00 0.00 C ATOM 315 CG HIS A 440 -3.296 -7.224 -4.846 1.00 0.00 C ATOM 316 ND1 HIS A 440 -3.368 -7.943 -6.027 1.00 0.00 N ATOM 317 CD2 HIS A 440 -4.273 -7.719 -4.034 1.00 0.00 C ATOM 318 CE1 HIS A 440 -4.349 -8.827 -5.918 1.00 0.00 C ATOM 319 NE2 HIS A 440 -4.909 -8.686 -4.683 1.00 0.00 N ATOM 0 H HIS A 440 -1.127 -3.808 -4.192 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.857 -4.917 -3.892 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -1.998 -5.705 -5.583 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -1.386 -6.559 -4.180 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -2.768 -7.814 -6.842 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -4.492 -7.381 -3.032 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -4.652 -9.535 -6.675 1.00 0.00 H new ATOM 327 N TYR A 441 -3.703 -5.389 -1.521 1.00 0.00 N ATOM 328 CA TYR A 441 -3.666 -5.670 -0.096 1.00 0.00 C ATOM 329 C TYR A 441 -4.628 -6.804 0.265 1.00 0.00 C ATOM 330 O TYR A 441 -5.616 -7.030 -0.432 1.00 0.00 O ATOM 331 CB TYR A 441 -4.127 -4.387 0.599 1.00 0.00 C ATOM 332 CG TYR A 441 -5.542 -3.947 0.219 1.00 0.00 C ATOM 333 CD1 TYR A 441 -6.633 -4.635 0.710 1.00 0.00 C ATOM 334 CD2 TYR A 441 -5.728 -2.863 -0.615 1.00 0.00 C ATOM 335 CE1 TYR A 441 -7.966 -4.221 0.353 1.00 0.00 C ATOM 336 CE2 TYR A 441 -7.060 -2.449 -0.972 1.00 0.00 C ATOM 337 CZ TYR A 441 -8.113 -3.149 -0.471 1.00 0.00 C ATOM 338 OH TYR A 441 -9.372 -2.758 -0.808 1.00 0.00 O ATOM 0 H TYR A 441 -4.639 -5.274 -1.909 1.00 0.00 H new ATOM 0 HA TYR A 441 -2.665 -5.975 0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -4.081 -4.534 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -3.431 -3.584 0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 441 -6.488 -5.484 1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 441 -4.874 -2.325 -1.000 1.00 0.00 H new ATOM 0 HE1 TYR A 441 -8.829 -4.750 0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 441 -7.219 -1.602 -1.623 1.00 0.00 H new ATOM 0 HH TYR A 441 -9.325 -1.979 -1.401 1.00 0.00 H new ATOM 348 N ARG A 442 -4.305 -7.487 1.354 1.00 0.00 N ATOM 349 CA ARG A 442 -5.128 -8.592 1.815 1.00 0.00 C ATOM 350 C ARG A 442 -5.106 -8.668 3.343 1.00 0.00 C ATOM 351 O ARG A 442 -4.039 -8.740 3.949 1.00 0.00 O ATOM 352 CB ARG A 442 -4.638 -9.922 1.238 1.00 0.00 C ATOM 353 CG ARG A 442 -5.053 -11.093 2.131 1.00 0.00 C ATOM 354 CD ARG A 442 -4.586 -12.425 1.540 1.00 0.00 C ATOM 355 NE ARG A 442 -3.795 -13.173 2.542 1.00 0.00 N ATOM 356 CZ ARG A 442 -3.139 -14.324 2.283 1.00 0.00 C ATOM 357 NH1 ARG A 442 -3.175 -14.870 1.049 1.00 0.00 N ATOM 358 NH2 ARG A 442 -2.463 -14.908 3.255 1.00 0.00 N ATOM 0 H ARG A 442 -3.485 -7.296 1.930 1.00 0.00 H new ATOM 0 HA ARG A 442 -6.147 -8.413 1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.046 -10.061 0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -3.553 -9.902 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -4.629 -10.964 3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.137 -11.102 2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -5.447 -13.016 1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -3.984 -12.246 0.649 1.00 0.00 H new ATOM 0 HE ARG A 442 -3.742 -12.795 3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -3.701 -14.413 0.304 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -2.677 -15.740 0.861 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -2.442 -14.489 4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -1.962 -15.778 3.076 1.00 0.00 H new ATOM 371 N PRO A 443 -6.330 -8.650 3.937 1.00 0.00 N ATOM 372 CA PRO A 443 -6.461 -8.716 5.382 1.00 0.00 C ATOM 373 C PRO A 443 -6.196 -10.134 5.893 1.00 0.00 C ATOM 374 O PRO A 443 -6.738 -11.100 5.359 1.00 0.00 O ATOM 375 CB PRO A 443 -7.873 -8.234 5.672 1.00 0.00 C ATOM 376 CG PRO A 443 -8.633 -8.359 4.361 1.00 0.00 C ATOM 377 CD PRO A 443 -7.615 -8.566 3.251 1.00 0.00 C ATOM 0 HA PRO A 443 -5.729 -8.096 5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 443 -8.339 -8.836 6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 443 -7.869 -7.203 6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 443 -9.329 -9.197 4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 443 -9.224 -7.462 4.175 1.00 0.00 H new ATOM 0 HD2 PRO A 443 -7.823 -9.476 2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 443 -7.631 -7.740 2.540 1.00 0.00 H new ATOM 385 N ALA A 444 -5.363 -10.213 6.920 1.00 0.00 N ATOM 386 CA ALA A 444 -5.020 -11.496 7.508 1.00 0.00 C ATOM 387 C ALA A 444 -6.304 -12.250 7.861 1.00 0.00 C ATOM 388 O ALA A 444 -6.961 -11.935 8.852 1.00 0.00 O ATOM 389 CB ALA A 444 -4.120 -11.276 8.726 1.00 0.00 C ATOM 0 H ALA A 444 -4.915 -9.409 7.360 1.00 0.00 H new ATOM 0 HA ALA A 444 -4.463 -12.107 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 444 -3.863 -12.239 9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 444 -3.209 -10.763 8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 444 -4.646 -10.669 9.462 1.00 0.00 H new ATOM 395 N GLY A 445 -6.622 -13.232 7.030 1.00 0.00 N ATOM 396 CA GLY A 445 -7.816 -14.033 7.242 1.00 0.00 C ATOM 397 C GLY A 445 -8.870 -13.740 6.172 1.00 0.00 C ATOM 398 O GLY A 445 -9.949 -14.331 6.180 1.00 0.00 O ATOM 0 H GLY A 445 -6.074 -13.491 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.556 -15.091 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -8.227 -13.825 8.230 1.00 0.00 H new ATOM 402 N GLY A 446 -8.520 -12.828 5.277 1.00 0.00 N ATOM 403 CA GLY A 446 -9.423 -12.448 4.203 1.00 0.00 C ATOM 404 C GLY A 446 -8.926 -12.977 2.856 1.00 0.00 C ATOM 405 O GLY A 446 -8.294 -14.031 2.794 1.00 0.00 O ATOM 0 H GLY A 446 -7.624 -12.341 5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -10.420 -12.839 4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -9.509 -11.362 4.162 1.00 0.00 H new ATOM 409 N SER A 447 -9.229 -12.221 1.812 1.00 0.00 N ATOM 410 CA SER A 447 -8.821 -12.600 0.470 1.00 0.00 C ATOM 411 C SER A 447 -8.127 -11.423 -0.219 1.00 0.00 C ATOM 412 O SER A 447 -8.276 -10.277 0.203 1.00 0.00 O ATOM 413 CB SER A 447 -10.020 -13.068 -0.359 1.00 0.00 C ATOM 414 OG SER A 447 -11.051 -13.616 0.457 1.00 0.00 O ATOM 0 H SER A 447 -9.752 -11.347 1.868 1.00 0.00 H new ATOM 0 HA SER A 447 -8.120 -13.431 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 447 -10.417 -12.228 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 447 -9.692 -13.816 -1.080 1.00 0.00 H new ATOM 0 HG SER A 447 -11.799 -13.901 -0.108 1.00 0.00 H new ATOM 420 N TRP A 448 -7.384 -11.747 -1.267 1.00 0.00 N ATOM 421 CA TRP A 448 -6.666 -10.730 -2.017 1.00 0.00 C ATOM 422 C TRP A 448 -7.691 -9.914 -2.807 1.00 0.00 C ATOM 423 O TRP A 448 -8.792 -10.389 -3.078 1.00 0.00 O ATOM 424 CB TRP A 448 -5.592 -11.361 -2.905 1.00 0.00 C ATOM 425 CG TRP A 448 -4.315 -11.750 -2.157 1.00 0.00 C ATOM 426 CD1 TRP A 448 -3.802 -12.975 -1.982 1.00 0.00 C ATOM 427 CD2 TRP A 448 -3.405 -10.853 -1.486 1.00 0.00 C ATOM 428 NE1 TRP A 448 -2.633 -12.935 -1.250 1.00 0.00 N ATOM 429 CE2 TRP A 448 -2.384 -11.603 -0.939 1.00 0.00 C ATOM 430 CE3 TRP A 448 -3.444 -9.455 -1.345 1.00 0.00 C ATOM 431 CZ2 TRP A 448 -1.325 -11.043 -0.215 1.00 0.00 C ATOM 432 CZ3 TRP A 448 -2.378 -8.910 -0.619 1.00 0.00 C ATOM 433 CH2 TRP A 448 -1.342 -9.651 -0.062 1.00 0.00 C ATOM 0 H TRP A 448 -7.264 -12.698 -1.614 1.00 0.00 H new ATOM 0 HA TRP A 448 -6.131 -10.060 -1.344 1.00 0.00 H new ATOM 0 HB2 TRP A 448 -6.006 -12.249 -3.383 1.00 0.00 H new ATOM 0 HB3 TRP A 448 -5.336 -10.661 -3.701 1.00 0.00 H new ATOM 0 HD1 TRP A 448 -4.248 -13.881 -2.366 1.00 0.00 H new ATOM 0 HE1 TRP A 448 -2.058 -13.735 -0.986 1.00 0.00 H new ATOM 0 HE3 TRP A 448 -4.234 -8.849 -1.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 -0.537 -11.652 0.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 -2.359 -7.839 -0.482 1.00 0.00 H new ATOM 0 HH2 TRP A 448 -0.554 -9.156 0.486 1.00 0.00 H new ATOM 444 N THR A 449 -7.292 -8.699 -3.153 1.00 0.00 N ATOM 445 CA THR A 449 -8.162 -7.811 -3.906 1.00 0.00 C ATOM 446 C THR A 449 -8.060 -8.109 -5.403 1.00 0.00 C ATOM 447 O THR A 449 -7.066 -8.668 -5.863 1.00 0.00 O ATOM 448 CB THR A 449 -7.793 -6.371 -3.546 1.00 0.00 C ATOM 449 OG1 THR A 449 -6.376 -6.401 -3.400 1.00 0.00 O ATOM 450 CG2 THR A 449 -8.303 -5.964 -2.162 1.00 0.00 C ATOM 0 H THR A 449 -6.378 -8.308 -2.926 1.00 0.00 H new ATOM 0 HA THR A 449 -9.209 -7.968 -3.646 1.00 0.00 H new ATOM 0 HB THR A 449 -8.201 -5.694 -4.296 1.00 0.00 H new ATOM 0 HG1 THR A 449 -6.146 -6.470 -2.450 1.00 0.00 H new ATOM 0 HG21 THR A 449 -8.014 -4.933 -1.956 1.00 0.00 H new ATOM 0 HG22 THR A 449 -9.389 -6.048 -2.135 1.00 0.00 H new ATOM 0 HG23 THR A 449 -7.869 -6.620 -1.407 1.00 0.00 H new ATOM 458 N ALA A 450 -9.103 -7.722 -6.123 1.00 0.00 N ATOM 459 CA ALA A 450 -9.144 -7.940 -7.559 1.00 0.00 C ATOM 460 C ALA A 450 -7.955 -7.233 -8.212 1.00 0.00 C ATOM 461 O ALA A 450 -8.020 -6.039 -8.501 1.00 0.00 O ATOM 462 CB ALA A 450 -10.486 -7.455 -8.111 1.00 0.00 C ATOM 0 H ALA A 450 -9.926 -7.259 -5.738 1.00 0.00 H new ATOM 0 HA ALA A 450 -9.062 -9.002 -7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 450 -10.517 -7.618 -9.188 1.00 0.00 H new ATOM 0 HB2 ALA A 450 -11.296 -8.009 -7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 450 -10.602 -6.392 -7.902 1.00 0.00 H new ATOM 468 N ALA A 451 -6.896 -8.000 -8.426 1.00 0.00 N ATOM 469 CA ALA A 451 -5.694 -7.461 -9.040 1.00 0.00 C ATOM 470 C ALA A 451 -6.050 -6.841 -10.392 1.00 0.00 C ATOM 471 O ALA A 451 -6.684 -7.486 -11.227 1.00 0.00 O ATOM 472 CB ALA A 451 -4.644 -8.567 -9.164 1.00 0.00 C ATOM 0 H ALA A 451 -6.845 -8.990 -8.185 1.00 0.00 H new ATOM 0 HA ALA A 451 -5.267 -6.674 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 451 -3.742 -8.163 -9.625 1.00 0.00 H new ATOM 0 HB2 ALA A 451 -4.404 -8.953 -8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 451 -5.037 -9.374 -9.783 1.00 0.00 H new ATOM 478 N PRO A 452 -5.617 -5.565 -10.572 1.00 0.00 N ATOM 479 CA PRO A 452 -4.872 -4.874 -9.533 1.00 0.00 C ATOM 480 C PRO A 452 -5.797 -4.437 -8.395 1.00 0.00 C ATOM 481 O PRO A 452 -6.909 -3.970 -8.638 1.00 0.00 O ATOM 482 CB PRO A 452 -4.204 -3.705 -10.238 1.00 0.00 C ATOM 483 CG PRO A 452 -4.965 -3.514 -11.540 1.00 0.00 C ATOM 484 CD PRO A 452 -5.822 -4.749 -11.765 1.00 0.00 C ATOM 0 HA PRO A 452 -4.127 -5.511 -9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -4.245 -2.804 -9.626 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -3.151 -3.913 -10.428 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -5.588 -2.621 -11.490 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -4.272 -3.374 -12.370 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -6.872 -4.485 -11.888 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -5.519 -5.282 -12.666 1.00 0.00 H new ATOM 492 N GLY A 453 -5.303 -4.603 -7.177 1.00 0.00 N ATOM 493 CA GLY A 453 -6.071 -4.231 -6.001 1.00 0.00 C ATOM 494 C GLY A 453 -6.877 -2.955 -6.253 1.00 0.00 C ATOM 495 O GLY A 453 -7.867 -2.976 -6.984 1.00 0.00 O ATOM 0 H GLY A 453 -4.380 -4.990 -6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -6.745 -5.044 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -5.399 -4.080 -5.156 1.00 0.00 H new ATOM 499 N VAL A 454 -6.424 -1.875 -5.634 1.00 0.00 N ATOM 500 CA VAL A 454 -7.091 -0.592 -5.782 1.00 0.00 C ATOM 501 C VAL A 454 -6.051 0.484 -6.099 1.00 0.00 C ATOM 502 O VAL A 454 -4.892 0.368 -5.706 1.00 0.00 O ATOM 503 CB VAL A 454 -7.910 -0.281 -4.528 1.00 0.00 C ATOM 504 CG1 VAL A 454 -7.029 0.323 -3.433 1.00 0.00 C ATOM 505 CG2 VAL A 454 -9.086 0.641 -4.857 1.00 0.00 C ATOM 0 H VAL A 454 -5.603 -1.862 -5.029 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.794 -0.620 -6.614 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.315 -1.220 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.636 0.535 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.241 -0.383 -3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.581 1.248 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -9.652 0.847 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.710 1.577 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.735 0.157 -5.587 1.00 0.00 H new ATOM 515 N LYS A 455 -6.504 1.508 -6.808 1.00 0.00 N ATOM 516 CA LYS A 455 -5.627 2.605 -7.183 1.00 0.00 C ATOM 517 C LYS A 455 -5.445 3.539 -5.985 1.00 0.00 C ATOM 518 O LYS A 455 -6.417 4.084 -5.465 1.00 0.00 O ATOM 519 CB LYS A 455 -6.154 3.307 -8.436 1.00 0.00 C ATOM 520 CG LYS A 455 -5.481 4.668 -8.626 1.00 0.00 C ATOM 521 CD LYS A 455 -6.515 5.796 -8.630 1.00 0.00 C ATOM 522 CE LYS A 455 -6.068 6.945 -9.536 1.00 0.00 C ATOM 523 NZ LYS A 455 -7.107 7.998 -9.587 1.00 0.00 N ATOM 0 H LYS A 455 -7.466 1.601 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 455 -4.639 2.230 -7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -5.973 2.682 -9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -7.233 3.439 -8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -4.759 4.835 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -4.926 4.675 -9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -7.476 5.412 -8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -6.661 6.164 -7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -5.133 7.366 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -5.873 6.569 -10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -6.788 8.771 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -7.990 7.596 -9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -7.274 8.368 -8.629 1.00 0.00 H new ATOM 536 N MET A 456 -4.192 3.694 -5.583 1.00 0.00 N ATOM 537 CA MET A 456 -3.870 4.552 -4.455 1.00 0.00 C ATOM 538 C MET A 456 -4.434 5.960 -4.659 1.00 0.00 C ATOM 539 O MET A 456 -4.077 6.643 -5.618 1.00 0.00 O ATOM 540 CB MET A 456 -2.351 4.630 -4.291 1.00 0.00 C ATOM 541 CG MET A 456 -1.786 3.303 -3.778 1.00 0.00 C ATOM 542 SD MET A 456 -0.457 2.756 -4.836 1.00 0.00 S ATOM 543 CE MET A 456 0.615 2.003 -3.623 1.00 0.00 C ATOM 0 H MET A 456 -3.388 3.241 -6.018 1.00 0.00 H new ATOM 0 HA MET A 456 -4.320 4.126 -3.558 1.00 0.00 H new ATOM 0 HB2 MET A 456 -1.891 4.880 -5.247 1.00 0.00 H new ATOM 0 HB3 MET A 456 -2.097 5.430 -3.596 1.00 0.00 H new ATOM 0 HG2 MET A 456 -1.423 3.423 -2.757 1.00 0.00 H new ATOM 0 HG3 MET A 456 -2.573 2.550 -3.750 1.00 0.00 H new ATOM 0 HE1 MET A 456 1.654 2.211 -3.877 1.00 0.00 H new ATOM 0 HE2 MET A 456 0.393 2.412 -2.637 1.00 0.00 H new ATOM 0 HE3 MET A 456 0.453 0.925 -3.613 1.00 0.00 H new ATOM 553 N GLN A 457 -5.305 6.352 -3.741 1.00 0.00 N ATOM 554 CA GLN A 457 -5.922 7.666 -3.808 1.00 0.00 C ATOM 555 C GLN A 457 -4.854 8.745 -3.998 1.00 0.00 C ATOM 556 O GLN A 457 -3.660 8.456 -3.953 1.00 0.00 O ATOM 557 CB GLN A 457 -6.764 7.940 -2.560 1.00 0.00 C ATOM 558 CG GLN A 457 -7.629 6.730 -2.204 1.00 0.00 C ATOM 559 CD GLN A 457 -8.259 6.119 -3.458 1.00 0.00 C ATOM 560 OE1 GLN A 457 -8.119 4.799 -3.545 1.00 0.00 O flip ATOM 561 NE2 GLN A 457 -8.834 6.801 -4.290 1.00 0.00 N flip ATOM 0 H GLN A 457 -5.598 5.783 -2.947 1.00 0.00 H new ATOM 0 HA GLN A 457 -6.590 7.689 -4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 457 -6.110 8.183 -1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 457 -7.400 8.809 -2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 457 -7.022 5.981 -1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 457 -8.413 7.030 -1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 457 -8.905 7.810 -4.161 1.00 0.00 H new ATOM 0 HE22 GLN A 457 -9.244 6.362 -5.115 1.00 0.00 H new ATOM 570 N ASP A 458 -5.324 9.967 -4.205 1.00 0.00 N ATOM 571 CA ASP A 458 -4.424 11.090 -4.403 1.00 0.00 C ATOM 572 C ASP A 458 -4.070 11.699 -3.044 1.00 0.00 C ATOM 573 O ASP A 458 -4.951 11.952 -2.225 1.00 0.00 O ATOM 574 CB ASP A 458 -5.081 12.180 -5.252 1.00 0.00 C ATOM 575 CG ASP A 458 -6.324 11.735 -6.026 1.00 0.00 C ATOM 576 OD1 ASP A 458 -6.250 10.864 -6.906 1.00 0.00 O ATOM 577 OD2 ASP A 458 -7.418 12.330 -5.689 1.00 0.00 O ATOM 0 H ASP A 458 -6.316 10.203 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 458 -3.534 10.723 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 458 -5.354 13.011 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -4.346 12.559 -5.962 1.00 0.00 H new ATOM 583 N ALA A 459 -2.777 11.916 -2.848 1.00 0.00 N ATOM 584 CA ALA A 459 -2.295 12.489 -1.603 1.00 0.00 C ATOM 585 C ALA A 459 -1.750 13.893 -1.871 1.00 0.00 C ATOM 586 O ALA A 459 -0.641 14.045 -2.381 1.00 0.00 O ATOM 587 CB ALA A 459 -1.245 11.563 -0.987 1.00 0.00 C ATOM 0 H ALA A 459 -2.049 11.705 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 459 -3.108 12.583 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.884 11.993 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 459 -1.691 10.588 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 459 -0.411 11.447 -1.679 1.00 0.00 H new ATOM 593 N GLU A 460 -2.554 14.884 -1.514 1.00 0.00 N ATOM 594 CA GLU A 460 -2.166 16.271 -1.711 1.00 0.00 C ATOM 595 C GLU A 460 -0.843 16.557 -0.997 1.00 0.00 C ATOM 596 O GLU A 460 -0.187 17.559 -1.277 1.00 0.00 O ATOM 597 CB GLU A 460 -3.265 17.221 -1.231 1.00 0.00 C ATOM 598 CG GLU A 460 -3.463 17.111 0.282 1.00 0.00 C ATOM 599 CD GLU A 460 -4.601 18.019 0.753 1.00 0.00 C ATOM 600 OE1 GLU A 460 -5.743 17.870 0.295 1.00 0.00 O ATOM 601 OE2 GLU A 460 -4.265 18.904 1.629 1.00 0.00 O ATOM 0 H GLU A 460 -3.472 14.754 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 460 -2.025 16.442 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.004 18.246 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.200 16.989 -1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.683 16.077 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.540 17.383 0.794 1.00 0.00 H new ATOM 609 N ILE A 461 -0.491 15.659 -0.088 1.00 0.00 N ATOM 610 CA ILE A 461 0.741 15.804 0.668 1.00 0.00 C ATOM 611 C ILE A 461 1.758 16.586 -0.166 1.00 0.00 C ATOM 612 O ILE A 461 2.368 17.536 0.324 1.00 0.00 O ATOM 613 CB ILE A 461 1.249 14.437 1.132 1.00 0.00 C ATOM 614 CG1 ILE A 461 0.210 13.735 2.010 1.00 0.00 C ATOM 615 CG2 ILE A 461 2.602 14.563 1.834 1.00 0.00 C ATOM 616 CD1 ILE A 461 -0.526 14.741 2.897 1.00 0.00 C ATOM 0 H ILE A 461 -1.037 14.829 0.142 1.00 0.00 H new ATOM 0 HA ILE A 461 0.564 16.379 1.577 1.00 0.00 H new ATOM 0 HB ILE A 461 1.401 13.813 0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 461 -0.506 13.207 1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 461 0.700 12.986 2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 461 2.939 13.577 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 461 3.331 14.991 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 461 2.501 15.211 2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 461 -1.259 14.217 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 461 0.190 15.250 3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 461 -1.035 15.474 2.271 1.00 0.00 H new ATOM 628 N SER A 462 1.909 16.159 -1.411 1.00 0.00 N ATOM 629 CA SER A 462 2.841 16.807 -2.317 1.00 0.00 C ATOM 630 C SER A 462 3.257 15.836 -3.423 1.00 0.00 C ATOM 631 O SER A 462 4.443 15.698 -3.719 1.00 0.00 O ATOM 632 CB SER A 462 4.073 17.317 -1.567 1.00 0.00 C ATOM 633 OG SER A 462 3.896 18.649 -1.092 1.00 0.00 O ATOM 0 H SER A 462 1.401 15.371 -1.814 1.00 0.00 H new ATOM 0 HA SER A 462 2.341 17.665 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 462 4.284 16.657 -0.725 1.00 0.00 H new ATOM 0 HB3 SER A 462 4.940 17.280 -2.226 1.00 0.00 H new ATOM 0 HG SER A 462 3.468 18.628 -0.211 1.00 0.00 H new ATOM 639 N GLY A 463 2.258 15.187 -4.004 1.00 0.00 N ATOM 640 CA GLY A 463 2.506 14.232 -5.071 1.00 0.00 C ATOM 641 C GLY A 463 2.642 12.813 -4.515 1.00 0.00 C ATOM 642 O GLY A 463 3.488 12.044 -4.969 1.00 0.00 O ATOM 0 H GLY A 463 1.276 15.304 -3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 463 1.690 14.267 -5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 463 3.416 14.506 -5.605 1.00 0.00 H new ATOM 646 N TYR A 464 1.797 12.509 -3.541 1.00 0.00 N ATOM 647 CA TYR A 464 1.813 11.196 -2.919 1.00 0.00 C ATOM 648 C TYR A 464 0.484 10.470 -3.138 1.00 0.00 C ATOM 649 O TYR A 464 -0.461 11.045 -3.675 1.00 0.00 O ATOM 650 CB TYR A 464 2.005 11.442 -1.421 1.00 0.00 C ATOM 651 CG TYR A 464 3.470 11.463 -0.977 1.00 0.00 C ATOM 652 CD1 TYR A 464 4.444 11.930 -1.835 1.00 0.00 C ATOM 653 CD2 TYR A 464 3.815 11.015 0.281 1.00 0.00 C ATOM 654 CE1 TYR A 464 5.822 11.950 -1.418 1.00 0.00 C ATOM 655 CE2 TYR A 464 5.193 11.035 0.699 1.00 0.00 C ATOM 656 CZ TYR A 464 6.129 11.501 -0.171 1.00 0.00 C ATOM 657 OH TYR A 464 7.430 11.520 0.224 1.00 0.00 O ATOM 0 H TYR A 464 1.097 13.150 -3.167 1.00 0.00 H new ATOM 0 HA TYR A 464 2.603 10.578 -3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 464 1.542 12.393 -1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 464 1.479 10.666 -0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 464 4.173 12.281 -2.820 1.00 0.00 H new ATOM 0 HD2 TYR A 464 3.052 10.649 0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 464 6.594 12.313 -2.080 1.00 0.00 H new ATOM 0 HE2 TYR A 464 5.477 10.688 1.681 1.00 0.00 H new ATOM 0 HH TYR A 464 7.897 12.257 -0.222 1.00 0.00 H new ATOM 667 N ALA A 465 0.455 9.216 -2.711 1.00 0.00 N ATOM 668 CA ALA A 465 -0.742 8.404 -2.854 1.00 0.00 C ATOM 669 C ALA A 465 -1.209 7.944 -1.472 1.00 0.00 C ATOM 670 O ALA A 465 -0.391 7.672 -0.595 1.00 0.00 O ATOM 671 CB ALA A 465 -0.454 7.231 -3.793 1.00 0.00 C ATOM 0 H ALA A 465 1.241 8.742 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 465 -1.550 8.986 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -1.352 6.622 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -0.155 7.612 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 465 0.350 6.622 -3.379 1.00 0.00 H new ATOM 677 N LYS A 466 -2.523 7.872 -1.321 1.00 0.00 N ATOM 678 CA LYS A 466 -3.109 7.451 -0.060 1.00 0.00 C ATOM 679 C LYS A 466 -4.127 6.338 -0.322 1.00 0.00 C ATOM 680 O LYS A 466 -4.859 6.382 -1.309 1.00 0.00 O ATOM 681 CB LYS A 466 -3.690 8.652 0.689 1.00 0.00 C ATOM 682 CG LYS A 466 -2.580 9.591 1.165 1.00 0.00 C ATOM 683 CD LYS A 466 -3.140 10.973 1.508 1.00 0.00 C ATOM 684 CE LYS A 466 -4.180 10.881 2.627 1.00 0.00 C ATOM 685 NZ LYS A 466 -4.749 12.216 2.916 1.00 0.00 N ATOM 0 H LYS A 466 -3.199 8.098 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.344 7.036 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.375 9.194 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.270 8.306 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.090 9.166 2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -1.821 9.685 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.328 11.632 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -3.593 11.416 0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -4.976 10.195 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.720 10.473 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.453 12.136 3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -3.989 12.860 3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.206 12.591 2.060 1.00 0.00 H new ATOM 698 N ILE A 467 -4.140 5.368 0.580 1.00 0.00 N ATOM 699 CA ILE A 467 -5.055 4.246 0.458 1.00 0.00 C ATOM 700 C ILE A 467 -5.386 3.710 1.853 1.00 0.00 C ATOM 701 O ILE A 467 -4.488 3.457 2.654 1.00 0.00 O ATOM 702 CB ILE A 467 -4.483 3.188 -0.487 1.00 0.00 C ATOM 703 CG1 ILE A 467 -5.534 2.734 -1.503 1.00 0.00 C ATOM 704 CG2 ILE A 467 -3.898 2.011 0.296 1.00 0.00 C ATOM 705 CD1 ILE A 467 -6.445 1.659 -0.906 1.00 0.00 C ATOM 0 H ILE A 467 -3.532 5.336 1.398 1.00 0.00 H new ATOM 0 HA ILE A 467 -5.994 4.568 0.008 1.00 0.00 H new ATOM 0 HB ILE A 467 -3.665 3.639 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -6.132 3.588 -1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -5.040 2.344 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -3.498 1.274 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -3.099 2.368 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -4.680 1.552 0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -7.183 1.354 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -5.846 0.796 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -6.956 2.060 -0.031 1.00 0.00 H new ATOM 717 N THR A 468 -6.678 3.552 2.100 1.00 0.00 N ATOM 718 CA THR A 468 -7.139 3.051 3.383 1.00 0.00 C ATOM 719 C THR A 468 -7.983 1.790 3.192 1.00 0.00 C ATOM 720 O THR A 468 -8.921 1.781 2.396 1.00 0.00 O ATOM 721 CB THR A 468 -7.888 4.182 4.091 1.00 0.00 C ATOM 722 OG1 THR A 468 -7.083 5.334 3.854 1.00 0.00 O ATOM 723 CG2 THR A 468 -7.878 4.028 5.613 1.00 0.00 C ATOM 0 H THR A 468 -7.420 3.762 1.433 1.00 0.00 H new ATOM 0 HA THR A 468 -6.302 2.751 4.014 1.00 0.00 H new ATOM 0 HB THR A 468 -8.918 4.213 3.736 1.00 0.00 H new ATOM 0 HG1 THR A 468 -7.497 6.115 4.278 1.00 0.00 H new ATOM 0 HG21 THR A 468 -8.423 4.856 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 468 -8.355 3.087 5.887 1.00 0.00 H new ATOM 0 HG23 THR A 468 -6.849 4.031 5.972 1.00 0.00 H new ATOM 731 N VAL A 469 -7.620 0.755 3.935 1.00 0.00 N ATOM 732 CA VAL A 469 -8.332 -0.509 3.856 1.00 0.00 C ATOM 733 C VAL A 469 -8.655 -0.997 5.270 1.00 0.00 C ATOM 734 O VAL A 469 -7.800 -0.959 6.154 1.00 0.00 O ATOM 735 CB VAL A 469 -7.517 -1.520 3.047 1.00 0.00 C ATOM 736 CG1 VAL A 469 -8.361 -2.745 2.689 1.00 0.00 C ATOM 737 CG2 VAL A 469 -6.931 -0.872 1.791 1.00 0.00 C ATOM 0 H VAL A 469 -6.842 0.766 4.595 1.00 0.00 H new ATOM 0 HA VAL A 469 -9.279 -0.381 3.331 1.00 0.00 H new ATOM 0 HB VAL A 469 -6.687 -1.856 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 469 -7.757 -3.447 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 469 -8.708 -3.228 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 469 -9.220 -2.434 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 469 -6.356 -1.612 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 469 -7.740 -0.495 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 469 -6.279 -0.047 2.078 1.00 0.00 H new ATOM 747 N ASP A 470 -9.890 -1.444 5.440 1.00 0.00 N ATOM 748 CA ASP A 470 -10.336 -1.938 6.732 1.00 0.00 C ATOM 749 C ASP A 470 -9.899 -3.395 6.894 1.00 0.00 C ATOM 750 O ASP A 470 -9.865 -4.149 5.923 1.00 0.00 O ATOM 751 CB ASP A 470 -11.861 -1.886 6.845 1.00 0.00 C ATOM 752 CG ASP A 470 -12.440 -2.552 8.095 1.00 0.00 C ATOM 753 OD1 ASP A 470 -12.670 -1.894 9.120 1.00 0.00 O ATOM 754 OD2 ASP A 470 -12.659 -3.818 7.986 1.00 0.00 O ATOM 0 H ASP A 470 -10.596 -1.475 4.705 1.00 0.00 H new ATOM 0 HA ASP A 470 -9.896 -1.308 7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -12.176 -0.843 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -12.292 -2.363 5.965 1.00 0.00 H new ATOM 760 N ILE A 471 -9.576 -3.748 8.130 1.00 0.00 N ATOM 761 CA ILE A 471 -9.143 -5.102 8.432 1.00 0.00 C ATOM 762 C ILE A 471 -9.937 -5.632 9.627 1.00 0.00 C ATOM 763 O ILE A 471 -9.496 -6.557 10.308 1.00 0.00 O ATOM 764 CB ILE A 471 -7.626 -5.147 8.632 1.00 0.00 C ATOM 765 CG1 ILE A 471 -7.215 -4.361 9.879 1.00 0.00 C ATOM 766 CG2 ILE A 471 -6.894 -4.660 7.380 1.00 0.00 C ATOM 767 CD1 ILE A 471 -5.745 -4.610 10.223 1.00 0.00 C ATOM 0 H ILE A 471 -9.605 -3.120 8.933 1.00 0.00 H new ATOM 0 HA ILE A 471 -9.350 -5.765 7.592 1.00 0.00 H new ATOM 0 HB ILE A 471 -7.332 -6.184 8.794 1.00 0.00 H new ATOM 0 HG12 ILE A 471 -7.378 -3.296 9.712 1.00 0.00 H new ATOM 0 HG13 ILE A 471 -7.844 -4.652 10.721 1.00 0.00 H new ATOM 0 HG21 ILE A 471 -5.818 -4.702 7.548 1.00 0.00 H new ATOM 0 HG22 ILE A 471 -7.154 -5.298 6.535 1.00 0.00 H new ATOM 0 HG23 ILE A 471 -7.188 -3.633 7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 471 -5.478 -4.040 11.113 1.00 0.00 H new ATOM 0 HD12 ILE A 471 -5.591 -5.672 10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 471 -5.118 -4.295 9.389 1.00 0.00 H new ATOM 779 N GLY A 472 -11.093 -5.023 9.846 1.00 0.00 N ATOM 780 CA GLY A 472 -11.952 -5.423 10.948 1.00 0.00 C ATOM 781 C GLY A 472 -12.141 -6.941 10.973 1.00 0.00 C ATOM 782 O GLY A 472 -13.125 -7.456 10.444 1.00 0.00 O ATOM 0 H GLY A 472 -11.455 -4.256 9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -11.518 -5.091 11.891 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -12.922 -4.934 10.854 1.00 0.00 H new ATOM 786 N SER A 473 -11.184 -7.614 11.594 1.00 0.00 N ATOM 787 CA SER A 473 -11.233 -9.063 11.695 1.00 0.00 C ATOM 788 C SER A 473 -9.816 -9.639 11.648 1.00 0.00 C ATOM 789 O SER A 473 -9.608 -10.809 11.962 1.00 0.00 O ATOM 790 CB SER A 473 -12.089 -9.664 10.579 1.00 0.00 C ATOM 791 OG SER A 473 -13.467 -9.721 10.934 1.00 0.00 O ATOM 0 H SER A 473 -10.370 -7.183 12.032 1.00 0.00 H new ATOM 0 HA SER A 473 -11.692 -9.325 12.648 1.00 0.00 H new ATOM 0 HB2 SER A 473 -11.973 -9.069 9.673 1.00 0.00 H new ATOM 0 HB3 SER A 473 -11.732 -10.668 10.349 1.00 0.00 H new ATOM 0 HG SER A 473 -13.834 -8.813 10.967 1.00 0.00 H new ATOM 797 N ALA A 474 -8.880 -8.790 11.251 1.00 0.00 N ATOM 798 CA ALA A 474 -7.489 -9.200 11.158 1.00 0.00 C ATOM 799 C ALA A 474 -6.617 -8.213 11.937 1.00 0.00 C ATOM 800 O ALA A 474 -6.811 -7.002 11.845 1.00 0.00 O ATOM 801 CB ALA A 474 -7.084 -9.299 9.686 1.00 0.00 C ATOM 0 H ALA A 474 -9.057 -7.820 10.990 1.00 0.00 H new ATOM 0 HA ALA A 474 -7.349 -10.185 11.602 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -6.041 -9.606 9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -7.714 -10.034 9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -7.209 -8.327 9.208 1.00 0.00 H new ATOM 807 N SER A 475 -5.676 -8.768 12.686 1.00 0.00 N ATOM 808 CA SER A 475 -4.774 -7.952 13.482 1.00 0.00 C ATOM 809 C SER A 475 -3.685 -7.354 12.589 1.00 0.00 C ATOM 810 O SER A 475 -2.894 -6.526 13.038 1.00 0.00 O ATOM 811 CB SER A 475 -4.146 -8.768 14.613 1.00 0.00 C ATOM 812 OG SER A 475 -2.730 -8.864 14.478 1.00 0.00 O ATOM 0 H SER A 475 -5.518 -9.773 12.759 1.00 0.00 H new ATOM 0 HA SER A 475 -5.350 -7.144 13.932 1.00 0.00 H new ATOM 0 HB2 SER A 475 -4.389 -8.307 15.571 1.00 0.00 H new ATOM 0 HB3 SER A 475 -4.578 -9.769 14.622 1.00 0.00 H new ATOM 0 HG SER A 475 -2.366 -9.391 15.220 1.00 0.00 H new ATOM 818 N GLN A 476 -3.678 -7.798 11.340 1.00 0.00 N ATOM 819 CA GLN A 476 -2.699 -7.317 10.381 1.00 0.00 C ATOM 820 C GLN A 476 -3.253 -7.421 8.959 1.00 0.00 C ATOM 821 O GLN A 476 -4.215 -8.148 8.715 1.00 0.00 O ATOM 822 CB GLN A 476 -1.381 -8.084 10.512 1.00 0.00 C ATOM 823 CG GLN A 476 -0.313 -7.226 11.194 1.00 0.00 C ATOM 824 CD GLN A 476 1.084 -7.809 10.971 1.00 0.00 C ATOM 825 OE1 GLN A 476 1.108 -9.136 10.883 1.00 0.00 O flip ATOM 826 NE2 GLN A 476 2.073 -7.101 10.884 1.00 0.00 N flip ATOM 0 H GLN A 476 -4.335 -8.485 10.971 1.00 0.00 H new ATOM 0 HA GLN A 476 -2.495 -6.268 10.595 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.542 -8.996 11.087 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -1.033 -8.388 9.525 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -0.353 -6.210 10.802 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -0.519 -7.164 12.263 1.00 0.00 H new ATOM 0 HE21 GLN A 476 1.983 -6.088 10.961 1.00 0.00 H new ATOM 0 HE22 GLN A 476 2.990 -7.522 10.734 1.00 0.00 H new ATOM 835 N LEU A 477 -2.623 -6.683 8.057 1.00 0.00 N ATOM 836 CA LEU A 477 -3.042 -6.682 6.665 1.00 0.00 C ATOM 837 C LEU A 477 -1.812 -6.535 5.767 1.00 0.00 C ATOM 838 O LEU A 477 -0.876 -5.811 6.104 1.00 0.00 O ATOM 839 CB LEU A 477 -4.109 -5.612 6.428 1.00 0.00 C ATOM 840 CG LEU A 477 -4.102 -4.952 5.047 1.00 0.00 C ATOM 841 CD1 LEU A 477 -4.946 -5.752 4.053 1.00 0.00 C ATOM 842 CD2 LEU A 477 -4.550 -3.492 5.135 1.00 0.00 C ATOM 0 H LEU A 477 -1.825 -6.081 8.263 1.00 0.00 H new ATOM 0 HA LEU A 477 -3.513 -7.631 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.089 -6.062 6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -3.988 -4.834 7.181 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.078 -4.952 4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -4.924 -5.262 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -4.541 -6.760 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -5.975 -5.805 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -4.536 -3.047 4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -5.561 -3.445 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -3.872 -2.942 5.788 1.00 0.00 H new ATOM 854 N GLU A 478 -1.854 -7.232 4.641 1.00 0.00 N ATOM 855 CA GLU A 478 -0.755 -7.188 3.692 1.00 0.00 C ATOM 856 C GLU A 478 -1.066 -6.201 2.565 1.00 0.00 C ATOM 857 O GLU A 478 -2.225 -6.021 2.195 1.00 0.00 O ATOM 858 CB GLU A 478 -0.456 -8.581 3.134 1.00 0.00 C ATOM 859 CG GLU A 478 0.079 -9.507 4.228 1.00 0.00 C ATOM 860 CD GLU A 478 -0.587 -10.882 4.157 1.00 0.00 C ATOM 861 OE1 GLU A 478 -1.795 -11.000 4.411 1.00 0.00 O ATOM 862 OE2 GLU A 478 0.197 -11.851 3.822 1.00 0.00 O ATOM 0 H GLU A 478 -2.632 -7.831 4.365 1.00 0.00 H new ATOM 0 HA GLU A 478 0.137 -6.843 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 478 -1.363 -9.007 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 478 0.274 -8.505 2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 478 1.158 -9.616 4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 478 -0.101 -9.062 5.206 1.00 0.00 H new ATOM 870 N ALA A 479 -0.010 -5.587 2.052 1.00 0.00 N ATOM 871 CA ALA A 479 -0.156 -4.623 0.975 1.00 0.00 C ATOM 872 C ALA A 479 0.973 -4.822 -0.039 1.00 0.00 C ATOM 873 O ALA A 479 2.030 -5.352 0.300 1.00 0.00 O ATOM 874 CB ALA A 479 -0.175 -3.207 1.556 1.00 0.00 C ATOM 0 H ALA A 479 0.950 -5.738 2.362 1.00 0.00 H new ATOM 0 HA ALA A 479 -1.100 -4.773 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 479 -0.285 -2.484 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 479 -1.012 -3.109 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 479 0.758 -3.019 2.087 1.00 0.00 H new ATOM 880 N ALA A 480 0.711 -4.385 -1.262 1.00 0.00 N ATOM 881 CA ALA A 480 1.692 -4.509 -2.327 1.00 0.00 C ATOM 882 C ALA A 480 1.575 -3.306 -3.265 1.00 0.00 C ATOM 883 O ALA A 480 0.504 -2.714 -3.390 1.00 0.00 O ATOM 884 CB ALA A 480 1.488 -5.839 -3.056 1.00 0.00 C ATOM 0 H ALA A 480 -0.166 -3.945 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 480 2.703 -4.512 -1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 480 2.224 -5.933 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 480 1.610 -6.662 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 480 0.485 -5.871 -3.481 1.00 0.00 H new ATOM 890 N PHE A 481 2.691 -2.981 -3.900 1.00 0.00 N ATOM 891 CA PHE A 481 2.727 -1.859 -4.822 1.00 0.00 C ATOM 892 C PHE A 481 2.888 -2.340 -6.266 1.00 0.00 C ATOM 893 O PHE A 481 3.640 -3.276 -6.532 1.00 0.00 O ATOM 894 CB PHE A 481 3.940 -1.007 -4.443 1.00 0.00 C ATOM 895 CG PHE A 481 4.403 -0.056 -5.549 1.00 0.00 C ATOM 896 CD1 PHE A 481 3.488 0.663 -6.254 1.00 0.00 C ATOM 897 CD2 PHE A 481 5.728 0.072 -5.826 1.00 0.00 C ATOM 898 CE1 PHE A 481 3.917 1.546 -7.280 1.00 0.00 C ATOM 899 CE2 PHE A 481 6.157 0.955 -6.852 1.00 0.00 C ATOM 900 CZ PHE A 481 5.242 1.673 -7.558 1.00 0.00 C ATOM 0 H PHE A 481 3.577 -3.475 -3.794 1.00 0.00 H new ATOM 0 HA PHE A 481 1.797 -1.295 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 481 3.698 -0.424 -3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 481 4.766 -1.667 -4.176 1.00 0.00 H new ATOM 0 HD1 PHE A 481 2.436 0.562 -6.033 1.00 0.00 H new ATOM 0 HD2 PHE A 481 6.454 -0.498 -5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 481 3.191 2.117 -7.840 1.00 0.00 H new ATOM 0 HE2 PHE A 481 7.209 1.057 -7.072 1.00 0.00 H new ATOM 0 HZ PHE A 481 5.568 2.344 -8.339 1.00 0.00 H new ATOM 910 N ASN A 482 2.168 -1.678 -7.160 1.00 0.00 N ATOM 911 CA ASN A 482 2.221 -2.028 -8.570 1.00 0.00 C ATOM 912 C ASN A 482 1.663 -0.869 -9.399 1.00 0.00 C ATOM 913 O ASN A 482 0.632 -0.294 -9.053 1.00 0.00 O ATOM 914 CB ASN A 482 1.376 -3.269 -8.862 1.00 0.00 C ATOM 915 CG ASN A 482 0.196 -3.369 -7.893 1.00 0.00 C ATOM 916 OD1 ASN A 482 -0.679 -2.520 -7.850 1.00 0.00 O ATOM 917 ND2 ASN A 482 0.220 -4.451 -7.121 1.00 0.00 N ATOM 0 H ASN A 482 1.545 -0.902 -6.936 1.00 0.00 H new ATOM 0 HA ASN A 482 3.260 -2.231 -8.829 1.00 0.00 H new ATOM 0 HB2 ASN A 482 1.007 -3.229 -9.887 1.00 0.00 H new ATOM 0 HB3 ASN A 482 1.995 -4.162 -8.780 1.00 0.00 H new ATOM 0 HD21 ASN A 482 -0.524 -4.609 -6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 482 0.982 -5.123 -7.208 1.00 0.00 H new ATOM 924 N ASP A 483 2.368 -0.562 -10.478 1.00 0.00 N ATOM 925 CA ASP A 483 1.956 0.517 -11.359 1.00 0.00 C ATOM 926 C ASP A 483 0.805 0.036 -12.244 1.00 0.00 C ATOM 927 O ASP A 483 0.182 0.831 -12.946 1.00 0.00 O ATOM 928 CB ASP A 483 3.104 0.952 -12.271 1.00 0.00 C ATOM 929 CG ASP A 483 3.776 -0.180 -13.050 1.00 0.00 C ATOM 930 OD1 ASP A 483 3.435 -1.361 -12.882 1.00 0.00 O ATOM 931 OD2 ASP A 483 4.699 0.194 -13.870 1.00 0.00 O ATOM 0 H ASP A 483 3.222 -1.042 -10.762 1.00 0.00 H new ATOM 0 HA ASP A 483 1.649 1.359 -10.739 1.00 0.00 H new ATOM 0 HB2 ASP A 483 2.725 1.687 -12.982 1.00 0.00 H new ATOM 0 HB3 ASP A 483 3.859 1.454 -11.666 1.00 0.00 H new ATOM 937 N GLY A 484 0.556 -1.264 -12.182 1.00 0.00 N ATOM 938 CA GLY A 484 -0.509 -1.861 -12.970 1.00 0.00 C ATOM 939 C GLY A 484 -0.046 -2.129 -14.403 1.00 0.00 C ATOM 940 O GLY A 484 -0.737 -2.802 -15.167 1.00 0.00 O ATOM 0 H GLY A 484 1.074 -1.921 -11.598 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -0.830 -2.794 -12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -1.374 -1.197 -12.981 1.00 0.00 H new ATOM 944 N ASN A 485 1.120 -1.588 -14.726 1.00 0.00 N ATOM 945 CA ASN A 485 1.683 -1.760 -16.055 1.00 0.00 C ATOM 946 C ASN A 485 2.398 -3.110 -16.130 1.00 0.00 C ATOM 947 O ASN A 485 2.466 -3.723 -17.194 1.00 0.00 O ATOM 948 CB ASN A 485 2.705 -0.665 -16.366 1.00 0.00 C ATOM 949 CG ASN A 485 3.674 -1.115 -17.460 1.00 0.00 C ATOM 950 OD1 ASN A 485 4.633 -1.932 -17.032 1.00 0.00 O flip ATOM 951 ND2 ASN A 485 3.560 -0.746 -18.617 1.00 0.00 N flip ATOM 0 H ASN A 485 1.690 -1.030 -14.090 1.00 0.00 H new ATOM 0 HA ASN A 485 0.868 -1.707 -16.776 1.00 0.00 H new ATOM 0 HB2 ASN A 485 2.188 0.241 -16.683 1.00 0.00 H new ATOM 0 HB3 ASN A 485 3.261 -0.415 -15.463 1.00 0.00 H new ATOM 0 HD21 ASN A 485 2.800 -0.118 -18.879 1.00 0.00 H new ATOM 0 HD22 ASN A 485 4.224 -1.066 -19.322 1.00 0.00 H new ATOM 958 N ASN A 486 2.915 -3.534 -14.986 1.00 0.00 N ATOM 959 CA ASN A 486 3.624 -4.801 -14.909 1.00 0.00 C ATOM 960 C ASN A 486 4.663 -4.731 -13.788 1.00 0.00 C ATOM 961 O ASN A 486 5.115 -5.761 -13.290 1.00 0.00 O ATOM 962 CB ASN A 486 4.358 -5.101 -16.217 1.00 0.00 C ATOM 963 CG ASN A 486 5.490 -6.106 -15.992 1.00 0.00 C ATOM 964 OD1 ASN A 486 6.611 -5.562 -15.527 1.00 0.00 O flip ATOM 965 ND2 ASN A 486 5.354 -7.296 -16.224 1.00 0.00 N flip ATOM 0 H ASN A 486 2.857 -3.023 -14.105 1.00 0.00 H new ATOM 0 HA ASN A 486 2.893 -5.586 -14.718 1.00 0.00 H new ATOM 0 HB2 ASN A 486 3.655 -5.497 -16.950 1.00 0.00 H new ATOM 0 HB3 ASN A 486 4.763 -4.178 -16.631 1.00 0.00 H new ATOM 0 HD21 ASN A 486 4.465 -7.648 -16.580 1.00 0.00 H new ATOM 0 HD22 ASN A 486 6.129 -7.939 -16.062 1.00 0.00 H new ATOM 972 N ASN A 487 5.013 -3.506 -13.424 1.00 0.00 N ATOM 973 CA ASN A 487 5.991 -3.288 -12.372 1.00 0.00 C ATOM 974 C ASN A 487 5.305 -3.411 -11.010 1.00 0.00 C ATOM 975 O ASN A 487 4.500 -2.558 -10.637 1.00 0.00 O ATOM 976 CB ASN A 487 6.602 -1.889 -12.469 1.00 0.00 C ATOM 977 CG ASN A 487 7.289 -1.683 -13.820 1.00 0.00 C ATOM 978 OD1 ASN A 487 8.486 -1.865 -13.972 1.00 0.00 O ATOM 979 ND2 ASN A 487 6.468 -1.294 -14.791 1.00 0.00 N ATOM 0 H ASN A 487 4.636 -2.654 -13.839 1.00 0.00 H new ATOM 0 HA ASN A 487 6.778 -4.034 -12.484 1.00 0.00 H new ATOM 0 HB2 ASN A 487 5.823 -1.138 -12.335 1.00 0.00 H new ATOM 0 HB3 ASN A 487 7.324 -1.747 -11.665 1.00 0.00 H new ATOM 0 HD21 ASN A 487 6.831 -1.130 -15.730 1.00 0.00 H new ATOM 0 HD22 ASN A 487 5.476 -1.160 -14.597 1.00 0.00 H new ATOM 986 N TRP A 488 5.648 -4.478 -10.305 1.00 0.00 N ATOM 987 CA TRP A 488 5.075 -4.724 -8.992 1.00 0.00 C ATOM 988 C TRP A 488 6.198 -4.619 -7.959 1.00 0.00 C ATOM 989 O TRP A 488 7.373 -4.565 -8.317 1.00 0.00 O ATOM 990 CB TRP A 488 4.351 -6.071 -8.954 1.00 0.00 C ATOM 991 CG TRP A 488 3.073 -6.116 -9.795 1.00 0.00 C ATOM 992 CD1 TRP A 488 2.879 -5.624 -11.026 1.00 0.00 C ATOM 993 CD2 TRP A 488 1.813 -6.706 -9.414 1.00 0.00 C ATOM 994 NE1 TRP A 488 1.591 -5.854 -11.465 1.00 0.00 N ATOM 995 CE2 TRP A 488 0.922 -6.533 -10.453 1.00 0.00 C ATOM 996 CE3 TRP A 488 1.438 -7.365 -8.230 1.00 0.00 C ATOM 997 CZ2 TRP A 488 -0.401 -6.990 -10.414 1.00 0.00 C ATOM 998 CZ3 TRP A 488 0.113 -7.816 -8.206 1.00 0.00 C ATOM 999 CH2 TRP A 488 -0.797 -7.649 -9.244 1.00 0.00 C ATOM 0 H TRP A 488 6.316 -5.183 -10.618 1.00 0.00 H new ATOM 0 HA TRP A 488 4.315 -3.979 -8.757 1.00 0.00 H new ATOM 0 HB2 TRP A 488 5.031 -6.847 -9.304 1.00 0.00 H new ATOM 0 HB3 TRP A 488 4.101 -6.308 -7.920 1.00 0.00 H new ATOM 0 HD1 TRP A 488 3.635 -5.112 -11.602 1.00 0.00 H new ATOM 0 HE1 TRP A 488 1.202 -5.577 -12.366 1.00 0.00 H new ATOM 0 HE3 TRP A 488 2.118 -7.512 -7.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 488 -1.079 -6.842 -11.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 488 -0.226 -8.330 -7.319 1.00 0.00 H new ATOM 0 HH2 TRP A 488 -1.805 -8.026 -9.148 1.00 0.00 H new ATOM 1010 N ASP A 489 5.797 -4.595 -6.696 1.00 0.00 N ATOM 1011 CA ASP A 489 6.754 -4.497 -5.608 1.00 0.00 C ATOM 1012 C ASP A 489 6.085 -4.937 -4.304 1.00 0.00 C ATOM 1013 O ASP A 489 5.481 -4.123 -3.607 1.00 0.00 O ATOM 1014 CB ASP A 489 7.239 -3.057 -5.428 1.00 0.00 C ATOM 1015 CG ASP A 489 8.696 -2.811 -5.825 1.00 0.00 C ATOM 1016 OD1 ASP A 489 9.552 -2.534 -4.971 1.00 0.00 O ATOM 1017 OD2 ASP A 489 8.943 -2.915 -7.087 1.00 0.00 O ATOM 0 H ASP A 489 4.821 -4.642 -6.402 1.00 0.00 H new ATOM 0 HA ASP A 489 7.604 -5.136 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 489 6.601 -2.398 -6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 489 7.110 -2.774 -4.383 1.00 0.00 H new ATOM 1023 N SER A 490 6.216 -6.223 -4.014 1.00 0.00 N ATOM 1024 CA SER A 490 5.631 -6.781 -2.807 1.00 0.00 C ATOM 1025 C SER A 490 6.637 -7.704 -2.116 1.00 0.00 C ATOM 1026 O SER A 490 7.081 -8.692 -2.699 1.00 0.00 O ATOM 1027 CB SER A 490 4.341 -7.542 -3.120 1.00 0.00 C ATOM 1028 OG SER A 490 4.081 -7.598 -4.520 1.00 0.00 O ATOM 0 H SER A 490 6.719 -6.895 -4.594 1.00 0.00 H new ATOM 0 HA SER A 490 5.382 -5.958 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 490 4.412 -8.555 -2.724 1.00 0.00 H new ATOM 0 HB3 SER A 490 3.504 -7.060 -2.615 1.00 0.00 H new ATOM 0 HG SER A 490 3.250 -8.093 -4.679 1.00 0.00 H new ATOM 1034 N ASN A 491 6.968 -7.348 -0.883 1.00 0.00 N ATOM 1035 CA ASN A 491 7.914 -8.132 -0.107 1.00 0.00 C ATOM 1036 C ASN A 491 8.978 -8.711 -1.041 1.00 0.00 C ATOM 1037 O ASN A 491 9.447 -9.829 -0.837 1.00 0.00 O ATOM 1038 CB ASN A 491 7.217 -9.299 0.596 1.00 0.00 C ATOM 1039 CG ASN A 491 7.994 -9.732 1.840 1.00 0.00 C ATOM 1040 OD1 ASN A 491 9.214 -9.751 1.867 1.00 0.00 O ATOM 1041 ND2 ASN A 491 7.222 -10.079 2.866 1.00 0.00 N ATOM 0 H ASN A 491 6.598 -6.528 -0.403 1.00 0.00 H new ATOM 0 HA ASN A 491 8.362 -7.476 0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 491 6.206 -9.007 0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 491 7.126 -10.140 -0.091 1.00 0.00 H new ATOM 0 HD21 ASN A 491 7.645 -10.384 3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 491 6.207 -10.040 2.776 1.00 0.00 H new ATOM 1048 N ASN A 492 9.328 -7.923 -2.048 1.00 0.00 N ATOM 1049 CA ASN A 492 10.328 -8.343 -3.014 1.00 0.00 C ATOM 1050 C ASN A 492 9.640 -9.078 -4.167 1.00 0.00 C ATOM 1051 O ASN A 492 9.994 -8.887 -5.329 1.00 0.00 O ATOM 1052 CB ASN A 492 11.339 -9.300 -2.380 1.00 0.00 C ATOM 1053 CG ASN A 492 12.663 -9.286 -3.147 1.00 0.00 C ATOM 1054 OD1 ASN A 492 12.840 -9.966 -4.145 1.00 0.00 O ATOM 1055 ND2 ASN A 492 13.581 -8.475 -2.628 1.00 0.00 N ATOM 0 H ASN A 492 8.936 -6.996 -2.215 1.00 0.00 H new ATOM 0 HA ASN A 492 10.848 -7.453 -3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 492 11.513 -9.016 -1.342 1.00 0.00 H new ATOM 0 HB3 ASN A 492 10.931 -10.311 -2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 492 14.498 -8.395 -3.068 1.00 0.00 H new ATOM 0 HD22 ASN A 492 13.368 -7.933 -1.790 1.00 0.00 H new ATOM 1062 N THR A 493 8.669 -9.904 -3.804 1.00 0.00 N ATOM 1063 CA THR A 493 7.928 -10.669 -4.792 1.00 0.00 C ATOM 1064 C THR A 493 6.891 -11.562 -4.109 1.00 0.00 C ATOM 1065 O THR A 493 6.745 -12.731 -4.461 1.00 0.00 O ATOM 1066 CB THR A 493 8.936 -11.447 -5.640 1.00 0.00 C ATOM 1067 OG1 THR A 493 8.130 -12.328 -6.417 1.00 0.00 O ATOM 1068 CG2 THR A 493 9.808 -12.383 -4.801 1.00 0.00 C ATOM 0 H THR A 493 8.379 -10.060 -2.839 1.00 0.00 H new ATOM 0 HA THR A 493 7.360 -10.015 -5.454 1.00 0.00 H new ATOM 0 HB THR A 493 9.572 -10.746 -6.181 1.00 0.00 H new ATOM 0 HG1 THR A 493 7.679 -12.966 -5.825 1.00 0.00 H new ATOM 0 HG21 THR A 493 10.506 -12.911 -5.451 1.00 0.00 H new ATOM 0 HG22 THR A 493 10.366 -11.801 -4.067 1.00 0.00 H new ATOM 0 HG23 THR A 493 9.175 -13.105 -4.286 1.00 0.00 H new ATOM 1076 N LYS A 494 6.198 -10.977 -3.143 1.00 0.00 N ATOM 1077 CA LYS A 494 5.180 -11.705 -2.406 1.00 0.00 C ATOM 1078 C LYS A 494 4.087 -10.733 -1.958 1.00 0.00 C ATOM 1079 O LYS A 494 3.029 -10.654 -2.581 1.00 0.00 O ATOM 1080 CB LYS A 494 5.810 -12.493 -1.256 1.00 0.00 C ATOM 1081 CG LYS A 494 7.121 -13.150 -1.694 1.00 0.00 C ATOM 1082 CD LYS A 494 7.730 -13.971 -0.557 1.00 0.00 C ATOM 1083 CE LYS A 494 8.631 -15.081 -1.103 1.00 0.00 C ATOM 1084 NZ LYS A 494 9.086 -15.966 -0.008 1.00 0.00 N ATOM 0 H LYS A 494 6.322 -10.007 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 494 4.705 -12.447 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 494 5.997 -11.827 -0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 494 5.114 -13.257 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 494 6.939 -13.793 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 494 7.827 -12.383 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 494 8.307 -13.319 0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 494 6.935 -14.408 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 494 8.089 -15.664 -1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 494 9.493 -14.643 -1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 494 9.696 -16.713 -0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 494 9.621 -15.409 0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 494 8.261 -16.398 0.455 1.00 0.00 H new ATOM 1097 N ASN A 495 4.380 -10.017 -0.883 1.00 0.00 N ATOM 1098 CA ASN A 495 3.435 -9.053 -0.345 1.00 0.00 C ATOM 1099 C ASN A 495 3.899 -8.611 1.045 1.00 0.00 C ATOM 1100 O ASN A 495 4.315 -9.437 1.856 1.00 0.00 O ATOM 1101 CB ASN A 495 2.041 -9.667 -0.205 1.00 0.00 C ATOM 1102 CG ASN A 495 1.989 -10.646 0.971 1.00 0.00 C ATOM 1103 OD1 ASN A 495 1.124 -10.580 1.829 1.00 0.00 O ATOM 1104 ND2 ASN A 495 2.960 -11.554 0.961 1.00 0.00 N ATOM 0 H ASN A 495 5.259 -10.085 -0.370 1.00 0.00 H new ATOM 0 HA ASN A 495 3.389 -8.207 -1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 495 1.305 -8.877 -0.058 1.00 0.00 H new ATOM 0 HB3 ASN A 495 1.773 -10.185 -1.126 1.00 0.00 H new ATOM 0 HD21 ASN A 495 3.013 -12.252 1.702 1.00 0.00 H new ATOM 0 HD22 ASN A 495 3.652 -11.552 0.212 1.00 0.00 H new ATOM 1111 N TYR A 496 3.812 -7.310 1.277 1.00 0.00 N ATOM 1112 CA TYR A 496 4.218 -6.748 2.554 1.00 0.00 C ATOM 1113 C TYR A 496 3.125 -6.935 3.607 1.00 0.00 C ATOM 1114 O TYR A 496 1.969 -7.189 3.270 1.00 0.00 O ATOM 1115 CB TYR A 496 4.425 -5.252 2.310 1.00 0.00 C ATOM 1116 CG TYR A 496 5.651 -4.924 1.456 1.00 0.00 C ATOM 1117 CD1 TYR A 496 6.896 -5.390 1.828 1.00 0.00 C ATOM 1118 CD2 TYR A 496 5.512 -4.162 0.314 1.00 0.00 C ATOM 1119 CE1 TYR A 496 8.050 -5.081 1.024 1.00 0.00 C ATOM 1120 CE2 TYR A 496 6.667 -3.853 -0.490 1.00 0.00 C ATOM 1121 CZ TYR A 496 7.878 -4.328 -0.095 1.00 0.00 C ATOM 1122 OH TYR A 496 8.968 -4.036 -0.854 1.00 0.00 O ATOM 0 H TYR A 496 3.466 -6.628 0.602 1.00 0.00 H new ATOM 0 HA TYR A 496 5.119 -7.240 2.921 1.00 0.00 H new ATOM 0 HB2 TYR A 496 3.537 -4.848 1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 496 4.519 -4.747 3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 496 7.005 -5.986 2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 496 4.538 -3.797 0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 496 9.030 -5.439 1.303 1.00 0.00 H new ATOM 0 HE2 TYR A 496 6.573 -3.258 -1.386 1.00 0.00 H new ATOM 0 HH TYR A 496 8.695 -3.492 -1.622 1.00 0.00 H new ATOM 1132 N SER A 497 3.528 -6.803 4.863 1.00 0.00 N ATOM 1133 CA SER A 497 2.597 -6.955 5.968 1.00 0.00 C ATOM 1134 C SER A 497 2.635 -5.712 6.859 1.00 0.00 C ATOM 1135 O SER A 497 3.709 -5.198 7.168 1.00 0.00 O ATOM 1136 CB SER A 497 2.916 -8.206 6.789 1.00 0.00 C ATOM 1137 OG SER A 497 2.236 -8.211 8.041 1.00 0.00 O ATOM 0 H SER A 497 4.487 -6.592 5.139 1.00 0.00 H new ATOM 0 HA SER A 497 1.594 -7.069 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 497 2.636 -9.093 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 497 3.991 -8.263 6.960 1.00 0.00 H new ATOM 0 HG SER A 497 2.381 -9.071 8.489 1.00 0.00 H new ATOM 1143 N PHE A 498 1.450 -5.264 7.246 1.00 0.00 N ATOM 1144 CA PHE A 498 1.335 -4.090 8.095 1.00 0.00 C ATOM 1145 C PHE A 498 0.253 -4.288 9.159 1.00 0.00 C ATOM 1146 O PHE A 498 -0.683 -5.061 8.963 1.00 0.00 O ATOM 1147 CB PHE A 498 0.936 -2.922 7.191 1.00 0.00 C ATOM 1148 CG PHE A 498 1.842 -2.742 5.971 1.00 0.00 C ATOM 1149 CD1 PHE A 498 3.192 -2.821 6.109 1.00 0.00 C ATOM 1150 CD2 PHE A 498 1.296 -2.503 4.748 1.00 0.00 C ATOM 1151 CE1 PHE A 498 4.033 -2.654 4.977 1.00 0.00 C ATOM 1152 CE2 PHE A 498 2.136 -2.336 3.616 1.00 0.00 C ATOM 1153 CZ PHE A 498 3.487 -2.415 3.754 1.00 0.00 C ATOM 0 H PHE A 498 0.561 -5.692 6.988 1.00 0.00 H new ATOM 0 HA PHE A 498 2.280 -3.905 8.605 1.00 0.00 H new ATOM 0 HB2 PHE A 498 -0.089 -3.073 6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 498 0.946 -2.003 7.777 1.00 0.00 H new ATOM 0 HD1 PHE A 498 3.625 -3.011 7.080 1.00 0.00 H new ATOM 0 HD2 PHE A 498 0.223 -2.440 4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 498 5.106 -2.717 5.087 1.00 0.00 H new ATOM 0 HE2 PHE A 498 1.703 -2.146 2.645 1.00 0.00 H new ATOM 0 HZ PHE A 498 4.126 -2.288 2.893 1.00 0.00 H new ATOM 1163 N SER A 499 0.419 -3.575 10.264 1.00 0.00 N ATOM 1164 CA SER A 499 -0.531 -3.663 11.360 1.00 0.00 C ATOM 1165 C SER A 499 -1.411 -2.411 11.391 1.00 0.00 C ATOM 1166 O SER A 499 -0.992 -1.343 10.949 1.00 0.00 O ATOM 1167 CB SER A 499 0.188 -3.840 12.699 1.00 0.00 C ATOM 1168 OG SER A 499 1.573 -3.521 12.607 1.00 0.00 O ATOM 0 H SER A 499 1.197 -2.934 10.423 1.00 0.00 H new ATOM 0 HA SER A 499 -1.160 -4.538 11.198 1.00 0.00 H new ATOM 0 HB2 SER A 499 -0.281 -3.204 13.449 1.00 0.00 H new ATOM 0 HB3 SER A 499 0.075 -4.870 13.038 1.00 0.00 H new ATOM 0 HG SER A 499 1.996 -3.645 13.482 1.00 0.00 H new ATOM 1174 N THR A 500 -2.614 -2.586 11.919 1.00 0.00 N ATOM 1175 CA THR A 500 -3.557 -1.484 12.013 1.00 0.00 C ATOM 1176 C THR A 500 -2.814 -0.164 12.230 1.00 0.00 C ATOM 1177 O THR A 500 -1.759 -0.137 12.863 1.00 0.00 O ATOM 1178 CB THR A 500 -4.555 -1.809 13.126 1.00 0.00 C ATOM 1179 OG1 THR A 500 -3.734 -2.177 14.231 1.00 0.00 O ATOM 1180 CG2 THR A 500 -5.370 -3.070 12.831 1.00 0.00 C ATOM 0 H THR A 500 -2.957 -3.474 12.286 1.00 0.00 H new ATOM 0 HA THR A 500 -4.113 -1.359 11.084 1.00 0.00 H new ATOM 0 HB THR A 500 -5.230 -0.965 13.267 1.00 0.00 H new ATOM 0 HG1 THR A 500 -4.300 -2.402 14.998 1.00 0.00 H new ATOM 0 HG21 THR A 500 -6.063 -3.256 13.652 1.00 0.00 H new ATOM 0 HG22 THR A 500 -5.931 -2.933 11.907 1.00 0.00 H new ATOM 0 HG23 THR A 500 -4.698 -3.921 12.724 1.00 0.00 H new ATOM 1188 N GLY A 501 -3.393 0.900 11.692 1.00 0.00 N ATOM 1189 CA GLY A 501 -2.799 2.220 11.818 1.00 0.00 C ATOM 1190 C GLY A 501 -2.494 2.817 10.443 1.00 0.00 C ATOM 1191 O GLY A 501 -3.237 2.599 9.488 1.00 0.00 O ATOM 0 H GLY A 501 -4.268 0.874 11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -3.477 2.878 12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -1.881 2.155 12.402 1.00 0.00 H new ATOM 1195 N THR A 502 -1.398 3.559 10.387 1.00 0.00 N ATOM 1196 CA THR A 502 -0.984 4.190 9.145 1.00 0.00 C ATOM 1197 C THR A 502 0.475 3.852 8.834 1.00 0.00 C ATOM 1198 O THR A 502 1.326 3.887 9.721 1.00 0.00 O ATOM 1199 CB THR A 502 -1.247 5.692 9.267 1.00 0.00 C ATOM 1200 OG1 THR A 502 -2.490 5.772 9.960 1.00 0.00 O ATOM 1201 CG2 THR A 502 -1.530 6.350 7.915 1.00 0.00 C ATOM 0 H THR A 502 -0.784 3.738 11.182 1.00 0.00 H new ATOM 0 HA THR A 502 -1.559 3.812 8.300 1.00 0.00 H new ATOM 0 HB THR A 502 -0.386 6.174 9.731 1.00 0.00 H new ATOM 0 HG1 THR A 502 -2.736 6.713 10.083 1.00 0.00 H new ATOM 0 HG21 THR A 502 -1.710 7.415 8.059 1.00 0.00 H new ATOM 0 HG22 THR A 502 -0.672 6.213 7.257 1.00 0.00 H new ATOM 0 HG23 THR A 502 -2.410 5.891 7.464 1.00 0.00 H new ATOM 1209 N SER A 503 0.719 3.532 7.572 1.00 0.00 N ATOM 1210 CA SER A 503 2.061 3.187 7.133 1.00 0.00 C ATOM 1211 C SER A 503 2.401 3.940 5.846 1.00 0.00 C ATOM 1212 O SER A 503 1.517 4.229 5.040 1.00 0.00 O ATOM 1213 CB SER A 503 2.199 1.678 6.917 1.00 0.00 C ATOM 1214 OG SER A 503 0.931 1.037 6.802 1.00 0.00 O ATOM 0 H SER A 503 0.010 3.504 6.839 1.00 0.00 H new ATOM 0 HA SER A 503 2.762 3.481 7.914 1.00 0.00 H new ATOM 0 HB2 SER A 503 2.782 1.493 6.015 1.00 0.00 H new ATOM 0 HB3 SER A 503 2.752 1.242 7.749 1.00 0.00 H new ATOM 0 HG SER A 503 1.062 0.076 6.663 1.00 0.00 H new ATOM 1220 N THR A 504 3.683 4.238 5.693 1.00 0.00 N ATOM 1221 CA THR A 504 4.150 4.953 4.518 1.00 0.00 C ATOM 1222 C THR A 504 4.984 4.029 3.628 1.00 0.00 C ATOM 1223 O THR A 504 5.787 3.241 4.125 1.00 0.00 O ATOM 1224 CB THR A 504 4.913 6.192 4.991 1.00 0.00 C ATOM 1225 OG1 THR A 504 3.888 7.105 5.374 1.00 0.00 O ATOM 1226 CG2 THR A 504 5.638 6.905 3.848 1.00 0.00 C ATOM 0 H THR A 504 4.413 3.997 6.364 1.00 0.00 H new ATOM 0 HA THR A 504 3.316 5.284 3.899 1.00 0.00 H new ATOM 0 HB THR A 504 5.635 5.904 5.755 1.00 0.00 H new ATOM 0 HG1 THR A 504 4.003 7.349 6.316 1.00 0.00 H new ATOM 0 HG21 THR A 504 6.163 7.777 4.238 1.00 0.00 H new ATOM 0 HG22 THR A 504 6.355 6.223 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.912 7.223 3.099 1.00 0.00 H new ATOM 1234 N TYR A 505 4.765 4.157 2.328 1.00 0.00 N ATOM 1235 CA TYR A 505 5.485 3.343 1.364 1.00 0.00 C ATOM 1236 C TYR A 505 6.366 4.211 0.463 1.00 0.00 C ATOM 1237 O TYR A 505 5.868 5.096 -0.232 1.00 0.00 O ATOM 1238 CB TYR A 505 4.418 2.659 0.507 1.00 0.00 C ATOM 1239 CG TYR A 505 4.955 1.525 -0.368 1.00 0.00 C ATOM 1240 CD1 TYR A 505 5.901 1.791 -1.338 1.00 0.00 C ATOM 1241 CD2 TYR A 505 4.493 0.237 -0.189 1.00 0.00 C ATOM 1242 CE1 TYR A 505 6.406 0.724 -2.162 1.00 0.00 C ATOM 1243 CE2 TYR A 505 4.999 -0.830 -1.013 1.00 0.00 C ATOM 1244 CZ TYR A 505 5.930 -0.534 -1.959 1.00 0.00 C ATOM 1245 OH TYR A 505 6.408 -1.542 -2.738 1.00 0.00 O ATOM 0 H TYR A 505 4.099 4.813 1.919 1.00 0.00 H new ATOM 0 HA TYR A 505 6.133 2.629 1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 505 3.641 2.263 1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 505 3.947 3.405 -0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.262 2.799 -1.478 1.00 0.00 H new ATOM 0 HD2 TYR A 505 3.752 0.029 0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 505 7.146 0.918 -2.924 1.00 0.00 H new ATOM 0 HE2 TYR A 505 4.647 -1.843 -0.883 1.00 0.00 H new ATOM 0 HH TYR A 505 5.750 -2.268 -2.774 1.00 0.00 H new ATOM 1255 N THR A 506 7.660 3.928 0.503 1.00 0.00 N ATOM 1256 CA THR A 506 8.614 4.672 -0.301 1.00 0.00 C ATOM 1257 C THR A 506 9.365 3.730 -1.244 1.00 0.00 C ATOM 1258 O THR A 506 9.623 2.577 -0.902 1.00 0.00 O ATOM 1259 CB THR A 506 9.534 5.441 0.649 1.00 0.00 C ATOM 1260 OG1 THR A 506 8.769 6.584 1.024 1.00 0.00 O ATOM 1261 CG2 THR A 506 10.754 6.027 -0.064 1.00 0.00 C ATOM 0 H THR A 506 8.070 3.193 1.080 1.00 0.00 H new ATOM 0 HA THR A 506 8.111 5.394 -0.945 1.00 0.00 H new ATOM 0 HB THR A 506 9.865 4.779 1.449 1.00 0.00 H new ATOM 0 HG1 THR A 506 9.202 7.034 1.779 1.00 0.00 H new ATOM 0 HG21 THR A 506 11.374 6.562 0.655 1.00 0.00 H new ATOM 0 HG22 THR A 506 11.334 5.221 -0.514 1.00 0.00 H new ATOM 0 HG23 THR A 506 10.425 6.715 -0.842 1.00 0.00 H new ATOM 1269 N PRO A 507 9.704 4.271 -2.446 1.00 0.00 N ATOM 1270 CA PRO A 507 10.421 3.492 -3.441 1.00 0.00 C ATOM 1271 C PRO A 507 11.893 3.333 -3.058 1.00 0.00 C ATOM 1272 O PRO A 507 12.485 4.235 -2.466 1.00 0.00 O ATOM 1273 CB PRO A 507 10.225 4.246 -4.746 1.00 0.00 C ATOM 1274 CG PRO A 507 9.804 5.653 -4.355 1.00 0.00 C ATOM 1275 CD PRO A 507 9.416 5.632 -2.886 1.00 0.00 C ATOM 0 HA PRO A 507 10.047 2.472 -3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 507 11.145 4.262 -5.330 1.00 0.00 H new ATOM 0 HB3 PRO A 507 9.464 3.768 -5.363 1.00 0.00 H new ATOM 0 HG2 PRO A 507 10.619 6.356 -4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 507 8.965 5.984 -4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 507 9.989 6.362 -2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 507 8.363 5.877 -2.751 1.00 0.00 H new ATOM 1283 N GLY A 508 12.443 2.180 -3.410 1.00 0.00 N ATOM 1284 CA GLY A 508 13.835 1.891 -3.109 1.00 0.00 C ATOM 1285 C GLY A 508 14.761 2.920 -3.762 1.00 0.00 C ATOM 1286 O GLY A 508 15.380 2.640 -4.787 1.00 0.00 O ATOM 0 H GLY A 508 11.949 1.435 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 508 13.986 1.894 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 508 14.088 0.892 -3.464 1.00 0.00 H new ATOM 1290 N ASN A 509 14.826 4.088 -3.140 1.00 0.00 N ATOM 1291 CA ASN A 509 15.666 5.160 -3.648 1.00 0.00 C ATOM 1292 C ASN A 509 17.132 4.724 -3.590 1.00 0.00 C ATOM 1293 O ASN A 509 17.854 5.086 -2.663 1.00 0.00 O ATOM 1294 CB ASN A 509 15.515 6.425 -2.802 1.00 0.00 C ATOM 1295 CG ASN A 509 14.537 7.406 -3.452 1.00 0.00 C ATOM 1296 OD1 ASN A 509 14.735 7.879 -4.559 1.00 0.00 O ATOM 1297 ND2 ASN A 509 13.473 7.684 -2.704 1.00 0.00 N ATOM 0 H ASN A 509 14.311 4.316 -2.289 1.00 0.00 H new ATOM 0 HA ASN A 509 15.360 5.373 -4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 509 15.162 6.160 -1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 509 16.487 6.903 -2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 509 12.761 8.328 -3.049 1.00 0.00 H new ATOM 0 HD22 ASN A 509 13.369 7.253 -1.785 1.00 0.00 H new ATOM 1304 N SER A 510 17.527 3.954 -4.593 1.00 0.00 N ATOM 1305 CA SER A 510 18.893 3.464 -4.668 1.00 0.00 C ATOM 1306 C SER A 510 19.209 2.605 -3.442 1.00 0.00 C ATOM 1307 O SER A 510 19.023 3.043 -2.308 1.00 0.00 O ATOM 1308 CB SER A 510 19.887 4.622 -4.774 1.00 0.00 C ATOM 1309 OG SER A 510 20.046 5.068 -6.119 1.00 0.00 O ATOM 0 H SER A 510 16.925 3.657 -5.361 1.00 0.00 H new ATOM 0 HA SER A 510 18.989 2.854 -5.566 1.00 0.00 H new ATOM 0 HB2 SER A 510 19.545 5.451 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 510 20.853 4.308 -4.380 1.00 0.00 H new ATOM 0 HG SER A 510 20.687 5.809 -6.144 1.00 0.00 H new ATOM 1315 N GLY A 511 19.680 1.396 -3.713 1.00 0.00 N ATOM 1316 CA GLY A 511 20.024 0.471 -2.646 1.00 0.00 C ATOM 1317 C GLY A 511 18.768 -0.029 -1.929 1.00 0.00 C ATOM 1318 O GLY A 511 18.654 -1.215 -1.624 1.00 0.00 O ATOM 0 H GLY A 511 19.831 1.036 -4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 511 20.574 -0.376 -3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 511 20.684 0.963 -1.931 1.00 0.00 H new ATOM 1322 N ASN A 512 17.857 0.900 -1.682 1.00 0.00 N ATOM 1323 CA ASN A 512 16.614 0.569 -1.006 1.00 0.00 C ATOM 1324 C ASN A 512 15.717 -0.226 -1.958 1.00 0.00 C ATOM 1325 O ASN A 512 15.925 -0.210 -3.170 1.00 0.00 O ATOM 1326 CB ASN A 512 15.858 1.833 -0.591 1.00 0.00 C ATOM 1327 CG ASN A 512 16.578 2.551 0.552 1.00 0.00 C ATOM 1328 OD1 ASN A 512 17.371 3.456 0.350 1.00 0.00 O ATOM 1329 ND2 ASN A 512 16.260 2.099 1.762 1.00 0.00 N ATOM 0 H ASN A 512 17.955 1.883 -1.938 1.00 0.00 H new ATOM 0 HA ASN A 512 16.859 -0.013 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 512 15.766 2.503 -1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 512 14.846 1.571 -0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 512 16.688 2.513 2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 512 15.588 1.338 1.862 1.00 0.00 H new ATOM 1336 N ALA A 513 14.740 -0.903 -1.372 1.00 0.00 N ATOM 1337 CA ALA A 513 13.812 -1.703 -2.153 1.00 0.00 C ATOM 1338 C ALA A 513 12.451 -1.725 -1.454 1.00 0.00 C ATOM 1339 O ALA A 513 12.206 -2.565 -0.590 1.00 0.00 O ATOM 1340 CB ALA A 513 14.388 -3.107 -2.350 1.00 0.00 C ATOM 0 H ALA A 513 14.571 -0.914 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 513 13.668 -1.267 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 513 13.692 -3.707 -2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 513 15.340 -3.039 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 513 14.543 -3.576 -1.378 1.00 0.00 H new ATOM 1346 N GLY A 514 11.601 -0.790 -1.855 1.00 0.00 N ATOM 1347 CA GLY A 514 10.272 -0.691 -1.278 1.00 0.00 C ATOM 1348 C GLY A 514 10.341 -0.613 0.249 1.00 0.00 C ATOM 1349 O GLY A 514 10.244 -1.632 0.931 1.00 0.00 O ATOM 0 H GLY A 514 11.808 -0.095 -2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 514 9.767 0.193 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 514 9.677 -1.555 -1.575 1.00 0.00 H new ATOM 1353 N THR A 515 10.508 0.606 0.740 1.00 0.00 N ATOM 1354 CA THR A 515 10.592 0.830 2.173 1.00 0.00 C ATOM 1355 C THR A 515 9.208 1.139 2.747 1.00 0.00 C ATOM 1356 O THR A 515 8.406 1.820 2.110 1.00 0.00 O ATOM 1357 CB THR A 515 11.613 1.942 2.419 1.00 0.00 C ATOM 1358 OG1 THR A 515 11.490 2.785 1.277 1.00 0.00 O ATOM 1359 CG2 THR A 515 13.056 1.437 2.354 1.00 0.00 C ATOM 0 H THR A 515 10.587 1.449 0.171 1.00 0.00 H new ATOM 0 HA THR A 515 10.933 -0.065 2.693 1.00 0.00 H new ATOM 0 HB THR A 515 11.429 2.394 3.394 1.00 0.00 H new ATOM 0 HG1 THR A 515 12.131 2.503 0.592 1.00 0.00 H new ATOM 0 HG21 THR A 515 13.740 2.266 2.535 1.00 0.00 H new ATOM 0 HG22 THR A 515 13.207 0.669 3.113 1.00 0.00 H new ATOM 0 HG23 THR A 515 13.250 1.016 1.368 1.00 0.00 H new ATOM 1367 N ILE A 516 8.969 0.623 3.944 1.00 0.00 N ATOM 1368 CA ILE A 516 7.696 0.834 4.610 1.00 0.00 C ATOM 1369 C ILE A 516 7.941 1.471 5.979 1.00 0.00 C ATOM 1370 O ILE A 516 8.860 1.077 6.695 1.00 0.00 O ATOM 1371 CB ILE A 516 6.900 -0.471 4.672 1.00 0.00 C ATOM 1372 CG1 ILE A 516 7.041 -1.262 3.370 1.00 0.00 C ATOM 1373 CG2 ILE A 516 5.435 -0.204 5.025 1.00 0.00 C ATOM 1374 CD1 ILE A 516 7.545 -2.681 3.643 1.00 0.00 C ATOM 0 H ILE A 516 9.637 0.059 4.470 1.00 0.00 H new ATOM 0 HA ILE A 516 7.079 1.529 4.040 1.00 0.00 H new ATOM 0 HB ILE A 516 7.316 -1.087 5.469 1.00 0.00 H new ATOM 0 HG12 ILE A 516 6.078 -1.306 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 516 7.732 -0.749 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 516 4.892 -1.148 5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 516 5.378 0.286 5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 516 4.990 0.441 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 516 7.637 -3.222 2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 516 8.519 -2.634 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 516 6.839 -3.199 4.292 1.00 0.00 H new ATOM 1386 N THR A 517 7.103 2.445 6.302 1.00 0.00 N ATOM 1387 CA THR A 517 7.217 3.140 7.573 1.00 0.00 C ATOM 1388 C THR A 517 5.884 3.107 8.321 1.00 0.00 C ATOM 1389 O THR A 517 4.840 2.845 7.726 1.00 0.00 O ATOM 1390 CB THR A 517 7.721 4.558 7.293 1.00 0.00 C ATOM 1391 OG1 THR A 517 7.432 4.762 5.913 1.00 0.00 O ATOM 1392 CG2 THR A 517 9.246 4.664 7.373 1.00 0.00 C ATOM 0 H THR A 517 6.342 2.769 5.705 1.00 0.00 H new ATOM 0 HA THR A 517 7.934 2.647 8.229 1.00 0.00 H new ATOM 0 HB THR A 517 7.271 5.250 8.004 1.00 0.00 H new ATOM 0 HG1 THR A 517 7.863 5.587 5.607 1.00 0.00 H new ATOM 0 HG21 THR A 517 9.551 5.690 7.166 1.00 0.00 H new ATOM 0 HG22 THR A 517 9.579 4.381 8.372 1.00 0.00 H new ATOM 0 HG23 THR A 517 9.696 3.997 6.638 1.00 0.00 H new ATOM 1400 N SER A 518 5.961 3.375 9.617 1.00 0.00 N ATOM 1401 CA SER A 518 4.773 3.378 10.453 1.00 0.00 C ATOM 1402 C SER A 518 4.387 4.816 10.808 1.00 0.00 C ATOM 1403 O SER A 518 4.881 5.371 11.788 1.00 0.00 O ATOM 1404 CB SER A 518 4.993 2.558 11.726 1.00 0.00 C ATOM 1405 OG SER A 518 6.120 3.016 12.468 1.00 0.00 O ATOM 0 H SER A 518 6.828 3.592 10.108 1.00 0.00 H new ATOM 0 HA SER A 518 3.959 2.917 9.893 1.00 0.00 H new ATOM 0 HB2 SER A 518 4.101 2.612 12.351 1.00 0.00 H new ATOM 0 HB3 SER A 518 5.134 1.510 11.462 1.00 0.00 H new ATOM 0 HG SER A 518 6.068 3.989 12.575 1.00 0.00 H new ATOM 1411 N GLY A 519 3.507 5.377 9.991 1.00 0.00 N ATOM 1412 CA GLY A 519 3.049 6.739 10.206 1.00 0.00 C ATOM 1413 C GLY A 519 3.190 7.572 8.931 1.00 0.00 C ATOM 1414 O GLY A 519 4.234 7.548 8.281 1.00 0.00 O ATOM 0 H GLY A 519 3.099 4.913 9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 519 2.007 6.730 10.525 1.00 0.00 H new ATOM 0 HA3 GLY A 519 3.625 7.198 11.010 1.00 0.00 H new ATOM 1418 N ALA A 520 2.123 8.291 8.611 1.00 0.00 N ATOM 1419 CA ALA A 520 2.115 9.130 7.425 1.00 0.00 C ATOM 1420 C ALA A 520 3.243 10.158 7.525 1.00 0.00 C ATOM 1421 O ALA A 520 3.662 10.521 8.623 1.00 0.00 O ATOM 1422 CB ALA A 520 0.740 9.784 7.273 1.00 0.00 C ATOM 0 H ALA A 520 1.259 8.309 9.153 1.00 0.00 H new ATOM 0 HA ALA A 520 2.293 8.533 6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 520 0.733 10.414 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -0.022 9.011 7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 520 0.528 10.394 8.151 1.00 0.00 H new ATOM 1428 N PRO A 521 3.714 10.612 6.333 1.00 0.00 N ATOM 1429 CA PRO A 521 4.785 11.592 6.275 1.00 0.00 C ATOM 1430 C PRO A 521 4.273 12.986 6.643 1.00 0.00 C ATOM 1431 O PRO A 521 3.102 13.297 6.431 1.00 0.00 O ATOM 1432 CB PRO A 521 5.318 11.510 4.854 1.00 0.00 C ATOM 1433 CG PRO A 521 4.230 10.828 4.040 1.00 0.00 C ATOM 1434 CD PRO A 521 3.241 10.206 5.012 1.00 0.00 C ATOM 0 HA PRO A 521 5.578 11.391 6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 521 5.536 12.503 4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 521 6.247 10.942 4.818 1.00 0.00 H new ATOM 0 HG2 PRO A 521 3.728 11.548 3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 521 4.660 10.064 3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 521 2.227 10.562 4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 521 3.220 9.121 4.915 1.00 0.00 H new ATOM 1442 N ALA A 522 5.176 13.789 7.187 1.00 0.00 N ATOM 1443 CA ALA A 522 4.830 15.142 7.586 1.00 0.00 C ATOM 1444 C ALA A 522 5.412 16.132 6.575 1.00 0.00 C ATOM 1445 O ALA A 522 6.103 17.078 6.954 1.00 0.00 O ATOM 1446 CB ALA A 522 5.332 15.399 9.009 1.00 0.00 C ATOM 0 H ALA A 522 6.147 13.528 7.361 1.00 0.00 H new ATOM 0 HA ALA A 522 3.748 15.275 7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 522 5.072 16.414 9.309 1.00 0.00 H new ATOM 0 HB2 ALA A 522 4.867 14.689 9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 522 6.415 15.277 9.040 1.00 0.00 H new ATOM 1452 N GLY A 523 5.113 15.881 5.310 1.00 0.00 N ATOM 1453 CA GLY A 523 5.598 16.738 4.241 1.00 0.00 C ATOM 1454 C GLY A 523 4.445 17.224 3.361 1.00 0.00 C ATOM 1455 O GLY A 523 4.079 18.398 3.403 1.00 0.00 O ATOM 0 H GLY A 523 4.540 15.096 5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 523 6.122 17.594 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 523 6.320 16.193 3.633 1.00 0.00 H new TER 1459 GLY A 523