USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=27 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 476 GLN : amide:sc= -0.897 K(o=-0.9,f=0) USER MOD Set 1.2: A 497 SER OG : rot -91:sc= 0 USER MOD Set 2.1: A 440 HIS : no HD1:sc= -12.3! C(o=-12!,f=-18!) USER MOD Set 2.2: A 449 THR OG1 : rot 56:sc= 0.21 USER MOD Single : A 424 ASN : amide:sc= -2.16 X(o=-2.2,f=-1.7) USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 THR OG1 : rot 180:sc= -3.1! USER MOD Single : A 429 TYR OH : rot 180:sc= -0.236 USER MOD Single : A 430 TYR OH : rot 126:sc= -1.26! USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 LYS NZ :NH3+ 179:sc= 0.775 (180deg=0.774) USER MOD Single : A 435 ASN : amide:sc= -4.66! C(o=-4.7!,f=-15!) USER MOD Single : A 436 SER OG : rot 57:sc= 0.477 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= -0.617! USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 175:sc= -6.4! (180deg=-6.55!) USER MOD Single : A 457 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.0068) USER MOD Single : A 462 SER OG : rot 68:sc= 1.19 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= -0.0159 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 475 SER OG : rot 180:sc= 0 USER MOD Single : A 482 ASN : amide:sc= -2.01 K(o=-2,f=-6.6!) USER MOD Single : A 495 ASN : amide:sc= -9.08! C(o=-9.1!,f=-9.4!) USER MOD Single : A 496 TYR OH : rot 180:sc= 0 USER MOD Single : A 499 SER OG : rot 180:sc= 0.00276 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.0396 USER MOD Single : A 503 SER OG : rot 163:sc= -0.635 USER MOD Single : A 504 THR OG1 : rot 124:sc= -1.13! USER MOD Single : A 505 TYR OH : rot 141:sc= -0.841 USER MOD Single : A 506 THR OG1 : rot 180:sc= 0 USER MOD Single : A 515 THR OG1 : rot 50:sc= 0.404 USER MOD Single : A 517 THR OG1 : rot 180:sc= -1.68! USER MOD Single : A 518 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 424 -10.379 -2.986 13.195 1.00 0.00 N ATOM 37 CA ASN A 424 -9.093 -2.328 13.039 1.00 0.00 C ATOM 38 C ASN A 424 -9.016 -1.693 11.649 1.00 0.00 C ATOM 39 O ASN A 424 -9.717 -2.114 10.730 1.00 0.00 O ATOM 40 CB ASN A 424 -7.943 -3.328 13.166 1.00 0.00 C ATOM 41 CG ASN A 424 -7.480 -3.450 14.619 1.00 0.00 C ATOM 42 OD1 ASN A 424 -7.363 -4.531 15.173 1.00 0.00 O ATOM 43 ND2 ASN A 424 -7.225 -2.283 15.205 1.00 0.00 N ATOM 0 HA ASN A 424 -9.003 -1.574 13.821 1.00 0.00 H new ATOM 0 HB2 ASN A 424 -8.263 -4.303 12.799 1.00 0.00 H new ATOM 0 HB3 ASN A 424 -7.109 -3.010 12.540 1.00 0.00 H new ATOM 0 HD21 ASN A 424 -6.911 -2.257 16.175 1.00 0.00 H new ATOM 0 HD22 ASN A 424 -7.343 -1.414 14.684 1.00 0.00 H new ATOM 50 N LYS A 425 -8.157 -0.690 11.538 1.00 0.00 N ATOM 51 CA LYS A 425 -7.979 0.007 10.276 1.00 0.00 C ATOM 52 C LYS A 425 -6.487 0.082 9.945 1.00 0.00 C ATOM 53 O LYS A 425 -5.658 0.260 10.836 1.00 0.00 O ATOM 54 CB LYS A 425 -8.669 1.372 10.316 1.00 0.00 C ATOM 55 CG LYS A 425 -10.150 1.249 9.953 1.00 0.00 C ATOM 56 CD LYS A 425 -10.509 2.176 8.790 1.00 0.00 C ATOM 57 CE LYS A 425 -11.362 3.352 9.268 1.00 0.00 C ATOM 58 NZ LYS A 425 -10.841 4.626 8.724 1.00 0.00 N ATOM 0 H LYS A 425 -7.577 -0.344 12.302 1.00 0.00 H new ATOM 0 HA LYS A 425 -8.458 -0.543 9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -8.570 1.805 11.312 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -8.176 2.053 9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -10.378 0.218 9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -10.762 1.495 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -9.597 2.550 8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -11.051 1.616 8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -12.396 3.211 8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -11.363 3.389 10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -11.432 5.414 9.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -9.862 4.766 9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -10.862 4.594 7.685 1.00 0.00 H new ATOM 71 N VAL A 426 -6.191 -0.059 8.662 1.00 0.00 N ATOM 72 CA VAL A 426 -4.813 -0.011 8.202 1.00 0.00 C ATOM 73 C VAL A 426 -4.688 1.029 7.087 1.00 0.00 C ATOM 74 O VAL A 426 -5.362 0.931 6.063 1.00 0.00 O ATOM 75 CB VAL A 426 -4.355 -1.406 7.772 1.00 0.00 C ATOM 76 CG1 VAL A 426 -2.842 -1.442 7.549 1.00 0.00 C ATOM 77 CG2 VAL A 426 -4.785 -2.463 8.791 1.00 0.00 C ATOM 0 H VAL A 426 -6.881 -0.207 7.926 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.151 0.298 9.011 1.00 0.00 H new ATOM 0 HB VAL A 426 -4.839 -1.640 6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -2.543 -2.445 7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -2.572 -0.730 6.769 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -2.331 -1.177 8.475 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -4.447 -3.445 8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -4.344 -2.234 9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -5.872 -2.464 8.878 1.00 0.00 H new ATOM 87 N THR A 427 -3.821 2.003 7.325 1.00 0.00 N ATOM 88 CA THR A 427 -3.599 3.061 6.353 1.00 0.00 C ATOM 89 C THR A 427 -2.199 2.944 5.749 1.00 0.00 C ATOM 90 O THR A 427 -1.216 2.795 6.473 1.00 0.00 O ATOM 91 CB THR A 427 -3.852 4.400 7.048 1.00 0.00 C ATOM 92 OG1 THR A 427 -5.207 4.316 7.481 1.00 0.00 O ATOM 93 CG2 THR A 427 -3.846 5.577 6.070 1.00 0.00 C ATOM 0 H THR A 427 -3.264 2.082 8.176 1.00 0.00 H new ATOM 0 HA THR A 427 -4.289 2.979 5.513 1.00 0.00 H new ATOM 0 HB THR A 427 -3.094 4.560 7.814 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.454 5.143 7.944 1.00 0.00 H new ATOM 0 HG21 THR A 427 -4.030 6.503 6.614 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.877 5.634 5.575 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.627 5.434 5.323 1.00 0.00 H new ATOM 101 N ILE A 428 -2.152 3.017 4.427 1.00 0.00 N ATOM 102 CA ILE A 428 -0.888 2.922 3.716 1.00 0.00 C ATOM 103 C ILE A 428 -0.795 4.057 2.695 1.00 0.00 C ATOM 104 O ILE A 428 -1.658 4.190 1.829 1.00 0.00 O ATOM 105 CB ILE A 428 -0.721 1.529 3.104 1.00 0.00 C ATOM 106 CG1 ILE A 428 -0.158 0.543 4.130 1.00 0.00 C ATOM 107 CG2 ILE A 428 0.132 1.586 1.835 1.00 0.00 C ATOM 108 CD1 ILE A 428 -1.212 -0.490 4.533 1.00 0.00 C ATOM 0 H ILE A 428 -2.969 3.141 3.829 1.00 0.00 H new ATOM 0 HA ILE A 428 -0.053 3.044 4.406 1.00 0.00 H new ATOM 0 HB ILE A 428 -1.706 1.163 2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.712 0.036 3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 428 0.181 1.085 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 428 0.235 0.583 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -0.349 2.234 1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 428 1.118 1.982 2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 428 -0.786 -1.179 5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 428 -2.071 0.018 4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -1.531 -1.047 3.652 1.00 0.00 H new ATOM 120 N TYR A 429 0.260 4.847 2.831 1.00 0.00 N ATOM 121 CA TYR A 429 0.477 5.967 1.931 1.00 0.00 C ATOM 122 C TYR A 429 1.727 5.750 1.076 1.00 0.00 C ATOM 123 O TYR A 429 2.839 5.694 1.599 1.00 0.00 O ATOM 124 CB TYR A 429 0.691 7.191 2.825 1.00 0.00 C ATOM 125 CG TYR A 429 -0.552 7.614 3.609 1.00 0.00 C ATOM 126 CD1 TYR A 429 -1.755 6.973 3.393 1.00 0.00 C ATOM 127 CD2 TYR A 429 -0.471 8.637 4.532 1.00 0.00 C ATOM 128 CE1 TYR A 429 -2.926 7.371 4.132 1.00 0.00 C ATOM 129 CE2 TYR A 429 -1.641 9.035 5.270 1.00 0.00 C ATOM 130 CZ TYR A 429 -2.811 8.383 5.034 1.00 0.00 C ATOM 131 OH TYR A 429 -3.916 8.759 5.731 1.00 0.00 O ATOM 0 H TYR A 429 0.974 4.734 3.551 1.00 0.00 H new ATOM 0 HA TYR A 429 -0.370 6.086 1.255 1.00 0.00 H new ATOM 0 HB2 TYR A 429 1.496 6.978 3.528 1.00 0.00 H new ATOM 0 HB3 TYR A 429 1.020 8.026 2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 429 -1.819 6.173 2.670 1.00 0.00 H new ATOM 0 HD2 TYR A 429 0.470 9.139 4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 429 -3.873 6.877 3.974 1.00 0.00 H new ATOM 0 HE2 TYR A 429 -1.591 9.834 5.995 1.00 0.00 H new ATOM 0 HH TYR A 429 -3.685 9.492 6.339 1.00 0.00 H new ATOM 141 N TYR A 430 1.503 5.633 -0.224 1.00 0.00 N ATOM 142 CA TYR A 430 2.597 5.423 -1.157 1.00 0.00 C ATOM 143 C TYR A 430 2.866 6.684 -1.980 1.00 0.00 C ATOM 144 O TYR A 430 1.933 7.364 -2.403 1.00 0.00 O ATOM 145 CB TYR A 430 2.142 4.303 -2.095 1.00 0.00 C ATOM 146 CG TYR A 430 2.881 4.275 -3.434 1.00 0.00 C ATOM 147 CD1 TYR A 430 4.250 4.450 -3.471 1.00 0.00 C ATOM 148 CD2 TYR A 430 2.179 4.075 -4.605 1.00 0.00 C ATOM 149 CE1 TYR A 430 4.945 4.423 -4.732 1.00 0.00 C ATOM 150 CE2 TYR A 430 2.874 4.048 -5.866 1.00 0.00 C ATOM 151 CZ TYR A 430 4.223 4.224 -5.867 1.00 0.00 C ATOM 152 OH TYR A 430 4.880 4.199 -7.058 1.00 0.00 O ATOM 0 H TYR A 430 0.579 5.680 -0.654 1.00 0.00 H new ATOM 0 HA TYR A 430 3.514 5.174 -0.623 1.00 0.00 H new ATOM 0 HB2 TYR A 430 2.281 3.345 -1.595 1.00 0.00 H new ATOM 0 HB3 TYR A 430 1.074 4.412 -2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 430 4.799 4.607 -2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 430 1.108 3.939 -4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 430 6.016 4.558 -4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 430 2.337 3.892 -6.790 1.00 0.00 H new ATOM 0 HH TYR A 430 4.665 3.369 -7.533 1.00 0.00 H new ATOM 162 N LYS A 431 4.146 6.958 -2.183 1.00 0.00 N ATOM 163 CA LYS A 431 4.550 8.125 -2.948 1.00 0.00 C ATOM 164 C LYS A 431 4.047 7.986 -4.386 1.00 0.00 C ATOM 165 O LYS A 431 4.082 6.897 -4.957 1.00 0.00 O ATOM 166 CB LYS A 431 6.062 8.338 -2.843 1.00 0.00 C ATOM 167 CG LYS A 431 6.527 9.441 -3.796 1.00 0.00 C ATOM 168 CD LYS A 431 7.072 8.848 -5.097 1.00 0.00 C ATOM 169 CE LYS A 431 7.527 9.951 -6.054 1.00 0.00 C ATOM 170 NZ LYS A 431 8.949 10.288 -5.820 1.00 0.00 N ATOM 0 H LYS A 431 4.917 6.391 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 431 4.095 9.026 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.326 8.602 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.581 7.408 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 431 5.695 10.110 -4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 431 7.299 10.041 -3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 431 7.909 8.185 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 431 6.303 8.242 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 431 7.390 9.625 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 431 6.909 10.838 -5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 9.241 11.038 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 9.071 10.619 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 9.536 9.444 -5.975 1.00 0.00 H new ATOM 183 N LYS A 432 3.591 9.104 -4.931 1.00 0.00 N ATOM 184 CA LYS A 432 3.082 9.121 -6.292 1.00 0.00 C ATOM 185 C LYS A 432 4.257 9.127 -7.272 1.00 0.00 C ATOM 186 O LYS A 432 5.007 10.099 -7.340 1.00 0.00 O ATOM 187 CB LYS A 432 2.112 10.288 -6.487 1.00 0.00 C ATOM 188 CG LYS A 432 1.052 9.951 -7.537 1.00 0.00 C ATOM 189 CD LYS A 432 -0.033 11.029 -7.587 1.00 0.00 C ATOM 190 CE LYS A 432 -1.268 10.600 -6.792 1.00 0.00 C ATOM 191 NZ LYS A 432 -2.456 10.539 -7.673 1.00 0.00 N ATOM 0 H LYS A 432 3.563 10.005 -4.454 1.00 0.00 H new ATOM 0 HA LYS A 432 2.504 8.219 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 432 1.628 10.525 -5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 432 2.664 11.176 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 432 1.522 9.857 -8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 432 0.601 8.986 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 432 0.358 11.963 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 432 -0.312 11.222 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 432 -1.094 9.625 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 432 -1.447 11.303 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 432 -3.282 10.230 -7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 432 -2.640 11.481 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 432 -2.282 9.863 -8.444 1.00 0.00 H new ATOM 204 N GLY A 433 4.379 8.030 -8.006 1.00 0.00 N ATOM 205 CA GLY A 433 5.450 7.897 -8.978 1.00 0.00 C ATOM 206 C GLY A 433 4.899 7.506 -10.351 1.00 0.00 C ATOM 207 O GLY A 433 5.657 7.139 -11.247 1.00 0.00 O ATOM 0 H GLY A 433 3.754 7.226 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 433 5.995 8.838 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 433 6.161 7.144 -8.640 1.00 0.00 H new ATOM 211 N PHE A 434 3.582 7.598 -10.472 1.00 0.00 N ATOM 212 CA PHE A 434 2.921 7.258 -11.720 1.00 0.00 C ATOM 213 C PHE A 434 1.742 8.195 -11.989 1.00 0.00 C ATOM 214 O PHE A 434 1.765 8.970 -12.944 1.00 0.00 O ATOM 215 CB PHE A 434 2.396 5.828 -11.574 1.00 0.00 C ATOM 216 CG PHE A 434 3.200 4.787 -12.356 1.00 0.00 C ATOM 217 CD1 PHE A 434 4.356 4.291 -11.839 1.00 0.00 C ATOM 218 CD2 PHE A 434 2.758 4.357 -13.568 1.00 0.00 C ATOM 219 CE1 PHE A 434 5.102 3.325 -12.565 1.00 0.00 C ATOM 220 CE2 PHE A 434 3.503 3.391 -14.294 1.00 0.00 C ATOM 221 CZ PHE A 434 4.659 2.895 -13.777 1.00 0.00 C ATOM 0 H PHE A 434 2.956 7.903 -9.727 1.00 0.00 H new ATOM 0 HA PHE A 434 3.622 7.352 -12.549 1.00 0.00 H new ATOM 0 HB2 PHE A 434 2.399 5.557 -10.518 1.00 0.00 H new ATOM 0 HB3 PHE A 434 1.359 5.797 -11.908 1.00 0.00 H new ATOM 0 HD1 PHE A 434 4.707 4.632 -10.876 1.00 0.00 H new ATOM 0 HD2 PHE A 434 1.840 4.751 -13.978 1.00 0.00 H new ATOM 0 HE1 PHE A 434 6.021 2.932 -12.155 1.00 0.00 H new ATOM 0 HE2 PHE A 434 3.152 3.050 -15.257 1.00 0.00 H new ATOM 0 HZ PHE A 434 5.225 2.159 -14.329 1.00 0.00 H new ATOM 231 N ASN A 435 0.739 8.094 -11.129 1.00 0.00 N ATOM 232 CA ASN A 435 -0.447 8.923 -11.262 1.00 0.00 C ATOM 233 C ASN A 435 -1.652 8.178 -10.685 1.00 0.00 C ATOM 234 O ASN A 435 -2.485 8.773 -10.003 1.00 0.00 O ATOM 235 CB ASN A 435 -0.741 9.233 -12.731 1.00 0.00 C ATOM 236 CG ASN A 435 -0.525 7.996 -13.606 1.00 0.00 C ATOM 237 OD1 ASN A 435 -0.442 6.875 -13.131 1.00 0.00 O ATOM 238 ND2 ASN A 435 -0.438 8.261 -14.906 1.00 0.00 N ATOM 0 H ASN A 435 0.723 7.451 -10.338 1.00 0.00 H new ATOM 0 HA ASN A 435 -0.268 9.855 -10.726 1.00 0.00 H new ATOM 0 HB2 ASN A 435 -1.769 9.581 -12.834 1.00 0.00 H new ATOM 0 HB3 ASN A 435 -0.095 10.042 -13.072 1.00 0.00 H new ATOM 0 HD21 ASN A 435 -0.293 7.503 -15.573 1.00 0.00 H new ATOM 0 HD22 ASN A 435 -0.516 9.223 -15.237 1.00 0.00 H new ATOM 245 N SER A 436 -1.707 6.888 -10.981 1.00 0.00 N ATOM 246 CA SER A 436 -2.797 6.056 -10.500 1.00 0.00 C ATOM 247 C SER A 436 -2.305 4.623 -10.286 1.00 0.00 C ATOM 248 O SER A 436 -2.796 3.692 -10.923 1.00 0.00 O ATOM 249 CB SER A 436 -3.974 6.072 -11.476 1.00 0.00 C ATOM 250 OG SER A 436 -3.623 5.531 -12.747 1.00 0.00 O ATOM 0 H SER A 436 -1.015 6.398 -11.548 1.00 0.00 H new ATOM 0 HA SER A 436 -3.143 6.461 -9.549 1.00 0.00 H new ATOM 0 HB2 SER A 436 -4.801 5.501 -11.055 1.00 0.00 H new ATOM 0 HB3 SER A 436 -4.326 7.096 -11.603 1.00 0.00 H new ATOM 0 HG SER A 436 -3.289 4.617 -12.632 1.00 0.00 H new ATOM 256 N PRO A 437 -1.317 4.486 -9.362 1.00 0.00 N ATOM 257 CA PRO A 437 -0.754 3.182 -9.056 1.00 0.00 C ATOM 258 C PRO A 437 -1.716 2.357 -8.199 1.00 0.00 C ATOM 259 O PRO A 437 -2.458 2.908 -7.387 1.00 0.00 O ATOM 260 CB PRO A 437 0.563 3.477 -8.355 1.00 0.00 C ATOM 261 CG PRO A 437 0.469 4.918 -7.881 1.00 0.00 C ATOM 262 CD PRO A 437 -0.711 5.565 -8.587 1.00 0.00 C ATOM 0 HA PRO A 437 -0.589 2.575 -9.946 1.00 0.00 H new ATOM 0 HB2 PRO A 437 0.719 2.799 -7.516 1.00 0.00 H new ATOM 0 HB3 PRO A 437 1.405 3.343 -9.034 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.335 4.956 -6.800 1.00 0.00 H new ATOM 0 HG3 PRO A 437 1.390 5.455 -8.107 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -1.419 5.985 -7.872 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -0.387 6.382 -9.232 1.00 0.00 H new ATOM 270 N TYR A 438 -1.672 1.049 -8.409 1.00 0.00 N ATOM 271 CA TYR A 438 -2.531 0.143 -7.666 1.00 0.00 C ATOM 272 C TYR A 438 -1.780 -0.483 -6.489 1.00 0.00 C ATOM 273 O TYR A 438 -0.560 -0.637 -6.537 1.00 0.00 O ATOM 274 CB TYR A 438 -2.927 -0.962 -8.647 1.00 0.00 C ATOM 275 CG TYR A 438 -3.698 -0.461 -9.870 1.00 0.00 C ATOM 276 CD1 TYR A 438 -3.035 0.209 -10.878 1.00 0.00 C ATOM 277 CD2 TYR A 438 -5.058 -0.678 -9.965 1.00 0.00 C ATOM 278 CE1 TYR A 438 -3.761 0.681 -12.028 1.00 0.00 C ATOM 279 CE2 TYR A 438 -5.784 -0.207 -11.115 1.00 0.00 C ATOM 280 CZ TYR A 438 -5.100 0.450 -12.090 1.00 0.00 C ATOM 281 OH TYR A 438 -5.785 0.895 -13.177 1.00 0.00 O ATOM 0 H TYR A 438 -1.055 0.596 -9.083 1.00 0.00 H new ATOM 0 HA TYR A 438 -3.393 0.675 -7.264 1.00 0.00 H new ATOM 0 HB2 TYR A 438 -2.026 -1.475 -8.983 1.00 0.00 H new ATOM 0 HB3 TYR A 438 -3.536 -1.698 -8.123 1.00 0.00 H new ATOM 0 HD1 TYR A 438 -1.971 0.379 -10.804 1.00 0.00 H new ATOM 0 HD2 TYR A 438 -5.577 -1.201 -9.176 1.00 0.00 H new ATOM 0 HE1 TYR A 438 -3.254 1.207 -12.824 1.00 0.00 H new ATOM 0 HE2 TYR A 438 -6.848 -0.372 -11.202 1.00 0.00 H new ATOM 0 HH TYR A 438 -6.732 0.659 -13.086 1.00 0.00 H new ATOM 291 N ILE A 439 -2.540 -0.826 -5.459 1.00 0.00 N ATOM 292 CA ILE A 439 -1.961 -1.431 -4.271 1.00 0.00 C ATOM 293 C ILE A 439 -2.763 -2.680 -3.898 1.00 0.00 C ATOM 294 O ILE A 439 -3.957 -2.595 -3.619 1.00 0.00 O ATOM 295 CB ILE A 439 -1.862 -0.404 -3.141 1.00 0.00 C ATOM 296 CG1 ILE A 439 -1.222 -1.020 -1.895 1.00 0.00 C ATOM 297 CG2 ILE A 439 -3.230 0.212 -2.838 1.00 0.00 C ATOM 298 CD1 ILE A 439 -2.144 -2.066 -1.266 1.00 0.00 C ATOM 0 H ILE A 439 -3.551 -0.697 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 439 -0.939 -1.754 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 439 -1.211 0.405 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -0.271 -1.481 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 439 -1.005 -0.237 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -3.131 0.938 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -3.610 0.710 -3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -3.924 -0.573 -2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -1.666 -2.488 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -3.085 -1.596 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -2.339 -2.860 -1.987 1.00 0.00 H new ATOM 310 N HIS A 440 -2.072 -3.811 -3.907 1.00 0.00 N ATOM 311 CA HIS A 440 -2.705 -5.076 -3.574 1.00 0.00 C ATOM 312 C HIS A 440 -2.514 -5.368 -2.084 1.00 0.00 C ATOM 313 O HIS A 440 -1.387 -5.527 -1.618 1.00 0.00 O ATOM 314 CB HIS A 440 -2.180 -6.199 -4.470 1.00 0.00 C ATOM 315 CG HIS A 440 -3.029 -7.447 -4.453 1.00 0.00 C ATOM 316 ND1 HIS A 440 -4.257 -7.527 -5.086 1.00 0.00 N ATOM 317 CD2 HIS A 440 -2.815 -8.663 -3.873 1.00 0.00 C ATOM 318 CE1 HIS A 440 -4.751 -8.741 -4.890 1.00 0.00 C ATOM 319 NE2 HIS A 440 -3.856 -9.443 -4.137 1.00 0.00 N ATOM 0 H HIS A 440 -1.081 -3.878 -4.139 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.777 -5.011 -3.762 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.113 -5.831 -5.494 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -1.168 -6.456 -4.157 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -1.946 -8.944 -3.297 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -5.696 -9.110 -5.261 1.00 0.00 H new ATOM 0 HE2 HIS A 440 -3.968 -10.408 -3.828 1.00 0.00 H new ATOM 327 N TYR A 441 -3.634 -5.431 -1.378 1.00 0.00 N ATOM 328 CA TYR A 441 -3.604 -5.701 0.050 1.00 0.00 C ATOM 329 C TYR A 441 -4.610 -6.792 0.422 1.00 0.00 C ATOM 330 O TYR A 441 -5.622 -6.966 -0.255 1.00 0.00 O ATOM 331 CB TYR A 441 -4.010 -4.394 0.735 1.00 0.00 C ATOM 332 CG TYR A 441 -5.468 -3.995 0.498 1.00 0.00 C ATOM 333 CD1 TYR A 441 -6.486 -4.728 1.073 1.00 0.00 C ATOM 334 CD2 TYR A 441 -5.764 -2.901 -0.289 1.00 0.00 C ATOM 335 CE1 TYR A 441 -7.858 -4.351 0.851 1.00 0.00 C ATOM 336 CE2 TYR A 441 -7.136 -2.525 -0.512 1.00 0.00 C ATOM 337 CZ TYR A 441 -8.115 -3.268 0.069 1.00 0.00 C ATOM 338 OH TYR A 441 -9.411 -2.913 -0.141 1.00 0.00 O ATOM 0 H TYR A 441 -4.567 -5.300 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 441 -2.615 -6.043 0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -3.840 -4.489 1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -3.362 -3.593 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 441 -6.254 -5.584 1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 441 -4.967 -2.327 -0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 441 -8.665 -4.915 1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 441 -7.382 -1.672 -1.127 1.00 0.00 H new ATOM 0 HH TYR A 441 -9.444 -2.121 -0.717 1.00 0.00 H new ATOM 348 N ARG A 442 -4.296 -7.499 1.498 1.00 0.00 N ATOM 349 CA ARG A 442 -5.160 -8.568 1.968 1.00 0.00 C ATOM 350 C ARG A 442 -5.039 -8.719 3.486 1.00 0.00 C ATOM 351 O ARG A 442 -3.937 -8.857 4.015 1.00 0.00 O ATOM 352 CB ARG A 442 -4.803 -9.898 1.301 1.00 0.00 C ATOM 353 CG ARG A 442 -5.375 -11.078 2.090 1.00 0.00 C ATOM 354 CD ARG A 442 -5.010 -12.408 1.427 1.00 0.00 C ATOM 355 NE ARG A 442 -4.164 -13.212 2.338 1.00 0.00 N ATOM 356 CZ ARG A 442 -3.575 -14.377 1.994 1.00 0.00 C ATOM 357 NH1 ARG A 442 -3.735 -14.884 0.753 1.00 0.00 N ATOM 358 NH2 ARG A 442 -2.841 -15.012 2.888 1.00 0.00 N ATOM 0 H ARG A 442 -3.456 -7.352 2.057 1.00 0.00 H new ATOM 0 HA ARG A 442 -6.185 -8.306 1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.192 -9.914 0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -3.720 -9.994 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -4.991 -11.058 3.110 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.459 -10.985 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -5.916 -12.960 1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -4.480 -12.225 0.492 1.00 0.00 H new ATOM 0 HE ARG A 442 -4.017 -12.864 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -4.304 -14.386 0.068 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -3.287 -15.765 0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -2.725 -14.622 3.823 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -2.389 -15.893 2.644 1.00 0.00 H new ATOM 371 N PRO A 443 -6.219 -8.686 4.162 1.00 0.00 N ATOM 372 CA PRO A 443 -6.256 -8.817 5.609 1.00 0.00 C ATOM 373 C PRO A 443 -6.013 -10.266 6.035 1.00 0.00 C ATOM 374 O PRO A 443 -6.615 -11.188 5.486 1.00 0.00 O ATOM 375 CB PRO A 443 -7.627 -8.301 6.015 1.00 0.00 C ATOM 376 CG PRO A 443 -8.476 -8.336 4.755 1.00 0.00 C ATOM 377 CD PRO A 443 -7.543 -8.524 3.570 1.00 0.00 C ATOM 0 HA PRO A 443 -5.468 -8.249 6.103 1.00 0.00 H new ATOM 0 HB2 PRO A 443 -8.063 -8.923 6.797 1.00 0.00 H new ATOM 0 HB3 PRO A 443 -7.561 -7.289 6.413 1.00 0.00 H new ATOM 0 HG2 PRO A 443 -9.199 -9.150 4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 443 -9.044 -7.411 4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 443 -7.823 -9.397 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 443 -7.575 -7.664 2.901 1.00 0.00 H new ATOM 385 N ALA A 444 -5.129 -10.423 7.009 1.00 0.00 N ATOM 386 CA ALA A 444 -4.798 -11.744 7.514 1.00 0.00 C ATOM 387 C ALA A 444 -6.080 -12.454 7.953 1.00 0.00 C ATOM 388 O ALA A 444 -6.573 -12.226 9.057 1.00 0.00 O ATOM 389 CB ALA A 444 -3.783 -11.617 8.653 1.00 0.00 C ATOM 0 H ALA A 444 -4.632 -9.656 7.462 1.00 0.00 H new ATOM 0 HA ALA A 444 -4.337 -12.348 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 444 -3.535 -12.609 9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 444 -2.879 -11.133 8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 444 -4.211 -11.018 9.457 1.00 0.00 H new ATOM 395 N GLY A 445 -6.584 -13.299 7.067 1.00 0.00 N ATOM 396 CA GLY A 445 -7.800 -14.043 7.349 1.00 0.00 C ATOM 397 C GLY A 445 -8.909 -13.677 6.360 1.00 0.00 C ATOM 398 O GLY A 445 -9.994 -14.255 6.397 1.00 0.00 O ATOM 0 H GLY A 445 -6.173 -13.485 6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.597 -15.113 7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -8.131 -13.833 8.366 1.00 0.00 H new ATOM 402 N GLY A 446 -8.597 -12.720 5.498 1.00 0.00 N ATOM 403 CA GLY A 446 -9.553 -12.270 4.501 1.00 0.00 C ATOM 404 C GLY A 446 -9.147 -12.737 3.102 1.00 0.00 C ATOM 405 O GLY A 446 -8.589 -13.822 2.944 1.00 0.00 O ATOM 0 H GLY A 446 -7.695 -12.244 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -10.544 -12.654 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -9.619 -11.182 4.520 1.00 0.00 H new ATOM 409 N SER A 447 -9.443 -11.895 2.123 1.00 0.00 N ATOM 410 CA SER A 447 -9.117 -12.208 0.742 1.00 0.00 C ATOM 411 C SER A 447 -8.262 -11.091 0.140 1.00 0.00 C ATOM 412 O SER A 447 -7.937 -10.119 0.820 1.00 0.00 O ATOM 413 CB SER A 447 -10.384 -12.415 -0.090 1.00 0.00 C ATOM 414 OG SER A 447 -10.111 -12.407 -1.489 1.00 0.00 O ATOM 0 H SER A 447 -9.905 -10.996 2.259 1.00 0.00 H new ATOM 0 HA SER A 447 -8.550 -13.139 0.727 1.00 0.00 H new ATOM 0 HB2 SER A 447 -10.847 -13.363 0.184 1.00 0.00 H new ATOM 0 HB3 SER A 447 -11.103 -11.630 0.144 1.00 0.00 H new ATOM 0 HG SER A 447 -10.945 -12.544 -1.986 1.00 0.00 H new ATOM 420 N TRP A 448 -7.924 -11.267 -1.129 1.00 0.00 N ATOM 421 CA TRP A 448 -7.113 -10.286 -1.830 1.00 0.00 C ATOM 422 C TRP A 448 -8.057 -9.290 -2.507 1.00 0.00 C ATOM 423 O TRP A 448 -9.266 -9.510 -2.556 1.00 0.00 O ATOM 424 CB TRP A 448 -6.156 -10.965 -2.811 1.00 0.00 C ATOM 425 CG TRP A 448 -4.901 -11.545 -2.156 1.00 0.00 C ATOM 426 CD1 TRP A 448 -4.573 -12.835 -1.998 1.00 0.00 C ATOM 427 CD2 TRP A 448 -3.812 -10.798 -1.574 1.00 0.00 C ATOM 428 NE1 TRP A 448 -3.358 -12.973 -1.359 1.00 0.00 N ATOM 429 CE2 TRP A 448 -2.880 -11.695 -1.093 1.00 0.00 C ATOM 430 CE3 TRP A 448 -3.621 -9.410 -1.457 1.00 0.00 C ATOM 431 CZ2 TRP A 448 -1.693 -11.303 -0.463 1.00 0.00 C ATOM 432 CZ3 TRP A 448 -2.429 -9.035 -0.825 1.00 0.00 C ATOM 433 CH2 TRP A 448 -1.481 -9.925 -0.336 1.00 0.00 C ATOM 0 H TRP A 448 -8.197 -12.074 -1.690 1.00 0.00 H new ATOM 0 HA TRP A 448 -6.476 -9.743 -1.132 1.00 0.00 H new ATOM 0 HB2 TRP A 448 -6.687 -11.765 -3.326 1.00 0.00 H new ATOM 0 HB3 TRP A 448 -5.856 -10.242 -3.570 1.00 0.00 H new ATOM 0 HD1 TRP A 448 -5.183 -13.662 -2.329 1.00 0.00 H new ATOM 0 HE1 TRP A 448 -2.895 -13.851 -1.125 1.00 0.00 H new ATOM 0 HE3 TRP A 448 -4.337 -8.690 -1.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 -0.979 -12.025 -0.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 -2.233 -7.979 -0.710 1.00 0.00 H new ATOM 0 HH2 TRP A 448 -0.585 -9.556 0.140 1.00 0.00 H new ATOM 444 N THR A 449 -7.469 -8.216 -3.014 1.00 0.00 N ATOM 445 CA THR A 449 -8.242 -7.186 -3.686 1.00 0.00 C ATOM 446 C THR A 449 -8.329 -7.478 -5.186 1.00 0.00 C ATOM 447 O THR A 449 -7.741 -8.444 -5.669 1.00 0.00 O ATOM 448 CB THR A 449 -7.605 -5.833 -3.366 1.00 0.00 C ATOM 449 OG1 THR A 449 -6.228 -6.137 -3.159 1.00 0.00 O ATOM 450 CG2 THR A 449 -8.069 -5.270 -2.021 1.00 0.00 C ATOM 0 H THR A 449 -6.466 -8.037 -2.973 1.00 0.00 H new ATOM 0 HA THR A 449 -9.272 -7.169 -3.330 1.00 0.00 H new ATOM 0 HB THR A 449 -7.844 -5.123 -4.158 1.00 0.00 H new ATOM 0 HG1 THR A 449 -5.872 -6.597 -3.948 1.00 0.00 H new ATOM 0 HG21 THR A 449 -7.587 -4.309 -1.843 1.00 0.00 H new ATOM 0 HG22 THR A 449 -9.151 -5.136 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 449 -7.801 -5.964 -1.224 1.00 0.00 H new ATOM 458 N ALA A 450 -9.068 -6.625 -5.880 1.00 0.00 N ATOM 459 CA ALA A 450 -9.240 -6.780 -7.314 1.00 0.00 C ATOM 460 C ALA A 450 -7.947 -6.374 -8.025 1.00 0.00 C ATOM 461 O ALA A 450 -7.735 -5.197 -8.313 1.00 0.00 O ATOM 462 CB ALA A 450 -10.442 -5.954 -7.776 1.00 0.00 C ATOM 0 H ALA A 450 -9.554 -5.825 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 450 -9.443 -7.821 -7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 450 -10.571 -6.070 -8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 450 -11.340 -6.300 -7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 450 -10.273 -4.903 -7.542 1.00 0.00 H new ATOM 468 N ALA A 451 -7.116 -7.372 -8.288 1.00 0.00 N ATOM 469 CA ALA A 451 -5.849 -7.134 -8.959 1.00 0.00 C ATOM 470 C ALA A 451 -6.103 -6.381 -10.266 1.00 0.00 C ATOM 471 O ALA A 451 -6.978 -6.758 -11.045 1.00 0.00 O ATOM 472 CB ALA A 451 -5.132 -8.467 -9.184 1.00 0.00 C ATOM 0 H ALA A 451 -7.295 -8.347 -8.049 1.00 0.00 H new ATOM 0 HA ALA A 451 -5.198 -6.514 -8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 451 -4.182 -8.289 -9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 451 -4.949 -8.948 -8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 451 -5.754 -9.115 -9.802 1.00 0.00 H new ATOM 478 N PRO A 452 -5.302 -5.301 -10.473 1.00 0.00 N ATOM 479 CA PRO A 452 -4.291 -4.923 -9.501 1.00 0.00 C ATOM 480 C PRO A 452 -4.927 -4.260 -8.278 1.00 0.00 C ATOM 481 O PRO A 452 -5.605 -3.241 -8.401 1.00 0.00 O ATOM 482 CB PRO A 452 -3.347 -3.999 -10.254 1.00 0.00 C ATOM 483 CG PRO A 452 -4.116 -3.525 -11.477 1.00 0.00 C ATOM 484 CD PRO A 452 -5.338 -4.416 -11.633 1.00 0.00 C ATOM 0 HA PRO A 452 -3.752 -5.781 -9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -3.046 -3.157 -9.631 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -2.436 -4.523 -10.544 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -4.415 -2.483 -11.360 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -3.489 -3.578 -12.367 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -6.256 -3.829 -11.655 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -5.299 -4.982 -12.564 1.00 0.00 H new ATOM 492 N GLY A 453 -4.686 -4.865 -7.124 1.00 0.00 N ATOM 493 CA GLY A 453 -5.227 -4.347 -5.879 1.00 0.00 C ATOM 494 C GLY A 453 -6.256 -3.246 -6.145 1.00 0.00 C ATOM 495 O GLY A 453 -7.204 -3.447 -6.903 1.00 0.00 O ATOM 0 H GLY A 453 -4.123 -5.710 -7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -5.692 -5.156 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -4.419 -3.953 -5.263 1.00 0.00 H new ATOM 499 N VAL A 454 -6.034 -2.106 -5.507 1.00 0.00 N ATOM 500 CA VAL A 454 -6.930 -0.973 -5.665 1.00 0.00 C ATOM 501 C VAL A 454 -6.105 0.296 -5.893 1.00 0.00 C ATOM 502 O VAL A 454 -5.116 0.531 -5.200 1.00 0.00 O ATOM 503 CB VAL A 454 -7.862 -0.871 -4.456 1.00 0.00 C ATOM 504 CG1 VAL A 454 -7.100 -0.405 -3.214 1.00 0.00 C ATOM 505 CG2 VAL A 454 -9.045 0.054 -4.753 1.00 0.00 C ATOM 0 H VAL A 454 -5.247 -1.943 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.567 -1.108 -6.539 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.257 -1.866 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.786 -0.341 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.307 -1.117 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.663 0.576 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -9.692 0.109 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.676 1.051 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.610 -0.338 -5.598 1.00 0.00 H new ATOM 515 N LYS A 455 -6.543 1.081 -6.867 1.00 0.00 N ATOM 516 CA LYS A 455 -5.858 2.319 -7.195 1.00 0.00 C ATOM 517 C LYS A 455 -5.806 3.212 -5.954 1.00 0.00 C ATOM 518 O LYS A 455 -6.814 3.799 -5.564 1.00 0.00 O ATOM 519 CB LYS A 455 -6.510 2.988 -8.407 1.00 0.00 C ATOM 520 CG LYS A 455 -5.818 4.311 -8.742 1.00 0.00 C ATOM 521 CD LYS A 455 -6.772 5.259 -9.471 1.00 0.00 C ATOM 522 CE LYS A 455 -6.343 6.716 -9.287 1.00 0.00 C ATOM 523 NZ LYS A 455 -7.528 7.600 -9.210 1.00 0.00 N ATOM 0 H LYS A 455 -7.364 0.883 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 455 -4.827 2.118 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -6.460 2.320 -9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -7.566 3.167 -8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -5.462 4.782 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -4.943 4.121 -9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -6.793 5.014 -10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -7.785 5.124 -9.092 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -5.749 6.814 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -5.707 7.022 -10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -7.219 8.585 -9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -8.079 7.519 -10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -8.120 7.318 -8.403 1.00 0.00 H new ATOM 536 N MET A 456 -4.619 3.288 -5.368 1.00 0.00 N ATOM 537 CA MET A 456 -4.423 4.099 -4.179 1.00 0.00 C ATOM 538 C MET A 456 -4.993 5.506 -4.374 1.00 0.00 C ATOM 539 O MET A 456 -4.701 6.165 -5.370 1.00 0.00 O ATOM 540 CB MET A 456 -2.928 4.194 -3.866 1.00 0.00 C ATOM 541 CG MET A 456 -2.514 3.135 -2.842 1.00 0.00 C ATOM 542 SD MET A 456 -1.559 3.890 -1.536 1.00 0.00 S ATOM 543 CE MET A 456 -0.274 2.666 -1.345 1.00 0.00 C ATOM 0 H MET A 456 -3.784 2.801 -5.695 1.00 0.00 H new ATOM 0 HA MET A 456 -4.948 3.626 -3.349 1.00 0.00 H new ATOM 0 HB2 MET A 456 -2.352 4.064 -4.782 1.00 0.00 H new ATOM 0 HB3 MET A 456 -2.696 5.187 -3.482 1.00 0.00 H new ATOM 0 HG2 MET A 456 -3.399 2.654 -2.425 1.00 0.00 H new ATOM 0 HG3 MET A 456 -1.928 2.356 -3.329 1.00 0.00 H new ATOM 0 HE1 MET A 456 0.464 3.022 -0.626 1.00 0.00 H new ATOM 0 HE2 MET A 456 -0.710 1.734 -0.986 1.00 0.00 H new ATOM 0 HE3 MET A 456 0.210 2.493 -2.306 1.00 0.00 H new ATOM 553 N GLN A 457 -5.797 5.923 -3.407 1.00 0.00 N ATOM 554 CA GLN A 457 -6.411 7.239 -3.460 1.00 0.00 C ATOM 555 C GLN A 457 -5.340 8.319 -3.624 1.00 0.00 C ATOM 556 O GLN A 457 -4.146 8.023 -3.596 1.00 0.00 O ATOM 557 CB GLN A 457 -7.263 7.497 -2.216 1.00 0.00 C ATOM 558 CG GLN A 457 -8.269 6.365 -1.996 1.00 0.00 C ATOM 559 CD GLN A 457 -9.216 6.690 -0.839 1.00 0.00 C ATOM 560 OE1 GLN A 457 -8.806 7.086 0.240 1.00 0.00 O ATOM 561 NE2 GLN A 457 -10.502 6.501 -1.122 1.00 0.00 N ATOM 0 H GLN A 457 -6.037 5.373 -2.582 1.00 0.00 H new ATOM 0 HA GLN A 457 -7.071 7.275 -4.327 1.00 0.00 H new ATOM 0 HB2 GLN A 457 -6.618 7.590 -1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 457 -7.793 8.443 -2.324 1.00 0.00 H new ATOM 0 HG2 GLN A 457 -8.845 6.203 -2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 457 -7.737 5.437 -1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 457 -10.777 6.167 -2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 457 -11.213 6.690 -0.415 1.00 0.00 H new ATOM 570 N ASP A 458 -5.805 9.548 -3.792 1.00 0.00 N ATOM 571 CA ASP A 458 -4.902 10.673 -3.961 1.00 0.00 C ATOM 572 C ASP A 458 -4.469 11.186 -2.586 1.00 0.00 C ATOM 573 O ASP A 458 -5.295 11.328 -1.685 1.00 0.00 O ATOM 574 CB ASP A 458 -5.588 11.824 -4.701 1.00 0.00 C ATOM 575 CG ASP A 458 -6.871 11.443 -5.442 1.00 0.00 C ATOM 576 OD1 ASP A 458 -7.853 10.996 -4.831 1.00 0.00 O ATOM 577 OD2 ASP A 458 -6.837 11.623 -6.719 1.00 0.00 O ATOM 0 H ASP A 458 -6.796 9.789 -3.815 1.00 0.00 H new ATOM 0 HA ASP A 458 -4.044 10.332 -4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 458 -5.821 12.610 -3.983 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -4.884 12.246 -5.418 1.00 0.00 H new ATOM 583 N ALA A 459 -3.176 11.449 -2.468 1.00 0.00 N ATOM 584 CA ALA A 459 -2.624 11.943 -1.218 1.00 0.00 C ATOM 585 C ALA A 459 -2.165 13.390 -1.404 1.00 0.00 C ATOM 586 O ALA A 459 -1.209 13.653 -2.132 1.00 0.00 O ATOM 587 CB ALA A 459 -1.488 11.025 -0.764 1.00 0.00 C ATOM 0 H ALA A 459 -2.495 11.329 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 459 -3.382 11.936 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -1.074 11.395 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 459 -1.872 10.016 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 459 -0.707 11.009 -1.524 1.00 0.00 H new ATOM 593 N GLU A 460 -2.868 14.291 -0.733 1.00 0.00 N ATOM 594 CA GLU A 460 -2.545 15.705 -0.816 1.00 0.00 C ATOM 595 C GLU A 460 -1.168 15.972 -0.206 1.00 0.00 C ATOM 596 O GLU A 460 -0.544 16.992 -0.494 1.00 0.00 O ATOM 597 CB GLU A 460 -3.620 16.554 -0.135 1.00 0.00 C ATOM 598 CG GLU A 460 -3.526 16.439 1.388 1.00 0.00 C ATOM 599 CD GLU A 460 -4.666 17.201 2.067 1.00 0.00 C ATOM 600 OE1 GLU A 460 -5.669 16.590 2.467 1.00 0.00 O ATOM 601 OE2 GLU A 460 -4.484 18.473 2.175 1.00 0.00 O ATOM 0 H GLU A 460 -3.660 14.069 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 460 -2.516 15.990 -1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.507 17.597 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.607 16.233 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.561 15.389 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.568 16.833 1.728 1.00 0.00 H new ATOM 609 N ILE A 461 -0.733 15.036 0.626 1.00 0.00 N ATOM 610 CA ILE A 461 0.559 15.157 1.279 1.00 0.00 C ATOM 611 C ILE A 461 1.496 15.986 0.398 1.00 0.00 C ATOM 612 O ILE A 461 2.169 16.893 0.883 1.00 0.00 O ATOM 613 CB ILE A 461 1.111 13.776 1.635 1.00 0.00 C ATOM 614 CG1 ILE A 461 0.647 13.342 3.028 1.00 0.00 C ATOM 615 CG2 ILE A 461 2.635 13.743 1.502 1.00 0.00 C ATOM 616 CD1 ILE A 461 0.003 11.955 2.984 1.00 0.00 C ATOM 0 H ILE A 461 -1.253 14.191 0.862 1.00 0.00 H new ATOM 0 HA ILE A 461 0.459 15.688 2.226 1.00 0.00 H new ATOM 0 HB ILE A 461 0.710 13.054 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 461 1.496 13.331 3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 461 -0.067 14.066 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 461 3.001 12.750 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 461 2.916 13.977 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 461 3.075 14.479 2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 461 -0.318 11.671 3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 461 -0.860 11.976 2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 461 0.728 11.229 2.615 1.00 0.00 H new ATOM 628 N SER A 462 1.509 15.643 -0.882 1.00 0.00 N ATOM 629 CA SER A 462 2.352 16.343 -1.836 1.00 0.00 C ATOM 630 C SER A 462 2.678 15.428 -3.017 1.00 0.00 C ATOM 631 O SER A 462 3.846 15.160 -3.296 1.00 0.00 O ATOM 632 CB SER A 462 3.641 16.835 -1.174 1.00 0.00 C ATOM 633 OG SER A 462 3.526 18.178 -0.713 1.00 0.00 O ATOM 0 H SER A 462 0.949 14.889 -1.280 1.00 0.00 H new ATOM 0 HA SER A 462 1.807 17.214 -2.200 1.00 0.00 H new ATOM 0 HB2 SER A 462 3.889 16.184 -0.336 1.00 0.00 H new ATOM 0 HB3 SER A 462 4.463 16.765 -1.886 1.00 0.00 H new ATOM 0 HG SER A 462 2.892 18.214 0.033 1.00 0.00 H new ATOM 639 N GLY A 463 1.625 14.973 -3.680 1.00 0.00 N ATOM 640 CA GLY A 463 1.784 14.093 -4.825 1.00 0.00 C ATOM 641 C GLY A 463 2.038 12.652 -4.378 1.00 0.00 C ATOM 642 O GLY A 463 3.002 12.024 -4.812 1.00 0.00 O ATOM 0 H GLY A 463 0.658 15.197 -3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 463 0.889 14.133 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 463 2.614 14.438 -5.441 1.00 0.00 H new ATOM 646 N TYR A 464 1.156 12.170 -3.515 1.00 0.00 N ATOM 647 CA TYR A 464 1.272 10.815 -3.003 1.00 0.00 C ATOM 648 C TYR A 464 -0.054 10.063 -3.135 1.00 0.00 C ATOM 649 O TYR A 464 -1.010 10.580 -3.711 1.00 0.00 O ATOM 650 CB TYR A 464 1.621 10.952 -1.520 1.00 0.00 C ATOM 651 CG TYR A 464 3.118 10.847 -1.221 1.00 0.00 C ATOM 652 CD1 TYR A 464 4.002 11.733 -1.803 1.00 0.00 C ATOM 653 CD2 TYR A 464 3.584 9.866 -0.369 1.00 0.00 C ATOM 654 CE1 TYR A 464 5.411 11.633 -1.521 1.00 0.00 C ATOM 655 CE2 TYR A 464 4.993 9.767 -0.088 1.00 0.00 C ATOM 656 CZ TYR A 464 5.837 10.655 -0.678 1.00 0.00 C ATOM 657 OH TYR A 464 7.167 10.562 -0.412 1.00 0.00 O ATOM 0 H TYR A 464 0.357 12.694 -3.157 1.00 0.00 H new ATOM 0 HA TYR A 464 2.026 10.258 -3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 464 1.255 11.913 -1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 464 1.094 10.179 -0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 464 3.637 12.501 -2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 464 2.892 9.173 0.087 1.00 0.00 H new ATOM 0 HE1 TYR A 464 6.114 12.320 -1.969 1.00 0.00 H new ATOM 0 HE2 TYR A 464 5.371 9.004 0.577 1.00 0.00 H new ATOM 0 HH TYR A 464 7.326 9.819 0.206 1.00 0.00 H new ATOM 667 N ALA A 465 -0.069 8.854 -2.592 1.00 0.00 N ATOM 668 CA ALA A 465 -1.261 8.026 -2.642 1.00 0.00 C ATOM 669 C ALA A 465 -1.614 7.561 -1.228 1.00 0.00 C ATOM 670 O ALA A 465 -0.733 7.404 -0.384 1.00 0.00 O ATOM 671 CB ALA A 465 -1.031 6.856 -3.600 1.00 0.00 C ATOM 0 H ALA A 465 0.726 8.429 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 465 -2.108 8.597 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -1.926 6.235 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -0.814 7.239 -4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -0.189 6.259 -3.250 1.00 0.00 H new ATOM 677 N LYS A 466 -2.905 7.354 -1.012 1.00 0.00 N ATOM 678 CA LYS A 466 -3.385 6.910 0.286 1.00 0.00 C ATOM 679 C LYS A 466 -4.316 5.711 0.098 1.00 0.00 C ATOM 680 O LYS A 466 -5.023 5.620 -0.904 1.00 0.00 O ATOM 681 CB LYS A 466 -4.025 8.073 1.046 1.00 0.00 C ATOM 682 CG LYS A 466 -2.985 9.138 1.398 1.00 0.00 C ATOM 683 CD LYS A 466 -3.646 10.500 1.619 1.00 0.00 C ATOM 684 CE LYS A 466 -4.404 10.533 2.947 1.00 0.00 C ATOM 685 NZ LYS A 466 -4.848 11.910 3.257 1.00 0.00 N ATOM 0 H LYS A 466 -3.633 7.486 -1.714 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.554 6.574 0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.815 8.517 0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.494 7.702 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.446 8.841 2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.250 9.212 0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.887 11.282 1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -4.332 10.712 0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -5.267 9.869 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.763 10.162 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.361 11.914 4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -4.019 12.535 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.476 12.251 2.501 1.00 0.00 H new ATOM 698 N ILE A 467 -4.285 4.819 1.078 1.00 0.00 N ATOM 699 CA ILE A 467 -5.117 3.629 1.033 1.00 0.00 C ATOM 700 C ILE A 467 -5.450 3.190 2.460 1.00 0.00 C ATOM 701 O ILE A 467 -4.560 3.071 3.300 1.00 0.00 O ATOM 702 CB ILE A 467 -4.447 2.538 0.194 1.00 0.00 C ATOM 703 CG1 ILE A 467 -5.486 1.736 -0.592 1.00 0.00 C ATOM 704 CG2 ILE A 467 -3.568 1.639 1.066 1.00 0.00 C ATOM 705 CD1 ILE A 467 -6.229 2.629 -1.588 1.00 0.00 C ATOM 0 H ILE A 467 -3.697 4.897 1.908 1.00 0.00 H new ATOM 0 HA ILE A 467 -6.063 3.845 0.537 1.00 0.00 H new ATOM 0 HB ILE A 467 -3.794 3.019 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -4.995 0.921 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -6.198 1.283 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -3.104 0.872 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -2.793 2.239 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -4.181 1.164 1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -6.962 2.034 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -6.739 3.428 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -5.517 3.061 -2.291 1.00 0.00 H new ATOM 717 N THR A 468 -6.735 2.962 2.690 1.00 0.00 N ATOM 718 CA THR A 468 -7.196 2.539 4.002 1.00 0.00 C ATOM 719 C THR A 468 -8.027 1.259 3.888 1.00 0.00 C ATOM 720 O THR A 468 -9.028 1.226 3.175 1.00 0.00 O ATOM 721 CB THR A 468 -7.960 3.705 4.633 1.00 0.00 C ATOM 722 OG1 THR A 468 -7.250 4.861 4.198 1.00 0.00 O ATOM 723 CG2 THR A 468 -7.826 3.737 6.157 1.00 0.00 C ATOM 0 H THR A 468 -7.471 3.062 1.991 1.00 0.00 H new ATOM 0 HA THR A 468 -6.359 2.289 4.654 1.00 0.00 H new ATOM 0 HB THR A 468 -9.014 3.637 4.363 1.00 0.00 H new ATOM 0 HG1 THR A 468 -7.679 5.664 4.560 1.00 0.00 H new ATOM 0 HG21 THR A 468 -8.387 4.583 6.554 1.00 0.00 H new ATOM 0 HG22 THR A 468 -8.220 2.812 6.576 1.00 0.00 H new ATOM 0 HG23 THR A 468 -6.775 3.839 6.428 1.00 0.00 H new ATOM 731 N VAL A 469 -7.579 0.236 4.602 1.00 0.00 N ATOM 732 CA VAL A 469 -8.269 -1.043 4.590 1.00 0.00 C ATOM 733 C VAL A 469 -8.439 -1.539 6.027 1.00 0.00 C ATOM 734 O VAL A 469 -7.501 -1.488 6.820 1.00 0.00 O ATOM 735 CB VAL A 469 -7.516 -2.034 3.700 1.00 0.00 C ATOM 736 CG1 VAL A 469 -8.403 -3.227 3.335 1.00 0.00 C ATOM 737 CG2 VAL A 469 -6.978 -1.346 2.444 1.00 0.00 C ATOM 0 H VAL A 469 -6.747 0.267 5.192 1.00 0.00 H new ATOM 0 HA VAL A 469 -9.266 -0.936 4.163 1.00 0.00 H new ATOM 0 HB VAL A 469 -6.664 -2.411 4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 469 -7.844 -3.916 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 469 -8.714 -3.741 4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 469 -9.284 -2.875 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 469 -6.447 -2.073 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 469 -7.808 -0.927 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 469 -6.295 -0.547 2.731 1.00 0.00 H new ATOM 747 N ASP A 470 -9.644 -2.007 6.318 1.00 0.00 N ATOM 748 CA ASP A 470 -9.950 -2.512 7.646 1.00 0.00 C ATOM 749 C ASP A 470 -9.508 -3.973 7.746 1.00 0.00 C ATOM 750 O ASP A 470 -9.589 -4.718 6.771 1.00 0.00 O ATOM 751 CB ASP A 470 -11.453 -2.453 7.925 1.00 0.00 C ATOM 752 CG ASP A 470 -11.906 -3.187 9.188 1.00 0.00 C ATOM 753 OD1 ASP A 470 -12.301 -2.562 10.184 1.00 0.00 O ATOM 754 OD2 ASP A 470 -11.840 -4.474 9.123 1.00 0.00 O ATOM 0 H ASP A 470 -10.420 -2.047 5.657 1.00 0.00 H new ATOM 0 HA ASP A 470 -9.424 -1.892 8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -11.752 -1.408 8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -11.983 -2.872 7.070 1.00 0.00 H new ATOM 760 N ILE A 471 -9.049 -4.339 8.934 1.00 0.00 N ATOM 761 CA ILE A 471 -8.593 -5.698 9.174 1.00 0.00 C ATOM 762 C ILE A 471 -9.370 -6.291 10.351 1.00 0.00 C ATOM 763 O ILE A 471 -9.709 -7.474 10.342 1.00 0.00 O ATOM 764 CB ILE A 471 -7.075 -5.728 9.361 1.00 0.00 C ATOM 765 CG1 ILE A 471 -6.666 -4.999 10.643 1.00 0.00 C ATOM 766 CG2 ILE A 471 -6.359 -5.169 8.130 1.00 0.00 C ATOM 767 CD1 ILE A 471 -5.176 -5.193 10.932 1.00 0.00 C ATOM 0 H ILE A 471 -8.983 -3.718 9.741 1.00 0.00 H new ATOM 0 HA ILE A 471 -8.797 -6.327 8.308 1.00 0.00 H new ATOM 0 HB ILE A 471 -6.765 -6.767 9.469 1.00 0.00 H new ATOM 0 HG12 ILE A 471 -6.886 -3.936 10.547 1.00 0.00 H new ATOM 0 HG13 ILE A 471 -7.254 -5.372 11.481 1.00 0.00 H new ATOM 0 HG21 ILE A 471 -5.281 -5.202 8.290 1.00 0.00 H new ATOM 0 HG22 ILE A 471 -6.615 -5.769 7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 471 -6.670 -4.137 7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 471 -4.911 -4.665 11.848 1.00 0.00 H new ATOM 0 HD12 ILE A 471 -4.964 -6.255 11.051 1.00 0.00 H new ATOM 0 HD13 ILE A 471 -4.590 -4.797 10.103 1.00 0.00 H new ATOM 779 N GLY A 472 -9.631 -5.443 11.335 1.00 0.00 N ATOM 780 CA GLY A 472 -10.361 -5.869 12.516 1.00 0.00 C ATOM 781 C GLY A 472 -9.994 -7.304 12.900 1.00 0.00 C ATOM 782 O GLY A 472 -9.020 -7.528 13.618 1.00 0.00 O ATOM 0 H GLY A 472 -9.350 -4.463 11.338 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -10.139 -5.199 13.346 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -11.433 -5.802 12.329 1.00 0.00 H new ATOM 786 N SER A 473 -10.792 -8.238 12.405 1.00 0.00 N ATOM 787 CA SER A 473 -10.563 -9.645 12.688 1.00 0.00 C ATOM 788 C SER A 473 -9.117 -10.017 12.354 1.00 0.00 C ATOM 789 O SER A 473 -8.635 -11.074 12.759 1.00 0.00 O ATOM 790 CB SER A 473 -11.534 -10.530 11.904 1.00 0.00 C ATOM 791 OG SER A 473 -12.421 -11.241 12.763 1.00 0.00 O ATOM 0 H SER A 473 -11.598 -8.048 11.810 1.00 0.00 H new ATOM 0 HA SER A 473 -10.739 -9.813 13.751 1.00 0.00 H new ATOM 0 HB2 SER A 473 -12.112 -9.913 11.216 1.00 0.00 H new ATOM 0 HB3 SER A 473 -10.970 -11.239 11.298 1.00 0.00 H new ATOM 0 HG SER A 473 -13.026 -11.793 12.224 1.00 0.00 H new ATOM 797 N ALA A 474 -8.465 -9.128 11.619 1.00 0.00 N ATOM 798 CA ALA A 474 -7.084 -9.350 11.226 1.00 0.00 C ATOM 799 C ALA A 474 -6.172 -8.436 12.045 1.00 0.00 C ATOM 800 O ALA A 474 -6.383 -7.226 12.097 1.00 0.00 O ATOM 801 CB ALA A 474 -6.939 -9.121 9.720 1.00 0.00 C ATOM 0 H ALA A 474 -8.868 -8.252 11.285 1.00 0.00 H new ATOM 0 HA ALA A 474 -6.788 -10.379 11.430 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -5.903 -9.287 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -7.585 -9.815 9.183 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -7.225 -8.097 9.478 1.00 0.00 H new ATOM 807 N SER A 475 -5.176 -9.051 12.667 1.00 0.00 N ATOM 808 CA SER A 475 -4.230 -8.308 13.482 1.00 0.00 C ATOM 809 C SER A 475 -3.173 -7.652 12.591 1.00 0.00 C ATOM 810 O SER A 475 -2.393 -6.822 13.055 1.00 0.00 O ATOM 811 CB SER A 475 -3.562 -9.216 14.517 1.00 0.00 C ATOM 812 OG SER A 475 -4.030 -8.954 15.837 1.00 0.00 O ATOM 0 H SER A 475 -5.004 -10.055 12.623 1.00 0.00 H new ATOM 0 HA SER A 475 -4.777 -7.532 14.018 1.00 0.00 H new ATOM 0 HB2 SER A 475 -3.756 -10.258 14.264 1.00 0.00 H new ATOM 0 HB3 SER A 475 -2.482 -9.074 14.480 1.00 0.00 H new ATOM 0 HG SER A 475 -3.582 -9.555 16.468 1.00 0.00 H new ATOM 818 N GLN A 476 -3.182 -8.048 11.327 1.00 0.00 N ATOM 819 CA GLN A 476 -2.234 -7.509 10.367 1.00 0.00 C ATOM 820 C GLN A 476 -2.807 -7.593 8.950 1.00 0.00 C ATOM 821 O GLN A 476 -3.755 -8.337 8.704 1.00 0.00 O ATOM 822 CB GLN A 476 -0.890 -8.234 10.458 1.00 0.00 C ATOM 823 CG GLN A 476 0.074 -7.486 11.382 1.00 0.00 C ATOM 824 CD GLN A 476 1.518 -7.937 11.149 1.00 0.00 C ATOM 825 OE1 GLN A 476 2.461 -7.172 11.270 1.00 0.00 O ATOM 826 NE2 GLN A 476 1.636 -9.217 10.808 1.00 0.00 N ATOM 0 H GLN A 476 -3.831 -8.736 10.945 1.00 0.00 H new ATOM 0 HA GLN A 476 -2.061 -6.460 10.607 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.043 -9.247 10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.452 -8.322 9.464 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -0.008 -6.413 11.208 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -0.203 -7.662 12.422 1.00 0.00 H new ATOM 0 HE21 GLN A 476 0.804 -9.801 10.725 1.00 0.00 H new ATOM 0 HE22 GLN A 476 2.558 -9.614 10.630 1.00 0.00 H new ATOM 835 N LEU A 477 -2.207 -6.821 8.057 1.00 0.00 N ATOM 836 CA LEU A 477 -2.645 -6.799 6.672 1.00 0.00 C ATOM 837 C LEU A 477 -1.422 -6.766 5.754 1.00 0.00 C ATOM 838 O LEU A 477 -0.544 -5.919 5.914 1.00 0.00 O ATOM 839 CB LEU A 477 -3.621 -5.643 6.437 1.00 0.00 C ATOM 840 CG LEU A 477 -3.655 -5.072 5.018 1.00 0.00 C ATOM 841 CD1 LEU A 477 -4.817 -5.664 4.217 1.00 0.00 C ATOM 842 CD2 LEU A 477 -3.697 -3.543 5.043 1.00 0.00 C ATOM 0 H LEU A 477 -1.421 -6.206 8.265 1.00 0.00 H new ATOM 0 HA LEU A 477 -3.198 -7.708 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -4.624 -5.983 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -3.371 -4.836 7.126 1.00 0.00 H new ATOM 0 HG LEU A 477 -2.734 -5.360 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -4.819 -5.242 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -4.703 -6.746 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -5.759 -5.426 4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.721 -3.163 4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.590 -3.212 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -2.811 -3.163 5.551 1.00 0.00 H new ATOM 854 N GLU A 478 -1.402 -7.699 4.813 1.00 0.00 N ATOM 855 CA GLU A 478 -0.300 -7.788 3.870 1.00 0.00 C ATOM 856 C GLU A 478 -0.719 -7.226 2.510 1.00 0.00 C ATOM 857 O GLU A 478 -1.734 -7.638 1.950 1.00 0.00 O ATOM 858 CB GLU A 478 0.194 -9.230 3.739 1.00 0.00 C ATOM 859 CG GLU A 478 1.707 -9.273 3.517 1.00 0.00 C ATOM 860 CD GLU A 478 2.214 -10.716 3.470 1.00 0.00 C ATOM 861 OE1 GLU A 478 1.561 -11.620 4.011 1.00 0.00 O ATOM 862 OE2 GLU A 478 3.328 -10.882 2.842 1.00 0.00 O ATOM 0 H GLU A 478 -2.132 -8.400 4.684 1.00 0.00 H new ATOM 0 HA GLU A 478 0.527 -7.188 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 478 -0.061 -9.789 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 478 -0.313 -9.718 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 478 1.956 -8.766 2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 478 2.211 -8.733 4.318 1.00 0.00 H new ATOM 870 N ALA A 479 0.084 -6.294 2.018 1.00 0.00 N ATOM 871 CA ALA A 479 -0.191 -5.671 0.735 1.00 0.00 C ATOM 872 C ALA A 479 1.131 -5.323 0.048 1.00 0.00 C ATOM 873 O ALA A 479 2.178 -5.287 0.692 1.00 0.00 O ATOM 874 CB ALA A 479 -1.080 -4.443 0.942 1.00 0.00 C ATOM 0 H ALA A 479 0.925 -5.955 2.485 1.00 0.00 H new ATOM 0 HA ALA A 479 -0.731 -6.358 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 479 -1.286 -3.976 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 479 -2.018 -4.747 1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 479 -0.570 -3.730 1.589 1.00 0.00 H new ATOM 880 N ALA A 480 1.040 -5.077 -1.251 1.00 0.00 N ATOM 881 CA ALA A 480 2.216 -4.734 -2.032 1.00 0.00 C ATOM 882 C ALA A 480 1.892 -3.546 -2.939 1.00 0.00 C ATOM 883 O ALA A 480 0.731 -3.161 -3.074 1.00 0.00 O ATOM 884 CB ALA A 480 2.680 -5.960 -2.821 1.00 0.00 C ATOM 0 H ALA A 480 0.170 -5.108 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 480 3.037 -4.436 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 480 3.562 -5.703 -3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 480 2.926 -6.766 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 480 1.883 -6.286 -3.489 1.00 0.00 H new ATOM 890 N PHE A 481 2.938 -2.997 -3.538 1.00 0.00 N ATOM 891 CA PHE A 481 2.779 -1.859 -4.428 1.00 0.00 C ATOM 892 C PHE A 481 2.993 -2.270 -5.887 1.00 0.00 C ATOM 893 O PHE A 481 3.836 -3.117 -6.179 1.00 0.00 O ATOM 894 CB PHE A 481 3.845 -0.833 -4.038 1.00 0.00 C ATOM 895 CG PHE A 481 4.294 0.067 -5.191 1.00 0.00 C ATOM 896 CD1 PHE A 481 3.368 0.732 -5.934 1.00 0.00 C ATOM 897 CD2 PHE A 481 5.617 0.203 -5.473 1.00 0.00 C ATOM 898 CE1 PHE A 481 3.784 1.568 -7.004 1.00 0.00 C ATOM 899 CE2 PHE A 481 6.033 1.039 -6.542 1.00 0.00 C ATOM 900 CZ PHE A 481 5.108 1.704 -7.285 1.00 0.00 C ATOM 0 H PHE A 481 3.899 -3.319 -3.425 1.00 0.00 H new ATOM 0 HA PHE A 481 1.771 -1.453 -4.337 1.00 0.00 H new ATOM 0 HB2 PHE A 481 3.456 -0.209 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 481 4.714 -1.359 -3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 481 2.317 0.624 -5.710 1.00 0.00 H new ATOM 0 HD2 PHE A 481 6.352 -0.325 -4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 481 3.049 2.096 -7.594 1.00 0.00 H new ATOM 0 HE2 PHE A 481 7.084 1.147 -6.765 1.00 0.00 H new ATOM 0 HZ PHE A 481 5.425 2.340 -8.098 1.00 0.00 H new ATOM 910 N ASN A 482 2.216 -1.651 -6.763 1.00 0.00 N ATOM 911 CA ASN A 482 2.310 -1.942 -8.183 1.00 0.00 C ATOM 912 C ASN A 482 1.700 -0.785 -8.978 1.00 0.00 C ATOM 913 O ASN A 482 0.635 -0.280 -8.627 1.00 0.00 O ATOM 914 CB ASN A 482 1.539 -3.215 -8.537 1.00 0.00 C ATOM 915 CG ASN A 482 0.330 -3.397 -7.617 1.00 0.00 C ATOM 916 OD1 ASN A 482 0.442 -3.445 -6.403 1.00 0.00 O ATOM 917 ND2 ASN A 482 -0.829 -3.496 -8.262 1.00 0.00 N ATOM 0 H ASN A 482 1.518 -0.949 -6.517 1.00 0.00 H new ATOM 0 HA ASN A 482 3.363 -2.077 -8.430 1.00 0.00 H new ATOM 0 HB2 ASN A 482 1.207 -3.167 -9.574 1.00 0.00 H new ATOM 0 HB3 ASN A 482 2.198 -4.079 -8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 482 -1.695 -3.620 -7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 482 -0.852 -3.448 -9.281 1.00 0.00 H new ATOM 924 N ASP A 483 2.403 -0.399 -10.033 1.00 0.00 N ATOM 925 CA ASP A 483 1.944 0.689 -10.880 1.00 0.00 C ATOM 926 C ASP A 483 0.688 0.249 -11.633 1.00 0.00 C ATOM 927 O ASP A 483 -0.010 1.075 -12.220 1.00 0.00 O ATOM 928 CB ASP A 483 3.007 1.068 -11.913 1.00 0.00 C ATOM 929 CG ASP A 483 3.640 -0.112 -12.652 1.00 0.00 C ATOM 930 OD1 ASP A 483 3.420 -1.280 -12.298 1.00 0.00 O ATOM 931 OD2 ASP A 483 4.400 0.209 -13.644 1.00 0.00 O ATOM 0 H ASP A 483 3.286 -0.820 -10.320 1.00 0.00 H new ATOM 0 HA ASP A 483 1.738 1.549 -10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 483 2.557 1.737 -12.646 1.00 0.00 H new ATOM 0 HB3 ASP A 483 3.796 1.629 -11.411 1.00 0.00 H new ATOM 1097 N ASN A 495 4.684 -10.107 -0.705 1.00 0.00 N ATOM 1098 CA ASN A 495 4.065 -8.841 -0.350 1.00 0.00 C ATOM 1099 C ASN A 495 4.565 -8.402 1.027 1.00 0.00 C ATOM 1100 O ASN A 495 5.214 -9.174 1.731 1.00 0.00 O ATOM 1101 CB ASN A 495 2.543 -8.973 -0.281 1.00 0.00 C ATOM 1102 CG ASN A 495 1.890 -8.476 -1.572 1.00 0.00 C ATOM 1103 OD1 ASN A 495 2.455 -8.546 -2.651 1.00 0.00 O ATOM 1104 ND2 ASN A 495 0.671 -7.971 -1.403 1.00 0.00 N ATOM 0 HA ASN A 495 4.329 -8.110 -1.114 1.00 0.00 H new ATOM 0 HB2 ASN A 495 2.272 -10.015 -0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 495 2.163 -8.402 0.566 1.00 0.00 H new ATOM 0 HD21 ASN A 495 0.152 -7.613 -2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 495 0.256 -7.942 -0.472 1.00 0.00 H new ATOM 1111 N TYR A 496 4.244 -7.163 1.371 1.00 0.00 N ATOM 1112 CA TYR A 496 4.653 -6.612 2.652 1.00 0.00 C ATOM 1113 C TYR A 496 3.536 -6.748 3.689 1.00 0.00 C ATOM 1114 O TYR A 496 2.357 -6.761 3.338 1.00 0.00 O ATOM 1115 CB TYR A 496 4.925 -5.127 2.404 1.00 0.00 C ATOM 1116 CG TYR A 496 6.127 -4.858 1.497 1.00 0.00 C ATOM 1117 CD1 TYR A 496 7.408 -5.014 1.985 1.00 0.00 C ATOM 1118 CD2 TYR A 496 5.930 -4.458 0.191 1.00 0.00 C ATOM 1119 CE1 TYR A 496 8.540 -4.760 1.131 1.00 0.00 C ATOM 1120 CE2 TYR A 496 7.061 -4.204 -0.663 1.00 0.00 C ATOM 1121 CZ TYR A 496 8.311 -4.368 -0.151 1.00 0.00 C ATOM 1122 OH TYR A 496 9.379 -4.129 -0.957 1.00 0.00 O ATOM 0 H TYR A 496 3.705 -6.525 0.785 1.00 0.00 H new ATOM 0 HA TYR A 496 5.527 -7.139 3.036 1.00 0.00 H new ATOM 0 HB2 TYR A 496 4.039 -4.675 1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 496 5.088 -4.633 3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 496 7.562 -5.327 3.007 1.00 0.00 H new ATOM 0 HD2 TYR A 496 4.927 -4.335 -0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 496 9.548 -4.878 1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 496 6.920 -3.890 -1.687 1.00 0.00 H new ATOM 0 HH TYR A 496 9.065 -3.858 -1.845 1.00 0.00 H new ATOM 1132 N SER A 497 3.946 -6.845 4.944 1.00 0.00 N ATOM 1133 CA SER A 497 2.995 -6.980 6.035 1.00 0.00 C ATOM 1134 C SER A 497 2.931 -5.679 6.837 1.00 0.00 C ATOM 1135 O SER A 497 3.963 -5.084 7.145 1.00 0.00 O ATOM 1136 CB SER A 497 3.367 -8.149 6.948 1.00 0.00 C ATOM 1137 OG SER A 497 2.658 -8.108 8.184 1.00 0.00 O ATOM 0 H SER A 497 4.925 -6.833 5.231 1.00 0.00 H new ATOM 0 HA SER A 497 2.013 -7.185 5.609 1.00 0.00 H new ATOM 0 HB2 SER A 497 3.154 -9.089 6.439 1.00 0.00 H new ATOM 0 HB3 SER A 497 4.439 -8.129 7.144 1.00 0.00 H new ATOM 0 HG SER A 497 3.182 -7.609 8.845 1.00 0.00 H new ATOM 1143 N PHE A 498 1.709 -5.275 7.152 1.00 0.00 N ATOM 1144 CA PHE A 498 1.497 -4.055 7.913 1.00 0.00 C ATOM 1145 C PHE A 498 0.599 -4.313 9.124 1.00 0.00 C ATOM 1146 O PHE A 498 -0.286 -5.166 9.075 1.00 0.00 O ATOM 1147 CB PHE A 498 0.803 -3.061 6.979 1.00 0.00 C ATOM 1148 CG PHE A 498 1.457 -2.940 5.602 1.00 0.00 C ATOM 1149 CD1 PHE A 498 2.556 -2.156 5.438 1.00 0.00 C ATOM 1150 CD2 PHE A 498 0.940 -3.616 4.541 1.00 0.00 C ATOM 1151 CE1 PHE A 498 3.164 -2.042 4.159 1.00 0.00 C ATOM 1152 CE2 PHE A 498 1.547 -3.503 3.263 1.00 0.00 C ATOM 1153 CZ PHE A 498 2.646 -2.718 3.099 1.00 0.00 C ATOM 0 H PHE A 498 0.856 -5.771 6.894 1.00 0.00 H new ATOM 0 HA PHE A 498 2.450 -3.673 8.278 1.00 0.00 H new ATOM 0 HB2 PHE A 498 -0.236 -3.364 6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 498 0.793 -2.079 7.453 1.00 0.00 H new ATOM 0 HD1 PHE A 498 2.967 -1.620 6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 498 0.067 -4.239 4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 498 4.037 -1.419 4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 498 1.136 -4.040 2.421 1.00 0.00 H new ATOM 0 HZ PHE A 498 3.107 -2.632 2.126 1.00 0.00 H new ATOM 1163 N SER A 499 0.856 -3.559 10.183 1.00 0.00 N ATOM 1164 CA SER A 499 0.082 -3.696 11.405 1.00 0.00 C ATOM 1165 C SER A 499 -0.824 -2.477 11.589 1.00 0.00 C ATOM 1166 O SER A 499 -0.477 -1.373 11.174 1.00 0.00 O ATOM 1167 CB SER A 499 0.996 -3.866 12.620 1.00 0.00 C ATOM 1168 OG SER A 499 2.334 -3.464 12.342 1.00 0.00 O ATOM 0 H SER A 499 1.589 -2.851 10.220 1.00 0.00 H new ATOM 0 HA SER A 499 -0.535 -4.591 11.321 1.00 0.00 H new ATOM 0 HB2 SER A 499 0.606 -3.279 13.452 1.00 0.00 H new ATOM 0 HB3 SER A 499 0.989 -4.909 12.936 1.00 0.00 H new ATOM 0 HG SER A 499 2.885 -3.586 13.143 1.00 0.00 H new ATOM 1174 N THR A 500 -1.968 -2.719 12.212 1.00 0.00 N ATOM 1175 CA THR A 500 -2.927 -1.655 12.456 1.00 0.00 C ATOM 1176 C THR A 500 -2.209 -0.311 12.594 1.00 0.00 C ATOM 1177 O THR A 500 -1.122 -0.240 13.165 1.00 0.00 O ATOM 1178 CB THR A 500 -3.751 -2.034 13.688 1.00 0.00 C ATOM 1179 OG1 THR A 500 -2.775 -2.256 14.702 1.00 0.00 O ATOM 1180 CG2 THR A 500 -4.445 -3.389 13.535 1.00 0.00 C ATOM 0 H THR A 500 -2.252 -3.636 12.555 1.00 0.00 H new ATOM 0 HA THR A 500 -3.610 -1.538 11.615 1.00 0.00 H new ATOM 0 HB THR A 500 -4.499 -1.263 13.876 1.00 0.00 H new ATOM 0 HG1 THR A 500 -3.222 -2.505 15.538 1.00 0.00 H new ATOM 0 HG21 THR A 500 -5.016 -3.609 14.437 1.00 0.00 H new ATOM 0 HG22 THR A 500 -5.118 -3.358 12.678 1.00 0.00 H new ATOM 0 HG23 THR A 500 -3.696 -4.166 13.381 1.00 0.00 H new ATOM 1188 N GLY A 501 -2.846 0.721 12.062 1.00 0.00 N ATOM 1189 CA GLY A 501 -2.281 2.059 12.118 1.00 0.00 C ATOM 1190 C GLY A 501 -2.052 2.618 10.712 1.00 0.00 C ATOM 1191 O GLY A 501 -2.812 2.322 9.792 1.00 0.00 O ATOM 0 H GLY A 501 -3.748 0.658 11.590 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -2.951 2.718 12.670 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -1.337 2.036 12.662 1.00 0.00 H new ATOM 1195 N THR A 502 -1.001 3.416 10.591 1.00 0.00 N ATOM 1196 CA THR A 502 -0.663 4.019 9.313 1.00 0.00 C ATOM 1197 C THR A 502 0.808 3.765 8.976 1.00 0.00 C ATOM 1198 O THR A 502 1.677 3.896 9.837 1.00 0.00 O ATOM 1199 CB THR A 502 -1.023 5.504 9.381 1.00 0.00 C ATOM 1200 OG1 THR A 502 -2.287 5.525 10.040 1.00 0.00 O ATOM 1201 CG2 THR A 502 -1.312 6.100 8.002 1.00 0.00 C ATOM 0 H THR A 502 -0.373 3.659 11.357 1.00 0.00 H new ATOM 0 HA THR A 502 -1.233 3.569 8.500 1.00 0.00 H new ATOM 0 HB THR A 502 -0.207 6.054 9.850 1.00 0.00 H new ATOM 0 HG1 THR A 502 -2.595 6.451 10.128 1.00 0.00 H new ATOM 0 HG21 THR A 502 -1.562 7.156 8.107 1.00 0.00 H new ATOM 0 HG22 THR A 502 -0.430 5.997 7.369 1.00 0.00 H new ATOM 0 HG23 THR A 502 -2.150 5.572 7.546 1.00 0.00 H new ATOM 1209 N SER A 503 1.041 3.406 7.723 1.00 0.00 N ATOM 1210 CA SER A 503 2.391 3.132 7.262 1.00 0.00 C ATOM 1211 C SER A 503 2.669 3.902 5.969 1.00 0.00 C ATOM 1212 O SER A 503 1.762 4.130 5.171 1.00 0.00 O ATOM 1213 CB SER A 503 2.605 1.633 7.043 1.00 0.00 C ATOM 1214 OG SER A 503 1.372 0.923 6.970 1.00 0.00 O ATOM 0 H SER A 503 0.317 3.298 7.012 1.00 0.00 H new ATOM 0 HA SER A 503 3.089 3.462 8.032 1.00 0.00 H new ATOM 0 HB2 SER A 503 3.168 1.478 6.123 1.00 0.00 H new ATOM 0 HB3 SER A 503 3.208 1.230 7.857 1.00 0.00 H new ATOM 0 HG SER A 503 1.524 0.044 6.565 1.00 0.00 H new ATOM 1220 N THR A 504 3.928 4.281 5.803 1.00 0.00 N ATOM 1221 CA THR A 504 4.337 5.021 4.621 1.00 0.00 C ATOM 1222 C THR A 504 5.164 4.129 3.693 1.00 0.00 C ATOM 1223 O THR A 504 6.007 3.362 4.153 1.00 0.00 O ATOM 1224 CB THR A 504 5.082 6.275 5.083 1.00 0.00 C ATOM 1225 OG1 THR A 504 4.051 7.142 5.546 1.00 0.00 O ATOM 1226 CG2 THR A 504 5.718 7.040 3.920 1.00 0.00 C ATOM 0 H THR A 504 4.678 4.090 6.467 1.00 0.00 H new ATOM 0 HA THR A 504 3.475 5.336 4.033 1.00 0.00 H new ATOM 0 HB THR A 504 5.855 5.994 5.799 1.00 0.00 H new ATOM 0 HG1 THR A 504 4.236 7.405 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 504 6.234 7.921 4.303 1.00 0.00 H new ATOM 0 HG22 THR A 504 6.432 6.395 3.408 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.942 7.350 3.220 1.00 0.00 H new ATOM 1234 N TYR A 505 4.893 4.261 2.403 1.00 0.00 N ATOM 1235 CA TYR A 505 5.601 3.476 1.406 1.00 0.00 C ATOM 1236 C TYR A 505 6.296 4.382 0.387 1.00 0.00 C ATOM 1237 O TYR A 505 5.647 5.195 -0.269 1.00 0.00 O ATOM 1238 CB TYR A 505 4.535 2.645 0.688 1.00 0.00 C ATOM 1239 CG TYR A 505 5.104 1.535 -0.198 1.00 0.00 C ATOM 1240 CD1 TYR A 505 5.572 1.833 -1.462 1.00 0.00 C ATOM 1241 CD2 TYR A 505 5.150 0.236 0.266 1.00 0.00 C ATOM 1242 CE1 TYR A 505 6.107 0.788 -2.296 1.00 0.00 C ATOM 1243 CE2 TYR A 505 5.686 -0.808 -0.568 1.00 0.00 C ATOM 1244 CZ TYR A 505 6.138 -0.481 -1.808 1.00 0.00 C ATOM 1245 OH TYR A 505 6.643 -1.467 -2.596 1.00 0.00 O ATOM 0 H TYR A 505 4.193 4.900 2.025 1.00 0.00 H new ATOM 0 HA TYR A 505 6.366 2.858 1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 505 3.874 2.199 1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 505 3.924 3.308 0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 505 5.537 2.849 -1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.784 0.003 1.255 1.00 0.00 H new ATOM 0 HE1 TYR A 505 6.476 1.007 -3.287 1.00 0.00 H new ATOM 0 HE2 TYR A 505 5.728 -1.828 -0.216 1.00 0.00 H new ATOM 0 HH TYR A 505 7.169 -2.087 -2.048 1.00 0.00 H new ATOM 1255 N THR A 506 7.605 4.210 0.287 1.00 0.00 N ATOM 1256 CA THR A 506 8.395 5.002 -0.641 1.00 0.00 C ATOM 1257 C THR A 506 9.257 4.093 -1.519 1.00 0.00 C ATOM 1258 O THR A 506 9.702 3.036 -1.076 1.00 0.00 O ATOM 1259 CB THR A 506 9.209 6.011 0.173 1.00 0.00 C ATOM 1260 OG1 THR A 506 8.278 7.048 0.472 1.00 0.00 O ATOM 1261 CG2 THR A 506 10.285 6.706 -0.664 1.00 0.00 C ATOM 0 H THR A 506 8.139 3.534 0.833 1.00 0.00 H new ATOM 0 HA THR A 506 7.758 5.556 -1.330 1.00 0.00 H new ATOM 0 HB THR A 506 9.677 5.504 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 506 8.722 7.744 1.000 1.00 0.00 H new ATOM 0 HG21 THR A 506 10.833 7.411 -0.039 1.00 0.00 H new ATOM 0 HG22 THR A 506 10.975 5.961 -1.061 1.00 0.00 H new ATOM 0 HG23 THR A 506 9.815 7.242 -1.489 1.00 0.00 H new ATOM 1269 N PRO A 507 9.472 4.550 -2.782 1.00 0.00 N ATOM 1270 CA PRO A 507 10.273 3.790 -3.726 1.00 0.00 C ATOM 1271 C PRO A 507 11.763 3.900 -3.395 1.00 0.00 C ATOM 1272 O PRO A 507 12.228 4.949 -2.952 1.00 0.00 O ATOM 1273 CB PRO A 507 9.924 4.364 -5.090 1.00 0.00 C ATOM 1274 CG PRO A 507 9.299 5.724 -4.822 1.00 0.00 C ATOM 1275 CD PRO A 507 8.962 5.798 -3.342 1.00 0.00 C ATOM 0 HA PRO A 507 10.061 2.721 -3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 507 10.813 4.459 -5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 507 9.230 3.713 -5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 507 9.989 6.522 -5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 507 8.401 5.857 -5.425 1.00 0.00 H new ATOM 0 HD2 PRO A 507 9.430 6.663 -2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 507 7.888 5.892 -3.185 1.00 0.00 H new ATOM 1346 N GLY A 514 11.907 -0.806 -1.919 1.00 0.00 N ATOM 1347 CA GLY A 514 10.650 -0.382 -1.325 1.00 0.00 C ATOM 1348 C GLY A 514 10.800 -0.170 0.182 1.00 0.00 C ATOM 1349 O GLY A 514 10.904 -1.132 0.941 1.00 0.00 O ATOM 0 HA2 GLY A 514 10.316 0.543 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 514 9.882 -1.132 -1.516 1.00 0.00 H new ATOM 1353 N THR A 515 10.806 1.097 0.572 1.00 0.00 N ATOM 1354 CA THR A 515 10.942 1.448 1.975 1.00 0.00 C ATOM 1355 C THR A 515 9.564 1.608 2.620 1.00 0.00 C ATOM 1356 O THR A 515 8.659 2.190 2.024 1.00 0.00 O ATOM 1357 CB THR A 515 11.806 2.707 2.066 1.00 0.00 C ATOM 1358 OG1 THR A 515 11.554 3.390 0.841 1.00 0.00 O ATOM 1359 CG2 THR A 515 13.303 2.395 2.018 1.00 0.00 C ATOM 0 H THR A 515 10.719 1.893 -0.060 1.00 0.00 H new ATOM 0 HA THR A 515 11.438 0.655 2.535 1.00 0.00 H new ATOM 0 HB THR A 515 11.576 3.239 2.989 1.00 0.00 H new ATOM 0 HG1 THR A 515 10.587 3.458 0.697 1.00 0.00 H new ATOM 0 HG21 THR A 515 13.870 3.323 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 515 13.566 1.746 2.854 1.00 0.00 H new ATOM 0 HG23 THR A 515 13.540 1.893 1.080 1.00 0.00 H new ATOM 1367 N ILE A 516 9.448 1.082 3.831 1.00 0.00 N ATOM 1368 CA ILE A 516 8.195 1.159 4.563 1.00 0.00 C ATOM 1369 C ILE A 516 8.441 1.834 5.915 1.00 0.00 C ATOM 1370 O ILE A 516 9.438 1.557 6.579 1.00 0.00 O ATOM 1371 CB ILE A 516 7.553 -0.225 4.674 1.00 0.00 C ATOM 1372 CG1 ILE A 516 7.739 -1.021 3.381 1.00 0.00 C ATOM 1373 CG2 ILE A 516 6.080 -0.116 5.073 1.00 0.00 C ATOM 1374 CD1 ILE A 516 7.296 -2.474 3.563 1.00 0.00 C ATOM 0 H ILE A 516 10.201 0.601 4.323 1.00 0.00 H new ATOM 0 HA ILE A 516 7.476 1.775 4.024 1.00 0.00 H new ATOM 0 HB ILE A 516 8.061 -0.774 5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 516 7.163 -0.559 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 516 8.786 -0.991 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 516 5.648 -1.114 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 516 6.001 0.384 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 516 5.541 0.460 4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 516 7.439 -3.018 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 516 7.891 -2.940 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 516 6.242 -2.501 3.841 1.00 0.00 H new ATOM 1386 N THR A 517 7.513 2.706 6.282 1.00 0.00 N ATOM 1387 CA THR A 517 7.617 3.422 7.542 1.00 0.00 C ATOM 1388 C THR A 517 6.306 3.316 8.325 1.00 0.00 C ATOM 1389 O THR A 517 5.265 2.987 7.758 1.00 0.00 O ATOM 1390 CB THR A 517 8.025 4.864 7.234 1.00 0.00 C ATOM 1391 OG1 THR A 517 7.743 5.016 5.846 1.00 0.00 O ATOM 1392 CG2 THR A 517 9.537 5.077 7.333 1.00 0.00 C ATOM 0 H THR A 517 6.686 2.933 5.729 1.00 0.00 H new ATOM 0 HA THR A 517 8.380 2.983 8.185 1.00 0.00 H new ATOM 0 HB THR A 517 7.517 5.540 7.922 1.00 0.00 H new ATOM 0 HG1 THR A 517 7.977 5.924 5.562 1.00 0.00 H new ATOM 0 HG21 THR A 517 9.774 6.116 7.105 1.00 0.00 H new ATOM 0 HG22 THR A 517 9.872 4.841 8.343 1.00 0.00 H new ATOM 0 HG23 THR A 517 10.044 4.425 6.621 1.00 0.00 H new ATOM 1400 N SER A 518 6.401 3.600 9.616 1.00 0.00 N ATOM 1401 CA SER A 518 5.236 3.540 10.482 1.00 0.00 C ATOM 1402 C SER A 518 4.756 4.955 10.811 1.00 0.00 C ATOM 1403 O SER A 518 5.223 5.565 11.772 1.00 0.00 O ATOM 1404 CB SER A 518 5.545 2.772 11.768 1.00 0.00 C ATOM 1405 OG SER A 518 5.751 1.383 11.524 1.00 0.00 O ATOM 0 H SER A 518 7.266 3.872 10.083 1.00 0.00 H new ATOM 0 HA SER A 518 4.444 3.008 9.955 1.00 0.00 H new ATOM 0 HB2 SER A 518 6.434 3.193 12.237 1.00 0.00 H new ATOM 0 HB3 SER A 518 4.723 2.898 12.472 1.00 0.00 H new ATOM 0 HG SER A 518 5.947 0.928 12.369 1.00 0.00 H new ATOM 1411 N GLY A 519 3.828 5.436 9.996 1.00 0.00 N ATOM 1412 CA GLY A 519 3.280 6.767 10.189 1.00 0.00 C ATOM 1413 C GLY A 519 3.329 7.574 8.889 1.00 0.00 C ATOM 1414 O GLY A 519 4.374 7.657 8.246 1.00 0.00 O ATOM 0 H GLY A 519 3.442 4.927 9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 519 2.250 6.693 10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 519 3.842 7.287 10.965 1.00 0.00 H new ATOM 1418 N ALA A 520 2.186 8.147 8.542 1.00 0.00 N ATOM 1419 CA ALA A 520 2.086 8.944 7.331 1.00 0.00 C ATOM 1420 C ALA A 520 3.065 10.116 7.415 1.00 0.00 C ATOM 1421 O ALA A 520 3.411 10.565 8.507 1.00 0.00 O ATOM 1422 CB ALA A 520 0.640 9.405 7.142 1.00 0.00 C ATOM 0 H ALA A 520 1.321 8.075 9.078 1.00 0.00 H new ATOM 0 HA ALA A 520 2.356 8.351 6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 520 0.564 10.003 6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -0.011 8.535 7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 520 0.335 10.006 7.999 1.00 0.00 H new ATOM 1428 N PRO A 521 3.497 10.591 6.216 1.00 0.00 N ATOM 1429 CA PRO A 521 4.430 11.703 6.143 1.00 0.00 C ATOM 1430 C PRO A 521 3.730 13.027 6.455 1.00 0.00 C ATOM 1431 O PRO A 521 2.539 13.181 6.190 1.00 0.00 O ATOM 1432 CB PRO A 521 4.997 11.648 4.734 1.00 0.00 C ATOM 1433 CG PRO A 521 4.026 10.802 3.926 1.00 0.00 C ATOM 1434 CD PRO A 521 3.109 10.085 4.902 1.00 0.00 C ATOM 0 HA PRO A 521 5.228 11.633 6.882 1.00 0.00 H new ATOM 0 HB2 PRO A 521 5.089 12.648 4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 521 5.994 11.208 4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 521 3.447 11.429 3.248 1.00 0.00 H new ATOM 0 HG3 PRO A 521 4.567 10.082 3.311 1.00 0.00 H new ATOM 0 HD2 PRO A 521 2.061 10.297 4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 521 3.234 9.004 4.841 1.00 0.00 H new