USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 576 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 496 TYR OH : rot 164:sc= -0.0704 USER MOD Set 1.2: A 505 TYR OH : rot 127:sc= -0.0645! USER MOD Set 2.1: A 476 GLN : amide:sc= -3.8! C(o=-6.5!,f=-9.3!) USER MOD Set 2.2: A 497 SER OG : rot -170:sc= -2.75! USER MOD Single : A 424 ASN : amide:sc= -2.11! C(o=-2.1!,f=-3!) USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 429 TYR OH : rot 180:sc= -0.424 USER MOD Single : A 430 TYR OH : rot 32:sc= -0.67! USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 LYS NZ :NH3+ -169:sc= 1.15 (180deg=1.04) USER MOD Single : A 435 ASN : amide:sc= -1.42! K(o=-1.4!,f=-0.4) USER MOD Single : A 436 SER OG : rot 180:sc= -1.64 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc= -6.16! K(o=-6.2!,f=-5) USER MOD Single : A 441 TYR OH : rot 180:sc= -0.426 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 THR OG1 : rot -143:sc= 0.321! USER MOD Single : A 455 LYS NZ :NH3+ -140:sc= -0.606 (180deg=-2.01!) USER MOD Single : A 456 MET CE :methyl -147:sc= -3.36! (180deg=-8.91!) USER MOD Single : A 457 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 462 SER OG : rot 78:sc= 1.04 USER MOD Single : A 464 TYR OH : rot 180:sc= 0 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 THR OG1 : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 85:sc= 1.01 USER MOD Single : A 475 SER OG : rot 180:sc= 0 USER MOD Single : A 482 ASN : amide:sc= -5.03! C(o=-5!,f=-7.3!) USER MOD Single : A 495 ASN : amide:sc= -1.63! C(o=-1.6!,f=-1.6!) USER MOD Single : A 499 SER OG : rot 180:sc= 0.0369 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.0326 USER MOD Single : A 503 SER OG : rot 166:sc= -0.96 USER MOD Single : A 504 THR OG1 : rot 125:sc= -2.04! USER MOD Single : A 506 THR OG1 : rot 180:sc= 0 USER MOD Single : A 515 THR OG1 : rot 53:sc= 0.536 USER MOD Single : A 517 THR OG1 : rot -178:sc= -1.65! USER MOD Single : A 518 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 424 -10.395 -3.012 13.181 1.00 0.00 N ATOM 37 CA ASN A 424 -9.192 -2.210 13.036 1.00 0.00 C ATOM 38 C ASN A 424 -9.081 -1.722 11.590 1.00 0.00 C ATOM 39 O ASN A 424 -9.711 -2.279 10.693 1.00 0.00 O ATOM 40 CB ASN A 424 -7.941 -3.030 13.356 1.00 0.00 C ATOM 41 CG ASN A 424 -7.545 -2.877 14.826 1.00 0.00 C ATOM 42 OD1 ASN A 424 -6.803 -1.986 15.206 1.00 0.00 O ATOM 43 ND2 ASN A 424 -8.081 -3.792 15.628 1.00 0.00 N ATOM 0 HA ASN A 424 -9.260 -1.372 13.729 1.00 0.00 H new ATOM 0 HB2 ASN A 424 -8.124 -4.081 13.133 1.00 0.00 H new ATOM 0 HB3 ASN A 424 -7.118 -2.707 12.719 1.00 0.00 H new ATOM 0 HD21 ASN A 424 -7.879 -3.775 16.628 1.00 0.00 H new ATOM 0 HD22 ASN A 424 -8.694 -4.511 15.244 1.00 0.00 H new ATOM 50 N LYS A 425 -8.274 -0.686 11.409 1.00 0.00 N ATOM 51 CA LYS A 425 -8.073 -0.116 10.088 1.00 0.00 C ATOM 52 C LYS A 425 -6.572 -0.003 9.810 1.00 0.00 C ATOM 53 O LYS A 425 -5.771 0.097 10.738 1.00 0.00 O ATOM 54 CB LYS A 425 -8.824 1.210 9.956 1.00 0.00 C ATOM 55 CG LYS A 425 -10.253 0.983 9.456 1.00 0.00 C ATOM 56 CD LYS A 425 -10.341 1.179 7.941 1.00 0.00 C ATOM 57 CE LYS A 425 -11.608 1.948 7.561 1.00 0.00 C ATOM 58 NZ LYS A 425 -12.016 1.622 6.177 1.00 0.00 N ATOM 0 H LYS A 425 -7.752 -0.227 12.156 1.00 0.00 H new ATOM 0 HA LYS A 425 -8.492 -0.770 9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -8.849 1.716 10.921 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -8.293 1.866 9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -10.577 -0.025 9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -10.931 1.675 9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -9.463 1.721 7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -10.337 0.209 7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -12.413 1.698 8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -11.431 3.020 7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -12.877 2.152 5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -11.253 1.882 5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -12.205 0.602 6.102 1.00 0.00 H new ATOM 71 N VAL A 426 -6.238 -0.023 8.528 1.00 0.00 N ATOM 72 CA VAL A 426 -4.848 0.076 8.116 1.00 0.00 C ATOM 73 C VAL A 426 -4.725 1.107 6.992 1.00 0.00 C ATOM 74 O VAL A 426 -5.393 0.994 5.966 1.00 0.00 O ATOM 75 CB VAL A 426 -4.320 -1.305 7.720 1.00 0.00 C ATOM 76 CG1 VAL A 426 -2.800 -1.281 7.547 1.00 0.00 C ATOM 77 CG2 VAL A 426 -4.739 -2.365 8.741 1.00 0.00 C ATOM 0 H VAL A 426 -6.906 -0.106 7.761 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.229 0.422 8.944 1.00 0.00 H new ATOM 0 HB VAL A 426 -4.762 -1.571 6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -2.450 -2.274 7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -2.534 -0.568 6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -2.332 -0.984 8.485 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -4.351 -3.337 8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -4.338 -2.105 9.721 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -5.827 -2.409 8.794 1.00 0.00 H new ATOM 87 N THR A 427 -3.867 2.090 7.225 1.00 0.00 N ATOM 88 CA THR A 427 -3.649 3.140 6.245 1.00 0.00 C ATOM 89 C THR A 427 -2.279 2.977 5.584 1.00 0.00 C ATOM 90 O THR A 427 -1.287 2.712 6.261 1.00 0.00 O ATOM 91 CB THR A 427 -3.828 4.487 6.949 1.00 0.00 C ATOM 92 OG1 THR A 427 -5.212 4.521 7.286 1.00 0.00 O ATOM 93 CG2 THR A 427 -3.647 5.673 5.999 1.00 0.00 C ATOM 0 H THR A 427 -3.315 2.181 8.078 1.00 0.00 H new ATOM 0 HA THR A 427 -4.375 3.081 5.434 1.00 0.00 H new ATOM 0 HB THR A 427 -3.114 4.566 7.768 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.416 5.361 7.748 1.00 0.00 H new ATOM 0 HG21 THR A 427 -3.784 6.604 6.549 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.644 5.648 5.573 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.383 5.613 5.198 1.00 0.00 H new ATOM 101 N ILE A 428 -2.269 3.142 4.270 1.00 0.00 N ATOM 102 CA ILE A 428 -1.037 3.016 3.510 1.00 0.00 C ATOM 103 C ILE A 428 -0.910 4.202 2.551 1.00 0.00 C ATOM 104 O ILE A 428 -1.783 4.423 1.713 1.00 0.00 O ATOM 105 CB ILE A 428 -0.972 1.654 2.816 1.00 0.00 C ATOM 106 CG1 ILE A 428 -0.464 0.574 3.773 1.00 0.00 C ATOM 107 CG2 ILE A 428 -0.134 1.729 1.538 1.00 0.00 C ATOM 108 CD1 ILE A 428 -1.451 -0.591 3.858 1.00 0.00 C ATOM 0 H ILE A 428 -3.094 3.362 3.712 1.00 0.00 H new ATOM 0 HA ILE A 428 -0.174 3.050 4.175 1.00 0.00 H new ATOM 0 HB ILE A 428 -1.983 1.372 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.506 0.210 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 428 -0.315 1.002 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 428 -0.104 0.748 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -0.580 2.449 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 428 0.880 2.043 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 428 -1.066 -1.345 4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 428 -2.413 -0.227 4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -1.579 -1.032 2.870 1.00 0.00 H new ATOM 120 N TYR A 429 0.183 4.934 2.706 1.00 0.00 N ATOM 121 CA TYR A 429 0.435 6.091 1.865 1.00 0.00 C ATOM 122 C TYR A 429 1.676 5.879 0.996 1.00 0.00 C ATOM 123 O TYR A 429 2.796 5.851 1.504 1.00 0.00 O ATOM 124 CB TYR A 429 0.689 7.259 2.820 1.00 0.00 C ATOM 125 CG TYR A 429 -0.538 7.677 3.632 1.00 0.00 C ATOM 126 CD1 TYR A 429 -1.771 7.123 3.354 1.00 0.00 C ATOM 127 CD2 TYR A 429 -0.412 8.608 4.643 1.00 0.00 C ATOM 128 CE1 TYR A 429 -2.926 7.516 4.119 1.00 0.00 C ATOM 129 CE2 TYR A 429 -1.567 9.001 5.408 1.00 0.00 C ATOM 130 CZ TYR A 429 -2.767 8.436 5.108 1.00 0.00 C ATOM 131 OH TYR A 429 -3.858 8.808 5.831 1.00 0.00 O ATOM 0 H TYR A 429 0.905 4.748 3.402 1.00 0.00 H new ATOM 0 HA TYR A 429 -0.408 6.271 1.198 1.00 0.00 H new ATOM 0 HB2 TYR A 429 1.490 6.986 3.506 1.00 0.00 H new ATOM 0 HB3 TYR A 429 1.040 8.116 2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 429 -1.870 6.395 2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 429 0.553 9.042 4.860 1.00 0.00 H new ATOM 0 HE1 TYR A 429 -3.897 7.090 3.912 1.00 0.00 H new ATOM 0 HE2 TYR A 429 -1.482 9.728 6.202 1.00 0.00 H new ATOM 0 HH TYR A 429 -3.595 9.471 6.503 1.00 0.00 H new ATOM 141 N TYR A 430 1.436 5.734 -0.299 1.00 0.00 N ATOM 142 CA TYR A 430 2.520 5.524 -1.242 1.00 0.00 C ATOM 143 C TYR A 430 2.785 6.788 -2.063 1.00 0.00 C ATOM 144 O TYR A 430 1.849 7.464 -2.488 1.00 0.00 O ATOM 145 CB TYR A 430 2.053 4.410 -2.181 1.00 0.00 C ATOM 146 CG TYR A 430 2.804 4.362 -3.513 1.00 0.00 C ATOM 147 CD1 TYR A 430 4.048 3.768 -3.582 1.00 0.00 C ATOM 148 CD2 TYR A 430 2.238 4.912 -4.644 1.00 0.00 C ATOM 149 CE1 TYR A 430 4.756 3.723 -4.836 1.00 0.00 C ATOM 150 CE2 TYR A 430 2.945 4.868 -5.898 1.00 0.00 C ATOM 151 CZ TYR A 430 4.169 4.275 -5.932 1.00 0.00 C ATOM 152 OH TYR A 430 4.837 4.233 -7.116 1.00 0.00 O ATOM 0 H TYR A 430 0.506 5.758 -0.717 1.00 0.00 H new ATOM 0 HA TYR A 430 3.441 5.270 -0.717 1.00 0.00 H new ATOM 0 HB2 TYR A 430 2.169 3.451 -1.676 1.00 0.00 H new ATOM 0 HB3 TYR A 430 0.989 4.539 -2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 430 4.491 3.337 -2.696 1.00 0.00 H new ATOM 0 HD2 TYR A 430 1.264 5.376 -4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 430 5.730 3.262 -4.904 1.00 0.00 H new ATOM 0 HE2 TYR A 430 2.513 5.296 -6.791 1.00 0.00 H new ATOM 0 HH TYR A 430 5.381 3.419 -7.156 1.00 0.00 H new ATOM 162 N LYS A 431 4.064 7.069 -2.262 1.00 0.00 N ATOM 163 CA LYS A 431 4.464 8.240 -3.024 1.00 0.00 C ATOM 164 C LYS A 431 3.991 8.087 -4.471 1.00 0.00 C ATOM 165 O LYS A 431 4.049 6.995 -5.034 1.00 0.00 O ATOM 166 CB LYS A 431 5.970 8.477 -2.890 1.00 0.00 C ATOM 167 CG LYS A 431 6.407 9.695 -3.707 1.00 0.00 C ATOM 168 CD LYS A 431 7.062 9.267 -5.022 1.00 0.00 C ATOM 169 CE LYS A 431 7.227 10.460 -5.966 1.00 0.00 C ATOM 170 NZ LYS A 431 8.514 11.146 -5.714 1.00 0.00 N ATOM 0 H LYS A 431 4.837 6.506 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 431 3.987 9.136 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.227 8.627 -1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.512 7.594 -3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 431 5.543 10.326 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 431 7.108 10.295 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 431 8.036 8.822 -4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 431 6.455 8.500 -5.502 1.00 0.00 H new ATOM 0 HE2 LYS A 431 7.185 10.121 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 431 6.402 11.159 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 8.610 11.953 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 8.539 11.487 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 9.298 10.481 -5.870 1.00 0.00 H new ATOM 183 N LYS A 432 3.534 9.197 -5.030 1.00 0.00 N ATOM 184 CA LYS A 432 3.051 9.201 -6.401 1.00 0.00 C ATOM 185 C LYS A 432 4.243 9.129 -7.357 1.00 0.00 C ATOM 186 O LYS A 432 5.006 10.086 -7.477 1.00 0.00 O ATOM 187 CB LYS A 432 2.139 10.405 -6.645 1.00 0.00 C ATOM 188 CG LYS A 432 1.135 10.115 -7.762 1.00 0.00 C ATOM 189 CD LYS A 432 -0.137 10.946 -7.587 1.00 0.00 C ATOM 190 CE LYS A 432 -1.161 10.206 -6.723 1.00 0.00 C ATOM 191 NZ LYS A 432 -2.395 9.942 -7.496 1.00 0.00 N ATOM 0 H LYS A 432 3.488 10.100 -4.559 1.00 0.00 H new ATOM 0 HA LYS A 432 2.436 8.321 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 432 1.606 10.654 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 432 2.741 11.274 -6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 432 1.588 10.336 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 432 0.883 9.054 -7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 432 0.110 11.902 -7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 432 -0.570 11.165 -8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 432 -0.737 9.266 -6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 432 -1.398 10.800 -5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 432 -3.143 9.611 -6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 432 -2.704 10.817 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 432 -2.206 9.212 -8.212 1.00 0.00 H new ATOM 204 N GLY A 433 4.366 7.984 -8.013 1.00 0.00 N ATOM 205 CA GLY A 433 5.453 7.775 -8.955 1.00 0.00 C ATOM 206 C GLY A 433 4.919 7.331 -10.318 1.00 0.00 C ATOM 207 O GLY A 433 5.683 6.887 -11.174 1.00 0.00 O ATOM 0 H GLY A 433 3.731 7.192 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 433 6.024 8.696 -9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 433 6.137 7.021 -8.565 1.00 0.00 H new ATOM 211 N PHE A 434 3.611 7.468 -10.479 1.00 0.00 N ATOM 212 CA PHE A 434 2.965 7.086 -11.723 1.00 0.00 C ATOM 213 C PHE A 434 1.768 7.991 -12.021 1.00 0.00 C ATOM 214 O PHE A 434 1.713 8.629 -13.071 1.00 0.00 O ATOM 215 CB PHE A 434 2.471 5.648 -11.549 1.00 0.00 C ATOM 216 CG PHE A 434 3.479 4.586 -11.993 1.00 0.00 C ATOM 217 CD1 PHE A 434 4.406 4.118 -11.114 1.00 0.00 C ATOM 218 CD2 PHE A 434 3.448 4.109 -13.266 1.00 0.00 C ATOM 219 CE1 PHE A 434 5.341 3.132 -11.526 1.00 0.00 C ATOM 220 CE2 PHE A 434 4.383 3.123 -13.678 1.00 0.00 C ATOM 221 CZ PHE A 434 5.310 2.656 -12.799 1.00 0.00 C ATOM 0 H PHE A 434 2.981 7.839 -9.768 1.00 0.00 H new ATOM 0 HA PHE A 434 3.670 7.177 -12.550 1.00 0.00 H new ATOM 0 HB2 PHE A 434 2.224 5.484 -10.500 1.00 0.00 H new ATOM 0 HB3 PHE A 434 1.550 5.520 -12.117 1.00 0.00 H new ATOM 0 HD1 PHE A 434 4.431 4.496 -10.103 1.00 0.00 H new ATOM 0 HD2 PHE A 434 2.712 4.480 -13.964 1.00 0.00 H new ATOM 0 HE1 PHE A 434 6.077 2.760 -10.828 1.00 0.00 H new ATOM 0 HE2 PHE A 434 4.358 2.744 -14.689 1.00 0.00 H new ATOM 0 HZ PHE A 434 6.022 1.907 -13.113 1.00 0.00 H new ATOM 231 N ASN A 435 0.839 8.019 -11.077 1.00 0.00 N ATOM 232 CA ASN A 435 -0.354 8.835 -11.224 1.00 0.00 C ATOM 233 C ASN A 435 -1.548 8.102 -10.610 1.00 0.00 C ATOM 234 O ASN A 435 -2.192 8.614 -9.696 1.00 0.00 O ATOM 235 CB ASN A 435 -0.665 9.093 -12.700 1.00 0.00 C ATOM 236 CG ASN A 435 -2.133 9.483 -12.890 1.00 0.00 C ATOM 237 OD1 ASN A 435 -2.789 9.085 -13.838 1.00 0.00 O ATOM 238 ND2 ASN A 435 -2.609 10.281 -11.939 1.00 0.00 N ATOM 0 H ASN A 435 0.888 7.489 -10.207 1.00 0.00 H new ATOM 0 HA ASN A 435 -0.177 9.785 -10.721 1.00 0.00 H new ATOM 0 HB2 ASN A 435 -0.022 9.888 -13.078 1.00 0.00 H new ATOM 0 HB3 ASN A 435 -0.444 8.200 -13.284 1.00 0.00 H new ATOM 0 HD21 ASN A 435 -3.578 10.597 -11.976 1.00 0.00 H new ATOM 0 HD22 ASN A 435 -2.005 10.577 -11.172 1.00 0.00 H new ATOM 245 N SER A 436 -1.807 6.914 -11.137 1.00 0.00 N ATOM 246 CA SER A 436 -2.912 6.105 -10.652 1.00 0.00 C ATOM 247 C SER A 436 -2.452 4.661 -10.444 1.00 0.00 C ATOM 248 O SER A 436 -2.984 3.741 -11.064 1.00 0.00 O ATOM 249 CB SER A 436 -4.095 6.151 -11.622 1.00 0.00 C ATOM 250 OG SER A 436 -5.340 6.270 -10.940 1.00 0.00 O ATOM 0 H SER A 436 -1.270 6.492 -11.895 1.00 0.00 H new ATOM 0 HA SER A 436 -3.243 6.515 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 436 -3.973 6.993 -12.303 1.00 0.00 H new ATOM 0 HB3 SER A 436 -4.100 5.247 -12.231 1.00 0.00 H new ATOM 0 HG SER A 436 -6.070 6.298 -11.594 1.00 0.00 H new ATOM 256 N PRO A 437 -1.442 4.503 -9.547 1.00 0.00 N ATOM 257 CA PRO A 437 -0.904 3.186 -9.250 1.00 0.00 C ATOM 258 C PRO A 437 -1.864 2.390 -8.363 1.00 0.00 C ATOM 259 O PRO A 437 -2.618 2.968 -7.581 1.00 0.00 O ATOM 260 CB PRO A 437 0.437 3.450 -8.586 1.00 0.00 C ATOM 261 CG PRO A 437 0.393 4.895 -8.117 1.00 0.00 C ATOM 262 CD PRO A 437 -0.788 5.570 -8.795 1.00 0.00 C ATOM 0 HA PRO A 437 -0.778 2.572 -10.141 1.00 0.00 H new ATOM 0 HB2 PRO A 437 0.598 2.772 -7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 437 1.257 3.291 -9.286 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.288 4.941 -7.033 1.00 0.00 H new ATOM 0 HG3 PRO A 437 1.322 5.407 -8.370 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -1.465 6.012 -8.064 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -0.460 6.375 -9.453 1.00 0.00 H new ATOM 270 N TYR A 438 -1.804 1.075 -8.513 1.00 0.00 N ATOM 271 CA TYR A 438 -2.658 0.193 -7.736 1.00 0.00 C ATOM 272 C TYR A 438 -1.881 -0.450 -6.586 1.00 0.00 C ATOM 273 O TYR A 438 -0.666 -0.621 -6.672 1.00 0.00 O ATOM 274 CB TYR A 438 -3.120 -0.903 -8.699 1.00 0.00 C ATOM 275 CG TYR A 438 -3.901 -0.382 -9.907 1.00 0.00 C ATOM 276 CD1 TYR A 438 -3.246 0.307 -10.907 1.00 0.00 C ATOM 277 CD2 TYR A 438 -5.261 -0.600 -9.996 1.00 0.00 C ATOM 278 CE1 TYR A 438 -3.981 0.798 -12.044 1.00 0.00 C ATOM 279 CE2 TYR A 438 -5.996 -0.110 -11.132 1.00 0.00 C ATOM 280 CZ TYR A 438 -5.320 0.565 -12.100 1.00 0.00 C ATOM 281 OH TYR A 438 -6.015 1.029 -13.174 1.00 0.00 O ATOM 0 H TYR A 438 -1.177 0.599 -9.161 1.00 0.00 H new ATOM 0 HA TYR A 438 -3.490 0.748 -7.304 1.00 0.00 H new ATOM 0 HB2 TYR A 438 -2.248 -1.453 -9.053 1.00 0.00 H new ATOM 0 HB3 TYR A 438 -3.744 -1.612 -8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 438 -2.182 0.478 -10.837 1.00 0.00 H new ATOM 0 HD2 TYR A 438 -5.774 -1.139 -9.213 1.00 0.00 H new ATOM 0 HE1 TYR A 438 -3.481 1.339 -12.834 1.00 0.00 H new ATOM 0 HE2 TYR A 438 -7.060 -0.275 -11.214 1.00 0.00 H new ATOM 0 HH TYR A 438 -6.960 0.789 -13.080 1.00 0.00 H new ATOM 291 N ILE A 439 -2.614 -0.788 -5.535 1.00 0.00 N ATOM 292 CA ILE A 439 -2.008 -1.408 -4.369 1.00 0.00 C ATOM 293 C ILE A 439 -2.831 -2.632 -3.962 1.00 0.00 C ATOM 294 O ILE A 439 -4.016 -2.514 -3.653 1.00 0.00 O ATOM 295 CB ILE A 439 -1.836 -0.382 -3.246 1.00 0.00 C ATOM 296 CG1 ILE A 439 -0.760 -0.831 -2.255 1.00 0.00 C ATOM 297 CG2 ILE A 439 -3.170 -0.097 -2.554 1.00 0.00 C ATOM 298 CD1 ILE A 439 -0.703 0.106 -1.046 1.00 0.00 C ATOM 0 H ILE A 439 -3.622 -0.644 -5.467 1.00 0.00 H new ATOM 0 HA ILE A 439 -1.004 -1.762 -4.604 1.00 0.00 H new ATOM 0 HB ILE A 439 -1.497 0.555 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -0.969 -1.848 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 439 0.211 -0.851 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -3.019 0.635 -1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -3.880 0.297 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -3.563 -1.020 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 439 0.070 -0.235 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -0.470 1.117 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -1.668 0.104 -0.539 1.00 0.00 H new ATOM 310 N HIS A 440 -2.170 -3.780 -3.975 1.00 0.00 N ATOM 311 CA HIS A 440 -2.825 -5.025 -3.612 1.00 0.00 C ATOM 312 C HIS A 440 -2.626 -5.293 -2.119 1.00 0.00 C ATOM 313 O HIS A 440 -1.496 -5.442 -1.656 1.00 0.00 O ATOM 314 CB HIS A 440 -2.332 -6.176 -4.492 1.00 0.00 C ATOM 315 CG HIS A 440 -3.301 -7.329 -4.595 1.00 0.00 C ATOM 316 ND1 HIS A 440 -4.647 -7.206 -4.299 1.00 0.00 N ATOM 317 CD2 HIS A 440 -3.105 -8.627 -4.965 1.00 0.00 C ATOM 318 CE1 HIS A 440 -5.226 -8.383 -4.486 1.00 0.00 C ATOM 319 NE2 HIS A 440 -4.268 -9.263 -4.897 1.00 0.00 N ATOM 0 H HIS A 440 -1.187 -3.874 -4.231 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.897 -4.942 -3.791 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.130 -5.794 -5.493 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -1.386 -6.544 -4.095 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.163 -9.063 -5.263 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -6.272 -8.606 -4.339 1.00 0.00 H new ATOM 0 HE2 HIS A 440 -4.420 -10.248 -5.116 1.00 0.00 H new ATOM 327 N TYR A 441 -3.742 -5.347 -1.406 1.00 0.00 N ATOM 328 CA TYR A 441 -3.705 -5.594 0.025 1.00 0.00 C ATOM 329 C TYR A 441 -4.640 -6.743 0.408 1.00 0.00 C ATOM 330 O TYR A 441 -5.632 -6.995 -0.275 1.00 0.00 O ATOM 331 CB TYR A 441 -4.200 -4.307 0.688 1.00 0.00 C ATOM 332 CG TYR A 441 -5.638 -3.933 0.324 1.00 0.00 C ATOM 333 CD1 TYR A 441 -6.686 -4.718 0.758 1.00 0.00 C ATOM 334 CD2 TYR A 441 -5.886 -2.809 -0.438 1.00 0.00 C ATOM 335 CE1 TYR A 441 -8.040 -4.366 0.415 1.00 0.00 C ATOM 336 CE2 TYR A 441 -7.240 -2.457 -0.781 1.00 0.00 C ATOM 337 CZ TYR A 441 -8.250 -3.253 -0.337 1.00 0.00 C ATOM 338 OH TYR A 441 -9.528 -2.920 -0.661 1.00 0.00 O ATOM 0 H TYR A 441 -4.678 -5.224 -1.793 1.00 0.00 H new ATOM 0 HA TYR A 441 -2.698 -5.867 0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -4.127 -4.416 1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -3.540 -3.487 0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 441 -6.491 -5.597 1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 441 -5.065 -2.194 -0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 441 -8.869 -4.972 0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 441 -7.449 -1.581 -1.377 1.00 0.00 H new ATOM 0 HH TYR A 441 -9.526 -2.102 -1.200 1.00 0.00 H new ATOM 348 N ARG A 442 -4.291 -7.409 1.498 1.00 0.00 N ATOM 349 CA ARG A 442 -5.086 -8.526 1.980 1.00 0.00 C ATOM 350 C ARG A 442 -4.941 -8.666 3.496 1.00 0.00 C ATOM 351 O ARG A 442 -3.830 -8.795 4.008 1.00 0.00 O ATOM 352 CB ARG A 442 -4.661 -9.834 1.311 1.00 0.00 C ATOM 353 CG ARG A 442 -5.043 -11.040 2.171 1.00 0.00 C ATOM 354 CD ARG A 442 -4.561 -12.344 1.533 1.00 0.00 C ATOM 355 NE ARG A 442 -3.839 -13.161 2.534 1.00 0.00 N ATOM 356 CZ ARG A 442 -3.387 -14.413 2.307 1.00 0.00 C ATOM 357 NH1 ARG A 442 -3.580 -15.003 1.108 1.00 0.00 N ATOM 358 NH2 ARG A 442 -2.755 -15.051 3.274 1.00 0.00 N ATOM 0 H ARG A 442 -3.468 -7.197 2.062 1.00 0.00 H new ATOM 0 HA ARG A 442 -6.127 -8.324 1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.134 -9.916 0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -3.584 -9.828 1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -4.608 -10.935 3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.125 -11.072 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -5.411 -12.902 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -3.906 -12.125 0.689 1.00 0.00 H new ATOM 0 HE ARG A 442 -3.672 -12.752 3.454 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -4.070 -14.503 0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -3.236 -15.949 0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -2.614 -14.598 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -2.407 -15.997 3.119 1.00 0.00 H new ATOM 371 N PRO A 443 -6.110 -8.636 4.191 1.00 0.00 N ATOM 372 CA PRO A 443 -6.124 -8.758 5.639 1.00 0.00 C ATOM 373 C PRO A 443 -5.866 -10.203 6.069 1.00 0.00 C ATOM 374 O PRO A 443 -6.443 -11.134 5.510 1.00 0.00 O ATOM 375 CB PRO A 443 -7.491 -8.246 6.064 1.00 0.00 C ATOM 376 CG PRO A 443 -8.360 -8.294 4.817 1.00 0.00 C ATOM 377 CD PRO A 443 -7.445 -8.484 3.618 1.00 0.00 C ATOM 0 HA PRO A 443 -5.332 -8.182 6.118 1.00 0.00 H new ATOM 0 HB2 PRO A 443 -7.911 -8.865 6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 443 -7.424 -7.231 6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 443 -9.077 -9.112 4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 443 -8.935 -7.373 4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 443 -7.729 -9.362 3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 443 -7.492 -7.628 2.945 1.00 0.00 H new ATOM 385 N ALA A 444 -4.998 -10.345 7.060 1.00 0.00 N ATOM 386 CA ALA A 444 -4.656 -11.661 7.572 1.00 0.00 C ATOM 387 C ALA A 444 -5.938 -12.407 7.947 1.00 0.00 C ATOM 388 O ALA A 444 -6.547 -12.123 8.977 1.00 0.00 O ATOM 389 CB ALA A 444 -3.699 -11.515 8.757 1.00 0.00 C ATOM 0 H ALA A 444 -4.521 -9.570 7.522 1.00 0.00 H new ATOM 0 HA ALA A 444 -4.144 -12.248 6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 444 -3.442 -12.502 9.141 1.00 0.00 H new ATOM 0 HB2 ALA A 444 -2.792 -11.005 8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 444 -4.180 -10.933 9.543 1.00 0.00 H new ATOM 395 N GLY A 445 -6.310 -13.347 7.090 1.00 0.00 N ATOM 396 CA GLY A 445 -7.509 -14.135 7.318 1.00 0.00 C ATOM 397 C GLY A 445 -8.671 -13.625 6.463 1.00 0.00 C ATOM 398 O GLY A 445 -9.812 -14.047 6.645 1.00 0.00 O ATOM 0 H GLY A 445 -5.802 -13.580 6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.311 -15.181 7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -7.782 -14.092 8.372 1.00 0.00 H new ATOM 402 N GLY A 446 -8.341 -12.725 5.549 1.00 0.00 N ATOM 403 CA GLY A 446 -9.343 -12.153 4.666 1.00 0.00 C ATOM 404 C GLY A 446 -9.126 -12.610 3.222 1.00 0.00 C ATOM 405 O GLY A 446 -8.584 -13.688 2.983 1.00 0.00 O ATOM 0 H GLY A 446 -7.394 -12.378 5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -10.338 -12.449 4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -9.300 -11.065 4.717 1.00 0.00 H new ATOM 409 N SER A 447 -9.561 -11.767 2.297 1.00 0.00 N ATOM 410 CA SER A 447 -9.421 -12.071 0.883 1.00 0.00 C ATOM 411 C SER A 447 -8.652 -10.950 0.180 1.00 0.00 C ATOM 412 O SER A 447 -8.665 -9.806 0.631 1.00 0.00 O ATOM 413 CB SER A 447 -10.788 -12.270 0.225 1.00 0.00 C ATOM 414 OG SER A 447 -11.815 -12.495 1.186 1.00 0.00 O ATOM 0 H SER A 447 -10.010 -10.874 2.499 1.00 0.00 H new ATOM 0 HA SER A 447 -8.862 -13.002 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 447 -11.035 -11.391 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 447 -10.741 -13.116 -0.460 1.00 0.00 H new ATOM 0 HG SER A 447 -12.672 -12.616 0.727 1.00 0.00 H new ATOM 420 N TRP A 448 -8.000 -11.318 -0.913 1.00 0.00 N ATOM 421 CA TRP A 448 -7.226 -10.358 -1.682 1.00 0.00 C ATOM 422 C TRP A 448 -8.204 -9.382 -2.340 1.00 0.00 C ATOM 423 O TRP A 448 -9.382 -9.695 -2.505 1.00 0.00 O ATOM 424 CB TRP A 448 -6.319 -11.067 -2.690 1.00 0.00 C ATOM 425 CG TRP A 448 -4.951 -11.458 -2.128 1.00 0.00 C ATOM 426 CD1 TRP A 448 -4.477 -12.689 -1.893 1.00 0.00 C ATOM 427 CD2 TRP A 448 -3.892 -10.558 -1.738 1.00 0.00 C ATOM 428 NE1 TRP A 448 -3.196 -12.649 -1.382 1.00 0.00 N ATOM 429 CE2 TRP A 448 -2.829 -11.312 -1.285 1.00 0.00 C ATOM 430 CE3 TRP A 448 -3.835 -9.153 -1.767 1.00 0.00 C ATOM 431 CZ2 TRP A 448 -1.631 -10.750 -0.827 1.00 0.00 C ATOM 432 CZ3 TRP A 448 -2.632 -8.607 -1.305 1.00 0.00 C ATOM 433 CH2 TRP A 448 -1.552 -9.352 -0.846 1.00 0.00 C ATOM 0 H TRP A 448 -7.992 -12.268 -1.285 1.00 0.00 H new ATOM 0 HA TRP A 448 -6.555 -9.795 -1.034 1.00 0.00 H new ATOM 0 HB2 TRP A 448 -6.823 -11.964 -3.049 1.00 0.00 H new ATOM 0 HB3 TRP A 448 -6.174 -10.417 -3.553 1.00 0.00 H new ATOM 0 HD1 TRP A 448 -5.029 -13.599 -2.080 1.00 0.00 H new ATOM 0 HE1 TRP A 448 -2.624 -13.453 -1.123 1.00 0.00 H new ATOM 0 HE3 TRP A 448 -4.655 -8.544 -2.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 -0.812 -11.362 -0.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 -2.536 -7.531 -1.305 1.00 0.00 H new ATOM 0 HH2 TRP A 448 -0.656 -8.855 -0.505 1.00 0.00 H new ATOM 444 N THR A 449 -7.678 -8.220 -2.698 1.00 0.00 N ATOM 445 CA THR A 449 -8.490 -7.196 -3.334 1.00 0.00 C ATOM 446 C THR A 449 -8.667 -7.504 -4.822 1.00 0.00 C ATOM 447 O THR A 449 -8.232 -8.551 -5.299 1.00 0.00 O ATOM 448 CB THR A 449 -7.833 -5.840 -3.069 1.00 0.00 C ATOM 449 OG1 THR A 449 -7.105 -6.037 -1.860 1.00 0.00 O ATOM 450 CG2 THR A 449 -8.853 -4.755 -2.717 1.00 0.00 C ATOM 0 H THR A 449 -6.700 -7.965 -2.560 1.00 0.00 H new ATOM 0 HA THR A 449 -9.497 -7.173 -2.916 1.00 0.00 H new ATOM 0 HB THR A 449 -7.265 -5.534 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 449 -7.147 -5.222 -1.317 1.00 0.00 H new ATOM 0 HG21 THR A 449 -8.335 -3.813 -2.538 1.00 0.00 H new ATOM 0 HG22 THR A 449 -9.554 -4.633 -3.543 1.00 0.00 H new ATOM 0 HG23 THR A 449 -9.398 -5.045 -1.819 1.00 0.00 H new ATOM 458 N ALA A 450 -9.307 -6.573 -5.515 1.00 0.00 N ATOM 459 CA ALA A 450 -9.548 -6.733 -6.939 1.00 0.00 C ATOM 460 C ALA A 450 -8.298 -6.311 -7.713 1.00 0.00 C ATOM 461 O ALA A 450 -8.108 -5.129 -7.996 1.00 0.00 O ATOM 462 CB ALA A 450 -10.784 -5.925 -7.341 1.00 0.00 C ATOM 0 H ALA A 450 -9.666 -5.705 -5.117 1.00 0.00 H new ATOM 0 HA ALA A 450 -9.748 -7.777 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 450 -10.965 -6.045 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 450 -11.650 -6.283 -6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 450 -10.619 -4.871 -7.117 1.00 0.00 H new ATOM 468 N ALA A 451 -7.478 -7.301 -8.034 1.00 0.00 N ATOM 469 CA ALA A 451 -6.251 -7.047 -8.770 1.00 0.00 C ATOM 470 C ALA A 451 -6.584 -6.317 -10.073 1.00 0.00 C ATOM 471 O ALA A 451 -7.560 -6.650 -10.743 1.00 0.00 O ATOM 472 CB ALA A 451 -5.519 -8.368 -9.014 1.00 0.00 C ATOM 0 H ALA A 451 -7.639 -8.280 -7.798 1.00 0.00 H new ATOM 0 HA ALA A 451 -5.584 -6.406 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 451 -4.599 -8.177 -9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 451 -5.279 -8.833 -8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 451 -6.157 -9.036 -9.592 1.00 0.00 H new ATOM 478 N PRO A 452 -5.733 -5.308 -10.400 1.00 0.00 N ATOM 479 CA PRO A 452 -4.601 -4.978 -9.550 1.00 0.00 C ATOM 480 C PRO A 452 -5.058 -4.232 -8.295 1.00 0.00 C ATOM 481 O PRO A 452 -5.643 -3.154 -8.388 1.00 0.00 O ATOM 482 CB PRO A 452 -3.677 -4.151 -10.430 1.00 0.00 C ATOM 483 CG PRO A 452 -4.532 -3.658 -11.586 1.00 0.00 C ATOM 484 CD PRO A 452 -5.825 -4.458 -11.584 1.00 0.00 C ATOM 0 HA PRO A 452 -4.085 -5.861 -9.173 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -3.253 -3.315 -9.874 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -2.841 -4.751 -10.791 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -4.741 -2.594 -11.479 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -4.006 -3.786 -12.532 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -6.695 -3.804 -11.535 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -5.924 -5.053 -12.492 1.00 0.00 H new ATOM 492 N GLY A 453 -4.772 -4.835 -7.150 1.00 0.00 N ATOM 493 CA GLY A 453 -5.146 -4.241 -5.878 1.00 0.00 C ATOM 494 C GLY A 453 -6.189 -3.139 -6.073 1.00 0.00 C ATOM 495 O GLY A 453 -7.186 -3.339 -6.766 1.00 0.00 O ATOM 0 H GLY A 453 -4.286 -5.729 -7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -5.544 -5.010 -5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -4.262 -3.828 -5.391 1.00 0.00 H new ATOM 499 N VAL A 454 -5.925 -2.001 -5.449 1.00 0.00 N ATOM 500 CA VAL A 454 -6.828 -0.867 -5.545 1.00 0.00 C ATOM 501 C VAL A 454 -6.024 0.396 -5.857 1.00 0.00 C ATOM 502 O VAL A 454 -4.925 0.581 -5.336 1.00 0.00 O ATOM 503 CB VAL A 454 -7.656 -0.748 -4.263 1.00 0.00 C ATOM 504 CG1 VAL A 454 -6.850 -0.071 -3.152 1.00 0.00 C ATOM 505 CG2 VAL A 454 -8.965 -0.001 -4.524 1.00 0.00 C ATOM 0 H VAL A 454 -5.098 -1.840 -4.874 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.536 -1.011 -6.361 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.906 -1.755 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.461 0.002 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -5.958 -0.660 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.556 0.929 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -9.534 0.070 -3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.745 1.001 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.550 -0.541 -5.269 1.00 0.00 H new ATOM 515 N LYS A 455 -6.602 1.233 -6.705 1.00 0.00 N ATOM 516 CA LYS A 455 -5.953 2.474 -7.093 1.00 0.00 C ATOM 517 C LYS A 455 -5.809 3.375 -5.865 1.00 0.00 C ATOM 518 O LYS A 455 -6.805 3.838 -5.311 1.00 0.00 O ATOM 519 CB LYS A 455 -6.702 3.131 -8.254 1.00 0.00 C ATOM 520 CG LYS A 455 -6.139 4.522 -8.553 1.00 0.00 C ATOM 521 CD LYS A 455 -7.262 5.514 -8.862 1.00 0.00 C ATOM 522 CE LYS A 455 -8.005 5.916 -7.586 1.00 0.00 C ATOM 523 NZ LYS A 455 -9.235 5.110 -7.426 1.00 0.00 N ATOM 0 H LYS A 455 -7.514 1.076 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 455 -4.947 2.278 -7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -6.624 2.505 -9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -7.762 3.208 -8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -5.562 4.876 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -5.455 4.467 -9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -6.847 6.401 -9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -7.961 5.068 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -7.356 5.776 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -8.260 6.975 -7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -10.004 5.716 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -9.506 4.704 -8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -9.061 4.343 -6.746 1.00 0.00 H new ATOM 536 N MET A 456 -4.562 3.597 -5.477 1.00 0.00 N ATOM 537 CA MET A 456 -4.275 4.434 -4.324 1.00 0.00 C ATOM 538 C MET A 456 -4.897 5.823 -4.487 1.00 0.00 C ATOM 539 O MET A 456 -4.589 6.537 -5.439 1.00 0.00 O ATOM 540 CB MET A 456 -2.761 4.570 -4.156 1.00 0.00 C ATOM 541 CG MET A 456 -2.111 3.205 -3.922 1.00 0.00 C ATOM 542 SD MET A 456 -0.883 2.890 -5.179 1.00 0.00 S ATOM 543 CE MET A 456 0.372 2.089 -4.193 1.00 0.00 C ATOM 0 H MET A 456 -3.739 3.212 -5.940 1.00 0.00 H new ATOM 0 HA MET A 456 -4.707 3.964 -3.441 1.00 0.00 H new ATOM 0 HB2 MET A 456 -2.333 5.033 -5.045 1.00 0.00 H new ATOM 0 HB3 MET A 456 -2.542 5.230 -3.316 1.00 0.00 H new ATOM 0 HG2 MET A 456 -1.649 3.178 -2.935 1.00 0.00 H new ATOM 0 HG3 MET A 456 -2.871 2.423 -3.940 1.00 0.00 H new ATOM 0 HE1 MET A 456 1.358 2.337 -4.587 1.00 0.00 H new ATOM 0 HE2 MET A 456 0.297 2.432 -3.161 1.00 0.00 H new ATOM 0 HE3 MET A 456 0.228 1.009 -4.228 1.00 0.00 H new ATOM 553 N GLN A 457 -5.762 6.163 -3.542 1.00 0.00 N ATOM 554 CA GLN A 457 -6.430 7.453 -3.568 1.00 0.00 C ATOM 555 C GLN A 457 -5.407 8.577 -3.743 1.00 0.00 C ATOM 556 O GLN A 457 -4.203 8.328 -3.761 1.00 0.00 O ATOM 557 CB GLN A 457 -7.266 7.663 -2.305 1.00 0.00 C ATOM 558 CG GLN A 457 -8.112 6.427 -1.995 1.00 0.00 C ATOM 559 CD GLN A 457 -9.598 6.784 -1.924 1.00 0.00 C ATOM 560 OE1 GLN A 457 -10.116 7.196 -0.899 1.00 0.00 O ATOM 561 NE2 GLN A 457 -10.254 6.602 -3.067 1.00 0.00 N ATOM 0 H GLN A 457 -6.015 5.567 -2.754 1.00 0.00 H new ATOM 0 HA GLN A 457 -7.109 7.471 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 457 -6.610 7.879 -1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 457 -7.915 8.529 -2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 457 -7.952 5.670 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 457 -7.793 5.992 -1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 457 -9.760 6.254 -3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 457 -11.251 6.810 -3.122 1.00 0.00 H new ATOM 570 N ASP A 458 -5.924 9.791 -3.866 1.00 0.00 N ATOM 571 CA ASP A 458 -5.071 10.954 -4.039 1.00 0.00 C ATOM 572 C ASP A 458 -4.601 11.445 -2.668 1.00 0.00 C ATOM 573 O ASP A 458 -5.401 11.566 -1.741 1.00 0.00 O ATOM 574 CB ASP A 458 -5.829 12.098 -4.716 1.00 0.00 C ATOM 575 CG ASP A 458 -7.099 11.680 -5.460 1.00 0.00 C ATOM 576 OD1 ASP A 458 -7.045 11.238 -6.618 1.00 0.00 O ATOM 577 OD2 ASP A 458 -8.194 11.827 -4.795 1.00 0.00 O ATOM 0 H ASP A 458 -6.923 9.994 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 458 -4.226 10.662 -4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 458 -6.095 12.836 -3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -5.159 12.591 -5.420 1.00 0.00 H new ATOM 583 N ALA A 459 -3.307 11.713 -2.583 1.00 0.00 N ATOM 584 CA ALA A 459 -2.721 12.187 -1.340 1.00 0.00 C ATOM 585 C ALA A 459 -2.216 13.619 -1.533 1.00 0.00 C ATOM 586 O ALA A 459 -1.164 13.834 -2.134 1.00 0.00 O ATOM 587 CB ALA A 459 -1.610 11.231 -0.902 1.00 0.00 C ATOM 0 H ALA A 459 -2.647 11.611 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 459 -3.467 12.205 -0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -1.171 11.586 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 459 -2.026 10.235 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 459 -0.841 11.189 -1.673 1.00 0.00 H new ATOM 593 N GLU A 460 -2.988 14.560 -1.012 1.00 0.00 N ATOM 594 CA GLU A 460 -2.632 15.965 -1.120 1.00 0.00 C ATOM 595 C GLU A 460 -1.273 16.220 -0.466 1.00 0.00 C ATOM 596 O GLU A 460 -0.664 17.267 -0.679 1.00 0.00 O ATOM 597 CB GLU A 460 -3.714 16.854 -0.502 1.00 0.00 C ATOM 598 CG GLU A 460 -3.795 16.647 1.011 1.00 0.00 C ATOM 599 CD GLU A 460 -4.881 17.531 1.628 1.00 0.00 C ATOM 600 OE1 GLU A 460 -5.804 17.963 0.922 1.00 0.00 O ATOM 601 OE2 GLU A 460 -4.742 17.765 2.889 1.00 0.00 O ATOM 0 H GLU A 460 -3.859 14.378 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 460 -2.558 16.221 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.498 17.900 -0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.679 16.628 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -4.007 15.600 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.831 16.878 1.465 1.00 0.00 H new ATOM 609 N ILE A 461 -0.838 15.245 0.318 1.00 0.00 N ATOM 610 CA ILE A 461 0.438 15.351 1.006 1.00 0.00 C ATOM 611 C ILE A 461 1.387 16.221 0.179 1.00 0.00 C ATOM 612 O ILE A 461 2.035 17.120 0.714 1.00 0.00 O ATOM 613 CB ILE A 461 0.995 13.960 1.319 1.00 0.00 C ATOM 614 CG1 ILE A 461 0.008 13.153 2.165 1.00 0.00 C ATOM 615 CG2 ILE A 461 2.371 14.057 1.980 1.00 0.00 C ATOM 616 CD1 ILE A 461 -0.806 14.068 3.081 1.00 0.00 C ATOM 0 H ILE A 461 -1.346 14.378 0.492 1.00 0.00 H new ATOM 0 HA ILE A 461 0.311 15.843 1.970 1.00 0.00 H new ATOM 0 HB ILE A 461 1.127 13.424 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 461 -0.664 12.595 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 461 0.551 12.422 2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 461 2.744 13.055 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 461 3.062 14.567 1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 461 2.289 14.618 2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 461 -1.499 13.469 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 461 -0.133 14.606 3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 461 -1.366 14.782 2.477 1.00 0.00 H new ATOM 628 N SER A 462 1.440 15.923 -1.111 1.00 0.00 N ATOM 629 CA SER A 462 2.299 16.667 -2.016 1.00 0.00 C ATOM 630 C SER A 462 2.663 15.799 -3.223 1.00 0.00 C ATOM 631 O SER A 462 3.818 15.771 -3.646 1.00 0.00 O ATOM 632 CB SER A 462 3.567 17.144 -1.304 1.00 0.00 C ATOM 633 OG SER A 462 3.413 18.453 -0.762 1.00 0.00 O ATOM 0 H SER A 462 0.902 15.176 -1.551 1.00 0.00 H new ATOM 0 HA SER A 462 1.755 17.547 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 462 3.818 16.447 -0.504 1.00 0.00 H new ATOM 0 HB3 SER A 462 4.401 17.138 -2.006 1.00 0.00 H new ATOM 0 HG SER A 462 2.895 18.404 0.069 1.00 0.00 H new ATOM 639 N GLY A 463 1.656 15.113 -3.743 1.00 0.00 N ATOM 640 CA GLY A 463 1.856 14.247 -4.893 1.00 0.00 C ATOM 641 C GLY A 463 2.050 12.793 -4.457 1.00 0.00 C ATOM 642 O GLY A 463 2.977 12.124 -4.911 1.00 0.00 O ATOM 0 H GLY A 463 0.700 15.139 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 463 0.997 14.319 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 463 2.727 14.581 -5.457 1.00 0.00 H new ATOM 646 N TYR A 464 1.161 12.347 -3.581 1.00 0.00 N ATOM 647 CA TYR A 464 1.224 10.986 -3.079 1.00 0.00 C ATOM 648 C TYR A 464 -0.133 10.290 -3.210 1.00 0.00 C ATOM 649 O TYR A 464 -1.103 10.895 -3.663 1.00 0.00 O ATOM 650 CB TYR A 464 1.584 11.099 -1.596 1.00 0.00 C ATOM 651 CG TYR A 464 3.085 11.019 -1.312 1.00 0.00 C ATOM 652 CD1 TYR A 464 3.949 11.917 -1.905 1.00 0.00 C ATOM 653 CD2 TYR A 464 3.576 10.047 -0.464 1.00 0.00 C ATOM 654 CE1 TYR A 464 5.362 11.841 -1.638 1.00 0.00 C ATOM 655 CE2 TYR A 464 4.989 9.971 -0.197 1.00 0.00 C ATOM 656 CZ TYR A 464 5.812 10.872 -0.798 1.00 0.00 C ATOM 657 OH TYR A 464 7.147 10.800 -0.546 1.00 0.00 O ATOM 0 H TYR A 464 0.393 12.905 -3.207 1.00 0.00 H new ATOM 0 HA TYR A 464 1.952 10.403 -3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 464 1.202 12.044 -1.211 1.00 0.00 H new ATOM 0 HB3 TYR A 464 1.078 10.304 -1.048 1.00 0.00 H new ATOM 0 HD1 TYR A 464 3.565 12.677 -2.570 1.00 0.00 H new ATOM 0 HD2 TYR A 464 2.900 9.343 -0.001 1.00 0.00 H new ATOM 0 HE1 TYR A 464 6.049 12.538 -2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 464 5.386 9.216 0.465 1.00 0.00 H new ATOM 0 HH TYR A 464 7.324 10.061 0.072 1.00 0.00 H new ATOM 667 N ALA A 465 -0.157 9.029 -2.805 1.00 0.00 N ATOM 668 CA ALA A 465 -1.378 8.244 -2.871 1.00 0.00 C ATOM 669 C ALA A 465 -1.715 7.713 -1.477 1.00 0.00 C ATOM 670 O ALA A 465 -0.819 7.388 -0.699 1.00 0.00 O ATOM 671 CB ALA A 465 -1.209 7.122 -3.897 1.00 0.00 C ATOM 0 H ALA A 465 0.650 8.531 -2.430 1.00 0.00 H new ATOM 0 HA ALA A 465 -2.214 8.862 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -2.125 6.533 -3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -1.001 7.553 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -0.380 6.479 -3.600 1.00 0.00 H new ATOM 677 N LYS A 466 -3.009 7.641 -1.202 1.00 0.00 N ATOM 678 CA LYS A 466 -3.475 7.155 0.085 1.00 0.00 C ATOM 679 C LYS A 466 -4.442 5.990 -0.134 1.00 0.00 C ATOM 680 O LYS A 466 -5.181 5.968 -1.117 1.00 0.00 O ATOM 681 CB LYS A 466 -4.070 8.301 0.907 1.00 0.00 C ATOM 682 CG LYS A 466 -2.991 9.314 1.296 1.00 0.00 C ATOM 683 CD LYS A 466 -3.607 10.680 1.603 1.00 0.00 C ATOM 684 CE LYS A 466 -4.394 10.645 2.915 1.00 0.00 C ATOM 685 NZ LYS A 466 -4.736 12.018 3.351 1.00 0.00 N ATOM 0 H LYS A 466 -3.750 7.911 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.640 6.771 0.672 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.851 8.799 0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.541 7.903 1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.445 8.953 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.269 9.411 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.820 11.432 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -4.266 10.977 0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -5.305 10.061 2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.805 10.148 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.270 11.976 4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -3.863 12.564 3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.316 12.480 2.622 1.00 0.00 H new ATOM 698 N ILE A 467 -4.405 5.049 0.798 1.00 0.00 N ATOM 699 CA ILE A 467 -5.268 3.883 0.719 1.00 0.00 C ATOM 700 C ILE A 467 -5.565 3.377 2.132 1.00 0.00 C ATOM 701 O ILE A 467 -4.650 3.183 2.931 1.00 0.00 O ATOM 702 CB ILE A 467 -4.654 2.823 -0.197 1.00 0.00 C ATOM 703 CG1 ILE A 467 -5.741 2.048 -0.946 1.00 0.00 C ATOM 704 CG2 ILE A 467 -3.724 1.893 0.586 1.00 0.00 C ATOM 705 CD1 ILE A 467 -6.494 2.961 -1.916 1.00 0.00 C ATOM 0 H ILE A 467 -3.791 5.070 1.612 1.00 0.00 H new ATOM 0 HA ILE A 467 -6.224 4.147 0.267 1.00 0.00 H new ATOM 0 HB ILE A 467 -4.046 3.331 -0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -5.291 1.221 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -6.441 1.614 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -3.301 1.149 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -2.919 2.476 1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -4.289 1.391 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -7.261 2.386 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -6.963 3.773 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -5.795 3.374 -2.643 1.00 0.00 H new ATOM 717 N THR A 468 -6.848 3.176 2.397 1.00 0.00 N ATOM 718 CA THR A 468 -7.277 2.697 3.700 1.00 0.00 C ATOM 719 C THR A 468 -7.981 1.345 3.565 1.00 0.00 C ATOM 720 O THR A 468 -8.980 1.229 2.857 1.00 0.00 O ATOM 721 CB THR A 468 -8.152 3.777 4.337 1.00 0.00 C ATOM 722 OG1 THR A 468 -7.578 5.001 3.885 1.00 0.00 O ATOM 723 CG2 THR A 468 -8.000 3.834 5.858 1.00 0.00 C ATOM 0 H THR A 468 -7.604 3.336 1.731 1.00 0.00 H new ATOM 0 HA THR A 468 -6.425 2.521 4.357 1.00 0.00 H new ATOM 0 HB THR A 468 -9.196 3.593 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 468 -8.086 5.755 4.250 1.00 0.00 H new ATOM 0 HG21 THR A 468 -8.643 4.618 6.259 1.00 0.00 H new ATOM 0 HG22 THR A 468 -8.286 2.874 6.288 1.00 0.00 H new ATOM 0 HG23 THR A 468 -6.962 4.051 6.112 1.00 0.00 H new ATOM 731 N VAL A 469 -7.432 0.356 4.256 1.00 0.00 N ATOM 732 CA VAL A 469 -7.995 -0.983 4.222 1.00 0.00 C ATOM 733 C VAL A 469 -8.293 -1.442 5.651 1.00 0.00 C ATOM 734 O VAL A 469 -7.438 -1.345 6.529 1.00 0.00 O ATOM 735 CB VAL A 469 -7.053 -1.928 3.475 1.00 0.00 C ATOM 736 CG1 VAL A 469 -7.613 -3.351 3.446 1.00 0.00 C ATOM 737 CG2 VAL A 469 -6.776 -1.419 2.059 1.00 0.00 C ATOM 0 H VAL A 469 -6.603 0.456 4.842 1.00 0.00 H new ATOM 0 HA VAL A 469 -8.938 -0.987 3.675 1.00 0.00 H new ATOM 0 HB VAL A 469 -6.106 -1.952 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 469 -6.924 -4.002 2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 469 -7.735 -3.715 4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 469 -8.580 -3.351 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 469 -6.104 -2.109 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 469 -7.713 -1.351 1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 469 -6.313 -0.433 2.111 1.00 0.00 H new ATOM 747 N ASP A 470 -9.510 -1.932 5.839 1.00 0.00 N ATOM 748 CA ASP A 470 -9.931 -2.407 7.146 1.00 0.00 C ATOM 749 C ASP A 470 -9.464 -3.851 7.335 1.00 0.00 C ATOM 750 O ASP A 470 -9.437 -4.628 6.382 1.00 0.00 O ATOM 751 CB ASP A 470 -11.456 -2.382 7.276 1.00 0.00 C ATOM 752 CG ASP A 470 -12.008 -3.035 8.544 1.00 0.00 C ATOM 753 OD1 ASP A 470 -12.327 -4.233 8.559 1.00 0.00 O ATOM 754 OD2 ASP A 470 -12.106 -2.250 9.563 1.00 0.00 O ATOM 0 H ASP A 470 -10.217 -2.010 5.108 1.00 0.00 H new ATOM 0 HA ASP A 470 -9.494 -1.752 7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -11.791 -1.345 7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -11.888 -2.884 6.410 1.00 0.00 H new ATOM 760 N ILE A 471 -9.108 -4.168 8.571 1.00 0.00 N ATOM 761 CA ILE A 471 -8.643 -5.505 8.897 1.00 0.00 C ATOM 762 C ILE A 471 -9.415 -6.028 10.110 1.00 0.00 C ATOM 763 O ILE A 471 -8.911 -6.864 10.858 1.00 0.00 O ATOM 764 CB ILE A 471 -7.124 -5.513 9.085 1.00 0.00 C ATOM 765 CG1 ILE A 471 -6.732 -4.849 10.407 1.00 0.00 C ATOM 766 CG2 ILE A 471 -6.420 -4.870 7.889 1.00 0.00 C ATOM 767 CD1 ILE A 471 -5.227 -4.972 10.656 1.00 0.00 C ATOM 0 H ILE A 471 -9.132 -3.521 9.359 1.00 0.00 H new ATOM 0 HA ILE A 471 -8.843 -6.189 8.072 1.00 0.00 H new ATOM 0 HB ILE A 471 -6.791 -6.550 9.134 1.00 0.00 H new ATOM 0 HG12 ILE A 471 -7.017 -3.797 10.388 1.00 0.00 H new ATOM 0 HG13 ILE A 471 -7.279 -5.313 11.228 1.00 0.00 H new ATOM 0 HG21 ILE A 471 -5.342 -4.889 8.048 1.00 0.00 H new ATOM 0 HG22 ILE A 471 -6.663 -5.425 6.983 1.00 0.00 H new ATOM 0 HG23 ILE A 471 -6.753 -3.838 7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 471 -4.974 -4.492 11.602 1.00 0.00 H new ATOM 0 HD12 ILE A 471 -4.950 -6.025 10.698 1.00 0.00 H new ATOM 0 HD13 ILE A 471 -4.683 -4.486 9.846 1.00 0.00 H new ATOM 779 N GLY A 472 -10.626 -5.514 10.266 1.00 0.00 N ATOM 780 CA GLY A 472 -11.473 -5.918 11.375 1.00 0.00 C ATOM 781 C GLY A 472 -11.548 -7.443 11.481 1.00 0.00 C ATOM 782 O GLY A 472 -12.511 -8.054 11.021 1.00 0.00 O ATOM 0 H GLY A 472 -11.041 -4.821 9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -11.083 -5.504 12.305 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -12.475 -5.510 11.240 1.00 0.00 H new ATOM 786 N SER A 473 -10.518 -8.013 12.089 1.00 0.00 N ATOM 787 CA SER A 473 -10.454 -9.454 12.261 1.00 0.00 C ATOM 788 C SER A 473 -8.998 -9.921 12.228 1.00 0.00 C ATOM 789 O SER A 473 -8.687 -11.028 12.665 1.00 0.00 O ATOM 790 CB SER A 473 -11.267 -10.174 11.183 1.00 0.00 C ATOM 791 OG SER A 473 -12.627 -10.352 11.569 1.00 0.00 O ATOM 0 H SER A 473 -9.721 -7.502 12.469 1.00 0.00 H new ATOM 0 HA SER A 473 -10.886 -9.702 13.230 1.00 0.00 H new ATOM 0 HB2 SER A 473 -11.225 -9.603 10.256 1.00 0.00 H new ATOM 0 HB3 SER A 473 -10.818 -11.146 10.979 1.00 0.00 H new ATOM 0 HG SER A 473 -13.138 -9.545 11.349 1.00 0.00 H new ATOM 797 N ALA A 474 -8.143 -9.054 11.705 1.00 0.00 N ATOM 798 CA ALA A 474 -6.727 -9.364 11.609 1.00 0.00 C ATOM 799 C ALA A 474 -5.917 -8.227 12.234 1.00 0.00 C ATOM 800 O ALA A 474 -6.263 -7.056 12.082 1.00 0.00 O ATOM 801 CB ALA A 474 -6.356 -9.608 10.145 1.00 0.00 C ATOM 0 H ALA A 474 -8.404 -8.137 11.343 1.00 0.00 H new ATOM 0 HA ALA A 474 -6.495 -10.275 12.160 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -5.294 -9.841 10.073 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -6.938 -10.444 9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -6.572 -8.713 9.561 1.00 0.00 H new ATOM 807 N SER A 475 -4.853 -8.611 12.925 1.00 0.00 N ATOM 808 CA SER A 475 -3.991 -7.637 13.574 1.00 0.00 C ATOM 809 C SER A 475 -2.876 -7.207 12.619 1.00 0.00 C ATOM 810 O SER A 475 -1.993 -6.437 12.996 1.00 0.00 O ATOM 811 CB SER A 475 -3.395 -8.204 14.864 1.00 0.00 C ATOM 812 OG SER A 475 -4.310 -8.126 15.954 1.00 0.00 O ATOM 0 H SER A 475 -4.568 -9.583 13.049 1.00 0.00 H new ATOM 0 HA SER A 475 -4.593 -6.767 13.835 1.00 0.00 H new ATOM 0 HB2 SER A 475 -3.109 -9.244 14.705 1.00 0.00 H new ATOM 0 HB3 SER A 475 -2.486 -7.658 15.114 1.00 0.00 H new ATOM 0 HG SER A 475 -3.893 -8.499 16.758 1.00 0.00 H new ATOM 818 N GLN A 476 -2.952 -7.722 11.400 1.00 0.00 N ATOM 819 CA GLN A 476 -1.960 -7.400 10.389 1.00 0.00 C ATOM 820 C GLN A 476 -2.548 -7.592 8.989 1.00 0.00 C ATOM 821 O GLN A 476 -3.415 -8.441 8.787 1.00 0.00 O ATOM 822 CB GLN A 476 -0.696 -8.242 10.573 1.00 0.00 C ATOM 823 CG GLN A 476 0.414 -7.779 9.628 1.00 0.00 C ATOM 824 CD GLN A 476 0.633 -8.791 8.502 1.00 0.00 C ATOM 825 OE1 GLN A 476 0.655 -8.458 7.328 1.00 0.00 O ATOM 826 NE2 GLN A 476 0.795 -10.042 8.923 1.00 0.00 N ATOM 0 H GLN A 476 -3.685 -8.360 11.090 1.00 0.00 H new ATOM 0 HA GLN A 476 -1.679 -6.353 10.504 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -0.353 -8.169 11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.923 -9.291 10.386 1.00 0.00 H new ATOM 0 HG2 GLN A 476 0.155 -6.809 9.204 1.00 0.00 H new ATOM 0 HG3 GLN A 476 1.340 -7.645 10.187 1.00 0.00 H new ATOM 0 HE21 GLN A 476 0.765 -10.252 9.921 1.00 0.00 H new ATOM 0 HE22 GLN A 476 0.949 -10.791 8.248 1.00 0.00 H new ATOM 835 N LEU A 477 -2.052 -6.789 8.059 1.00 0.00 N ATOM 836 CA LEU A 477 -2.518 -6.860 6.684 1.00 0.00 C ATOM 837 C LEU A 477 -1.315 -6.816 5.740 1.00 0.00 C ATOM 838 O LEU A 477 -0.406 -6.007 5.924 1.00 0.00 O ATOM 839 CB LEU A 477 -3.554 -5.768 6.412 1.00 0.00 C ATOM 840 CG LEU A 477 -3.553 -5.179 5.000 1.00 0.00 C ATOM 841 CD1 LEU A 477 -4.899 -5.406 4.310 1.00 0.00 C ATOM 842 CD2 LEU A 477 -3.164 -3.699 5.023 1.00 0.00 C ATOM 0 H LEU A 477 -1.333 -6.086 8.230 1.00 0.00 H new ATOM 0 HA LEU A 477 -3.031 -7.805 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -4.544 -6.176 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -3.393 -4.957 7.123 1.00 0.00 H new ATOM 0 HG LEU A 477 -2.798 -5.702 4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -4.871 -4.978 3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -5.097 -6.476 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -5.689 -4.927 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.171 -3.305 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -3.878 -3.145 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -2.165 -3.592 5.447 1.00 0.00 H new ATOM 854 N GLU A 478 -1.348 -7.695 4.749 1.00 0.00 N ATOM 855 CA GLU A 478 -0.271 -7.766 3.776 1.00 0.00 C ATOM 856 C GLU A 478 -0.724 -7.174 2.439 1.00 0.00 C ATOM 857 O GLU A 478 -1.770 -7.550 1.913 1.00 0.00 O ATOM 858 CB GLU A 478 0.216 -9.206 3.601 1.00 0.00 C ATOM 859 CG GLU A 478 1.737 -9.291 3.739 1.00 0.00 C ATOM 860 CD GLU A 478 2.172 -10.696 4.160 1.00 0.00 C ATOM 861 OE1 GLU A 478 2.102 -11.035 5.351 1.00 0.00 O ATOM 862 OE2 GLU A 478 2.594 -11.447 3.200 1.00 0.00 O ATOM 0 H GLU A 478 -2.103 -8.364 4.599 1.00 0.00 H new ATOM 0 HA GLU A 478 0.567 -7.176 4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 478 -0.257 -9.846 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 478 -0.085 -9.579 2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 478 2.207 -9.030 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 478 2.080 -8.564 4.475 1.00 0.00 H new ATOM 870 N ALA A 479 0.087 -6.259 1.929 1.00 0.00 N ATOM 871 CA ALA A 479 -0.217 -5.612 0.664 1.00 0.00 C ATOM 872 C ALA A 479 1.088 -5.292 -0.067 1.00 0.00 C ATOM 873 O ALA A 479 2.159 -5.288 0.539 1.00 0.00 O ATOM 874 CB ALA A 479 -1.063 -4.363 0.920 1.00 0.00 C ATOM 0 H ALA A 479 0.954 -5.950 2.369 1.00 0.00 H new ATOM 0 HA ALA A 479 -0.799 -6.275 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 479 -1.291 -3.877 -0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 479 -1.992 -4.648 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 479 -0.510 -3.673 1.557 1.00 0.00 H new ATOM 880 N ALA A 480 0.957 -5.031 -1.359 1.00 0.00 N ATOM 881 CA ALA A 480 2.113 -4.712 -2.180 1.00 0.00 C ATOM 882 C ALA A 480 1.773 -3.534 -3.095 1.00 0.00 C ATOM 883 O ALA A 480 0.611 -3.148 -3.210 1.00 0.00 O ATOM 884 CB ALA A 480 2.543 -5.954 -2.962 1.00 0.00 C ATOM 0 H ALA A 480 0.067 -5.034 -1.858 1.00 0.00 H new ATOM 0 HA ALA A 480 2.956 -4.413 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 480 3.410 -5.714 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 480 2.802 -6.751 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 480 1.724 -6.283 -3.601 1.00 0.00 H new ATOM 890 N PHE A 481 2.808 -2.996 -3.724 1.00 0.00 N ATOM 891 CA PHE A 481 2.634 -1.871 -4.626 1.00 0.00 C ATOM 892 C PHE A 481 2.843 -2.296 -6.080 1.00 0.00 C ATOM 893 O PHE A 481 3.685 -3.146 -6.367 1.00 0.00 O ATOM 894 CB PHE A 481 3.692 -0.831 -4.253 1.00 0.00 C ATOM 895 CG PHE A 481 4.105 0.080 -5.411 1.00 0.00 C ATOM 896 CD1 PHE A 481 3.156 0.742 -6.127 1.00 0.00 C ATOM 897 CD2 PHE A 481 5.420 0.228 -5.725 1.00 0.00 C ATOM 898 CE1 PHE A 481 3.539 1.587 -7.202 1.00 0.00 C ATOM 899 CE2 PHE A 481 5.802 1.073 -6.800 1.00 0.00 C ATOM 900 CZ PHE A 481 4.854 1.735 -7.515 1.00 0.00 C ATOM 0 H PHE A 481 3.771 -3.319 -3.626 1.00 0.00 H new ATOM 0 HA PHE A 481 1.623 -1.474 -4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 481 3.310 -0.216 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 481 4.576 -1.346 -3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 481 2.112 0.625 -5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 481 6.173 -0.297 -5.157 1.00 0.00 H new ATOM 0 HE1 PHE A 481 2.786 2.112 -7.771 1.00 0.00 H new ATOM 0 HE2 PHE A 481 6.846 1.190 -7.050 1.00 0.00 H new ATOM 0 HZ PHE A 481 5.145 2.379 -8.332 1.00 0.00 H new ATOM 910 N ASN A 482 2.064 -1.684 -6.960 1.00 0.00 N ATOM 911 CA ASN A 482 2.154 -1.989 -8.378 1.00 0.00 C ATOM 912 C ASN A 482 1.506 -0.859 -9.180 1.00 0.00 C ATOM 913 O ASN A 482 0.435 -0.371 -8.820 1.00 0.00 O ATOM 914 CB ASN A 482 1.416 -3.287 -8.710 1.00 0.00 C ATOM 915 CG ASN A 482 -0.091 -3.132 -8.496 1.00 0.00 C ATOM 916 OD1 ASN A 482 -0.877 -3.105 -9.429 1.00 0.00 O ATOM 917 ND2 ASN A 482 -0.449 -3.031 -7.219 1.00 0.00 N ATOM 0 H ASN A 482 1.368 -0.979 -6.719 1.00 0.00 H new ATOM 0 HA ASN A 482 3.208 -2.098 -8.633 1.00 0.00 H new ATOM 0 HB2 ASN A 482 1.613 -3.567 -9.745 1.00 0.00 H new ATOM 0 HB3 ASN A 482 1.794 -4.095 -8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 482 -1.433 -2.923 -6.972 1.00 0.00 H new ATOM 0 HD22 ASN A 482 0.260 -3.061 -6.487 1.00 0.00 H new ATOM 924 N ASP A 483 2.182 -0.475 -10.253 1.00 0.00 N ATOM 925 CA ASP A 483 1.685 0.590 -11.109 1.00 0.00 C ATOM 926 C ASP A 483 0.393 0.131 -11.788 1.00 0.00 C ATOM 927 O ASP A 483 -0.317 0.937 -12.387 1.00 0.00 O ATOM 928 CB ASP A 483 2.698 0.934 -12.203 1.00 0.00 C ATOM 929 CG ASP A 483 3.196 -0.258 -13.022 1.00 0.00 C ATOM 930 OD1 ASP A 483 2.913 -1.421 -12.695 1.00 0.00 O ATOM 931 OD2 ASP A 483 3.914 0.047 -14.049 1.00 0.00 O ATOM 0 H ASP A 483 3.069 -0.882 -10.549 1.00 0.00 H new ATOM 0 HA ASP A 483 1.511 1.469 -10.489 1.00 0.00 H new ATOM 0 HB2 ASP A 483 2.246 1.658 -12.881 1.00 0.00 H new ATOM 0 HB3 ASP A 483 3.556 1.422 -11.742 1.00 0.00 H new ATOM 1097 N ASN A 495 5.258 -9.896 -0.645 1.00 0.00 N ATOM 1098 CA ASN A 495 4.482 -8.696 -0.379 1.00 0.00 C ATOM 1099 C ASN A 495 4.890 -8.122 0.979 1.00 0.00 C ATOM 1100 O ASN A 495 5.648 -8.747 1.720 1.00 0.00 O ATOM 1101 CB ASN A 495 2.985 -9.009 -0.330 1.00 0.00 C ATOM 1102 CG ASN A 495 2.725 -10.332 0.393 1.00 0.00 C ATOM 1103 OD1 ASN A 495 3.626 -10.981 0.897 1.00 0.00 O ATOM 1104 ND2 ASN A 495 1.445 -10.693 0.415 1.00 0.00 N ATOM 0 HA ASN A 495 4.675 -7.983 -1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 495 2.458 -8.202 0.179 1.00 0.00 H new ATOM 0 HB3 ASN A 495 2.587 -9.060 -1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 495 1.168 -11.561 0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 495 0.741 -10.102 -0.027 1.00 0.00 H new ATOM 1111 N TYR A 496 4.369 -6.938 1.265 1.00 0.00 N ATOM 1112 CA TYR A 496 4.670 -6.272 2.521 1.00 0.00 C ATOM 1113 C TYR A 496 3.559 -6.507 3.547 1.00 0.00 C ATOM 1114 O TYR A 496 2.428 -6.823 3.180 1.00 0.00 O ATOM 1115 CB TYR A 496 4.742 -4.777 2.199 1.00 0.00 C ATOM 1116 CG TYR A 496 5.906 -4.393 1.284 1.00 0.00 C ATOM 1117 CD1 TYR A 496 7.206 -4.543 1.722 1.00 0.00 C ATOM 1118 CD2 TYR A 496 5.656 -3.897 0.021 1.00 0.00 C ATOM 1119 CE1 TYR A 496 8.302 -4.182 0.860 1.00 0.00 C ATOM 1120 CE2 TYR A 496 6.752 -3.536 -0.841 1.00 0.00 C ATOM 1121 CZ TYR A 496 8.021 -3.696 -0.378 1.00 0.00 C ATOM 1122 OH TYR A 496 9.056 -3.354 -1.192 1.00 0.00 O ATOM 0 H TYR A 496 3.740 -6.423 0.649 1.00 0.00 H new ATOM 0 HA TYR A 496 5.599 -6.654 2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 496 3.807 -4.472 1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 496 4.827 -4.219 3.131 1.00 0.00 H new ATOM 0 HD1 TYR A 496 7.402 -4.931 2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 496 4.638 -3.779 -0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 496 9.324 -4.295 1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 496 6.570 -3.147 -1.832 1.00 0.00 H new ATOM 0 HH TYR A 496 8.733 -3.269 -2.113 1.00 0.00 H new ATOM 1132 N SER A 497 3.920 -6.344 4.811 1.00 0.00 N ATOM 1133 CA SER A 497 2.968 -6.536 5.892 1.00 0.00 C ATOM 1134 C SER A 497 2.928 -5.291 6.781 1.00 0.00 C ATOM 1135 O SER A 497 3.967 -4.700 7.074 1.00 0.00 O ATOM 1136 CB SER A 497 3.320 -7.771 6.723 1.00 0.00 C ATOM 1137 OG SER A 497 2.942 -7.621 8.089 1.00 0.00 O ATOM 0 H SER A 497 4.859 -6.081 5.111 1.00 0.00 H new ATOM 0 HA SER A 497 1.982 -6.695 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 497 2.822 -8.645 6.303 1.00 0.00 H new ATOM 0 HB3 SER A 497 4.393 -7.955 6.662 1.00 0.00 H new ATOM 0 HG SER A 497 3.321 -8.355 8.616 1.00 0.00 H new ATOM 1143 N PHE A 498 1.719 -4.930 7.185 1.00 0.00 N ATOM 1144 CA PHE A 498 1.531 -3.766 8.034 1.00 0.00 C ATOM 1145 C PHE A 498 0.502 -4.049 9.131 1.00 0.00 C ATOM 1146 O PHE A 498 -0.544 -4.641 8.869 1.00 0.00 O ATOM 1147 CB PHE A 498 1.009 -2.640 7.140 1.00 0.00 C ATOM 1148 CG PHE A 498 1.429 -2.764 5.674 1.00 0.00 C ATOM 1149 CD1 PHE A 498 0.659 -3.468 4.803 1.00 0.00 C ATOM 1150 CD2 PHE A 498 2.574 -2.169 5.243 1.00 0.00 C ATOM 1151 CE1 PHE A 498 1.050 -3.583 3.442 1.00 0.00 C ATOM 1152 CE2 PHE A 498 2.964 -2.283 3.882 1.00 0.00 C ATOM 1153 CZ PHE A 498 2.194 -2.988 3.011 1.00 0.00 C ATOM 0 H PHE A 498 0.860 -5.423 6.940 1.00 0.00 H new ATOM 0 HA PHE A 498 2.472 -3.500 8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 498 -0.079 -2.621 7.195 1.00 0.00 H new ATOM 0 HB3 PHE A 498 1.364 -1.686 7.530 1.00 0.00 H new ATOM 0 HD1 PHE A 498 -0.250 -3.940 5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 498 3.186 -1.610 5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 498 0.439 -4.143 2.750 1.00 0.00 H new ATOM 0 HE2 PHE A 498 3.872 -1.810 3.539 1.00 0.00 H new ATOM 0 HZ PHE A 498 2.491 -3.075 1.976 1.00 0.00 H new ATOM 1163 N SER A 499 0.835 -3.613 10.337 1.00 0.00 N ATOM 1164 CA SER A 499 -0.046 -3.812 11.475 1.00 0.00 C ATOM 1165 C SER A 499 -0.962 -2.598 11.646 1.00 0.00 C ATOM 1166 O SER A 499 -0.577 -1.475 11.323 1.00 0.00 O ATOM 1167 CB SER A 499 0.755 -4.057 12.755 1.00 0.00 C ATOM 1168 OG SER A 499 2.136 -3.750 12.588 1.00 0.00 O ATOM 0 H SER A 499 1.703 -3.122 10.551 1.00 0.00 H new ATOM 0 HA SER A 499 -0.656 -4.695 11.285 1.00 0.00 H new ATOM 0 HB2 SER A 499 0.344 -3.450 13.562 1.00 0.00 H new ATOM 0 HB3 SER A 499 0.649 -5.100 13.055 1.00 0.00 H new ATOM 0 HG SER A 499 2.612 -3.918 13.428 1.00 0.00 H new ATOM 1174 N THR A 500 -2.156 -2.865 12.153 1.00 0.00 N ATOM 1175 CA THR A 500 -3.130 -1.808 12.370 1.00 0.00 C ATOM 1176 C THR A 500 -2.424 -0.467 12.578 1.00 0.00 C ATOM 1177 O THR A 500 -1.419 -0.393 13.283 1.00 0.00 O ATOM 1178 CB THR A 500 -4.016 -2.218 13.548 1.00 0.00 C ATOM 1179 OG1 THR A 500 -3.091 -2.604 14.561 1.00 0.00 O ATOM 1180 CG2 THR A 500 -4.814 -3.492 13.266 1.00 0.00 C ATOM 0 H THR A 500 -2.472 -3.797 12.420 1.00 0.00 H new ATOM 0 HA THR A 500 -3.768 -1.671 11.497 1.00 0.00 H new ATOM 0 HB THR A 500 -4.703 -1.405 13.785 1.00 0.00 H new ATOM 0 HG1 THR A 500 -3.581 -2.883 15.362 1.00 0.00 H new ATOM 0 HG21 THR A 500 -5.426 -3.738 14.134 1.00 0.00 H new ATOM 0 HG22 THR A 500 -5.458 -3.334 12.401 1.00 0.00 H new ATOM 0 HG23 THR A 500 -4.127 -4.314 13.061 1.00 0.00 H new ATOM 1188 N GLY A 501 -2.978 0.560 11.952 1.00 0.00 N ATOM 1189 CA GLY A 501 -2.414 1.895 12.059 1.00 0.00 C ATOM 1190 C GLY A 501 -2.198 2.512 10.675 1.00 0.00 C ATOM 1191 O GLY A 501 -2.977 2.269 9.755 1.00 0.00 O ATOM 0 H GLY A 501 -3.812 0.495 11.368 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -3.080 2.529 12.644 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -1.465 1.851 12.594 1.00 0.00 H new ATOM 1195 N THR A 502 -1.137 3.298 10.572 1.00 0.00 N ATOM 1196 CA THR A 502 -0.809 3.952 9.317 1.00 0.00 C ATOM 1197 C THR A 502 0.654 3.698 8.949 1.00 0.00 C ATOM 1198 O THR A 502 1.532 3.752 9.809 1.00 0.00 O ATOM 1199 CB THR A 502 -1.152 5.437 9.453 1.00 0.00 C ATOM 1200 OG1 THR A 502 -2.440 5.441 10.062 1.00 0.00 O ATOM 1201 CG2 THR A 502 -1.377 6.113 8.099 1.00 0.00 C ATOM 0 H THR A 502 -0.493 3.497 11.338 1.00 0.00 H new ATOM 0 HA THR A 502 -1.394 3.543 8.494 1.00 0.00 H new ATOM 0 HB THR A 502 -0.349 5.948 9.984 1.00 0.00 H new ATOM 0 HG1 THR A 502 -2.739 6.366 10.189 1.00 0.00 H new ATOM 0 HG21 THR A 502 -1.617 7.165 8.253 1.00 0.00 H new ATOM 0 HG22 THR A 502 -0.472 6.032 7.497 1.00 0.00 H new ATOM 0 HG23 THR A 502 -2.202 5.624 7.581 1.00 0.00 H new ATOM 1209 N SER A 503 0.871 3.425 7.671 1.00 0.00 N ATOM 1210 CA SER A 503 2.213 3.162 7.179 1.00 0.00 C ATOM 1211 C SER A 503 2.466 3.958 5.897 1.00 0.00 C ATOM 1212 O SER A 503 1.541 4.211 5.127 1.00 0.00 O ATOM 1213 CB SER A 503 2.424 1.668 6.927 1.00 0.00 C ATOM 1214 OG SER A 503 1.283 1.062 6.325 1.00 0.00 O ATOM 0 H SER A 503 0.140 3.380 6.961 1.00 0.00 H new ATOM 0 HA SER A 503 2.925 3.478 7.941 1.00 0.00 H new ATOM 0 HB2 SER A 503 3.292 1.528 6.282 1.00 0.00 H new ATOM 0 HB3 SER A 503 2.644 1.169 7.871 1.00 0.00 H new ATOM 0 HG SER A 503 1.527 0.179 5.978 1.00 0.00 H new ATOM 1220 N THR A 504 3.723 4.330 5.708 1.00 0.00 N ATOM 1221 CA THR A 504 4.110 5.093 4.533 1.00 0.00 C ATOM 1222 C THR A 504 5.005 4.251 3.622 1.00 0.00 C ATOM 1223 O THR A 504 5.891 3.542 4.099 1.00 0.00 O ATOM 1224 CB THR A 504 4.771 6.388 5.006 1.00 0.00 C ATOM 1225 OG1 THR A 504 3.688 7.169 5.506 1.00 0.00 O ATOM 1226 CG2 THR A 504 5.326 7.220 3.848 1.00 0.00 C ATOM 0 H THR A 504 4.487 4.117 6.349 1.00 0.00 H new ATOM 0 HA THR A 504 3.242 5.357 3.929 1.00 0.00 H new ATOM 0 HB THR A 504 5.576 6.150 5.701 1.00 0.00 H new ATOM 0 HG1 THR A 504 3.877 7.437 6.430 1.00 0.00 H new ATOM 0 HG21 THR A 504 5.784 8.128 4.239 1.00 0.00 H new ATOM 0 HG22 THR A 504 6.074 6.639 3.309 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.515 7.486 3.170 1.00 0.00 H new ATOM 1234 N TYR A 505 4.744 4.356 2.327 1.00 0.00 N ATOM 1235 CA TYR A 505 5.515 3.613 1.345 1.00 0.00 C ATOM 1236 C TYR A 505 6.223 4.559 0.374 1.00 0.00 C ATOM 1237 O TYR A 505 5.579 5.375 -0.284 1.00 0.00 O ATOM 1238 CB TYR A 505 4.504 2.767 0.569 1.00 0.00 C ATOM 1239 CG TYR A 505 5.142 1.702 -0.326 1.00 0.00 C ATOM 1240 CD1 TYR A 505 5.965 2.079 -1.368 1.00 0.00 C ATOM 1241 CD2 TYR A 505 4.894 0.365 -0.092 1.00 0.00 C ATOM 1242 CE1 TYR A 505 6.565 1.077 -2.210 1.00 0.00 C ATOM 1243 CE2 TYR A 505 5.494 -0.638 -0.934 1.00 0.00 C ATOM 1244 CZ TYR A 505 6.299 -0.232 -1.952 1.00 0.00 C ATOM 1245 OH TYR A 505 6.866 -1.178 -2.747 1.00 0.00 O ATOM 0 H TYR A 505 4.009 4.945 1.935 1.00 0.00 H new ATOM 0 HA TYR A 505 6.279 3.008 1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 505 3.835 2.279 1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 505 3.891 3.425 -0.047 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.159 3.125 -1.552 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.250 0.070 0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 505 7.212 1.358 -3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 505 5.309 -1.688 -0.761 1.00 0.00 H new ATOM 0 HH TYR A 505 7.337 -1.833 -2.191 1.00 0.00 H new ATOM 1255 N THR A 506 7.539 4.419 0.314 1.00 0.00 N ATOM 1256 CA THR A 506 8.341 5.252 -0.565 1.00 0.00 C ATOM 1257 C THR A 506 9.285 4.387 -1.404 1.00 0.00 C ATOM 1258 O THR A 506 9.744 3.341 -0.948 1.00 0.00 O ATOM 1259 CB THR A 506 9.069 6.286 0.296 1.00 0.00 C ATOM 1260 OG1 THR A 506 8.085 7.287 0.541 1.00 0.00 O ATOM 1261 CG2 THR A 506 10.166 7.022 -0.475 1.00 0.00 C ATOM 0 H THR A 506 8.070 3.741 0.860 1.00 0.00 H new ATOM 0 HA THR A 506 7.717 5.786 -1.281 1.00 0.00 H new ATOM 0 HB THR A 506 9.505 5.793 1.165 1.00 0.00 H new ATOM 0 HG1 THR A 506 8.472 7.997 1.095 1.00 0.00 H new ATOM 0 HG21 THR A 506 10.651 7.744 0.182 1.00 0.00 H new ATOM 0 HG22 THR A 506 10.904 6.304 -0.832 1.00 0.00 H new ATOM 0 HG23 THR A 506 9.726 7.543 -1.325 1.00 0.00 H new ATOM 1269 N PRO A 507 9.554 4.868 -2.647 1.00 0.00 N ATOM 1270 CA PRO A 507 10.434 4.151 -3.553 1.00 0.00 C ATOM 1271 C PRO A 507 11.898 4.312 -3.137 1.00 0.00 C ATOM 1272 O PRO A 507 12.298 5.372 -2.658 1.00 0.00 O ATOM 1273 CB PRO A 507 10.141 4.730 -4.927 1.00 0.00 C ATOM 1274 CG PRO A 507 9.451 6.062 -4.680 1.00 0.00 C ATOM 1275 CD PRO A 507 9.028 6.104 -3.221 1.00 0.00 C ATOM 0 HA PRO A 507 10.261 3.075 -3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 507 11.060 4.866 -5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 507 9.503 4.061 -5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 507 10.125 6.889 -4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 507 8.584 6.170 -5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 507 9.435 6.980 -2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 507 7.944 6.155 -3.124 1.00 0.00 H new ATOM 1346 N GLY A 514 11.606 -0.203 -2.279 1.00 0.00 N ATOM 1347 CA GLY A 514 10.322 -0.169 -1.599 1.00 0.00 C ATOM 1348 C GLY A 514 10.507 -0.083 -0.083 1.00 0.00 C ATOM 1349 O GLY A 514 10.706 -1.100 0.581 1.00 0.00 O ATOM 0 HA2 GLY A 514 9.744 0.687 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 514 9.750 -1.063 -1.849 1.00 0.00 H new ATOM 1353 N THR A 515 10.434 1.140 0.422 1.00 0.00 N ATOM 1354 CA THR A 515 10.591 1.372 1.848 1.00 0.00 C ATOM 1355 C THR A 515 9.227 1.587 2.506 1.00 0.00 C ATOM 1356 O THR A 515 8.361 2.257 1.944 1.00 0.00 O ATOM 1357 CB THR A 515 11.548 2.551 2.033 1.00 0.00 C ATOM 1358 OG1 THR A 515 11.405 3.305 0.832 1.00 0.00 O ATOM 1359 CG2 THR A 515 13.016 2.119 2.029 1.00 0.00 C ATOM 0 H THR A 515 10.268 1.981 -0.131 1.00 0.00 H new ATOM 0 HA THR A 515 11.023 0.504 2.345 1.00 0.00 H new ATOM 0 HB THR A 515 11.322 3.059 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 515 10.457 3.504 0.681 1.00 0.00 H new ATOM 0 HG21 THR A 515 13.653 2.993 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 515 13.190 1.414 2.842 1.00 0.00 H new ATOM 0 HG23 THR A 515 13.252 1.641 1.078 1.00 0.00 H new ATOM 1367 N ILE A 516 9.078 1.008 3.688 1.00 0.00 N ATOM 1368 CA ILE A 516 7.833 1.128 4.429 1.00 0.00 C ATOM 1369 C ILE A 516 8.120 1.734 5.805 1.00 0.00 C ATOM 1370 O ILE A 516 9.104 1.376 6.451 1.00 0.00 O ATOM 1371 CB ILE A 516 7.113 -0.220 4.489 1.00 0.00 C ATOM 1372 CG1 ILE A 516 7.252 -0.975 3.165 1.00 0.00 C ATOM 1373 CG2 ILE A 516 5.649 -0.042 4.897 1.00 0.00 C ATOM 1374 CD1 ILE A 516 8.040 -2.273 3.354 1.00 0.00 C ATOM 0 H ILE A 516 9.798 0.454 4.151 1.00 0.00 H new ATOM 0 HA ILE A 516 7.149 1.806 3.918 1.00 0.00 H new ATOM 0 HB ILE A 516 7.589 -0.828 5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 516 6.263 -1.201 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 516 7.755 -0.343 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 516 5.160 -1.016 4.932 1.00 0.00 H new ATOM 0 HG22 ILE A 516 5.600 0.424 5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 516 5.143 0.592 4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 516 8.124 -2.790 2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 516 9.036 -2.042 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 516 7.521 -2.913 4.068 1.00 0.00 H new ATOM 1386 N THR A 517 7.244 2.640 6.212 1.00 0.00 N ATOM 1387 CA THR A 517 7.391 3.299 7.498 1.00 0.00 C ATOM 1388 C THR A 517 6.093 3.194 8.302 1.00 0.00 C ATOM 1389 O THR A 517 5.033 2.920 7.743 1.00 0.00 O ATOM 1390 CB THR A 517 7.833 4.741 7.243 1.00 0.00 C ATOM 1391 OG1 THR A 517 7.368 5.019 5.926 1.00 0.00 O ATOM 1392 CG2 THR A 517 9.354 4.877 7.138 1.00 0.00 C ATOM 0 H THR A 517 6.429 2.933 5.673 1.00 0.00 H new ATOM 0 HA THR A 517 8.154 2.813 8.107 1.00 0.00 H new ATOM 0 HB THR A 517 7.466 5.381 8.046 1.00 0.00 H new ATOM 0 HG1 THR A 517 7.639 5.925 5.668 1.00 0.00 H new ATOM 0 HG21 THR A 517 9.614 5.920 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 517 9.814 4.544 8.068 1.00 0.00 H new ATOM 0 HG23 THR A 517 9.718 4.264 6.314 1.00 0.00 H new ATOM 1400 N SER A 518 6.220 3.419 9.602 1.00 0.00 N ATOM 1401 CA SER A 518 5.071 3.353 10.488 1.00 0.00 C ATOM 1402 C SER A 518 4.630 4.765 10.880 1.00 0.00 C ATOM 1403 O SER A 518 5.141 5.334 11.844 1.00 0.00 O ATOM 1404 CB SER A 518 5.386 2.530 11.739 1.00 0.00 C ATOM 1405 OG SER A 518 5.422 1.132 11.463 1.00 0.00 O ATOM 0 H SER A 518 7.101 3.647 10.062 1.00 0.00 H new ATOM 0 HA SER A 518 4.258 2.859 9.956 1.00 0.00 H new ATOM 0 HB2 SER A 518 6.347 2.844 12.147 1.00 0.00 H new ATOM 0 HB3 SER A 518 4.635 2.730 12.503 1.00 0.00 H new ATOM 0 HG SER A 518 5.628 0.641 12.286 1.00 0.00 H new ATOM 1411 N GLY A 519 3.688 5.291 10.111 1.00 0.00 N ATOM 1412 CA GLY A 519 3.173 6.626 10.366 1.00 0.00 C ATOM 1413 C GLY A 519 3.236 7.488 9.103 1.00 0.00 C ATOM 1414 O GLY A 519 4.270 7.547 8.438 1.00 0.00 O ATOM 0 H GLY A 519 3.268 4.817 9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 519 2.143 6.562 10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 519 3.751 7.097 11.161 1.00 0.00 H new ATOM 1418 N ALA A 520 2.117 8.134 8.809 1.00 0.00 N ATOM 1419 CA ALA A 520 2.032 8.989 7.638 1.00 0.00 C ATOM 1420 C ALA A 520 3.077 10.102 7.747 1.00 0.00 C ATOM 1421 O ALA A 520 3.509 10.447 8.846 1.00 0.00 O ATOM 1422 CB ALA A 520 0.609 9.536 7.507 1.00 0.00 C ATOM 0 H ALA A 520 1.262 8.082 9.362 1.00 0.00 H new ATOM 0 HA ALA A 520 2.248 8.422 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 520 0.545 10.178 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -0.091 8.707 7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 520 0.358 10.113 8.397 1.00 0.00 H new ATOM 1428 N PRO A 521 3.462 10.646 6.562 1.00 0.00 N ATOM 1429 CA PRO A 521 4.448 11.713 6.514 1.00 0.00 C ATOM 1430 C PRO A 521 3.840 13.042 6.967 1.00 0.00 C ATOM 1431 O PRO A 521 2.646 13.276 6.787 1.00 0.00 O ATOM 1432 CB PRO A 521 4.928 11.740 5.072 1.00 0.00 C ATOM 1433 CG PRO A 521 3.868 11.008 4.266 1.00 0.00 C ATOM 1434 CD PRO A 521 2.972 10.263 5.241 1.00 0.00 C ATOM 0 HA PRO A 521 5.283 11.546 7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 521 5.048 12.764 4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 521 5.898 11.253 4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 521 3.284 11.713 3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 521 4.333 10.313 3.567 1.00 0.00 H new ATOM 0 HD2 PRO A 521 1.926 10.542 5.110 1.00 0.00 H new ATOM 0 HD3 PRO A 521 3.035 9.185 5.092 1.00 0.00 H new