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= -0.48 K(o=-0.42,f=0.18) USER MOD Set 1.2: A 497 SER OG : rot 60:sc= 0.0562 USER MOD Set 2.1: A 496 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 505 TYR OH : rot 134:sc= 0.516 USER MOD Single : A 424 ASN : amide:sc= -2.83! C(o=-2.8!,f=-2.4!) USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 THR OG1 : rot -120:sc= -0.871 USER MOD Single : A 429 TYR OH : rot 180:sc= -0.277 USER MOD Single : A 430 TYR OH : rot 88:sc= -0.28! USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 LYS NZ :NH3+ -168:sc= 0.846 (180deg=0.741) USER MOD Single : A 435 ASN : amide:sc= -4.81! C(o=-4.8!,f=-2.2!) USER MOD Single : A 436 SER OG : rot 58:sc= 0.16 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc= -7.28! K(o=-7.3!,f=-6.2) USER MOD Single : A 441 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 THR OG1 : rot -126:sc= 0.332 USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 146:sc= -9.52! (180deg=-15.7!) USER MOD Single : A 457 GLN : amide:sc= -0.0819 K(o=-0.082,f=-1.2!) USER MOD Single : A 462 SER OG : rot 74:sc= 1.14 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 180:sc= 0 USER MOD Single : A 475 SER OG : rot 180:sc= 0 USER MOD Single : A 482 ASN : amide:sc= -3.93! C(o=-3.9!,f=-7.8!) USER MOD Single : A 495 ASN : amide:sc= -0.675 K(o=-0.67,f=-2.4) USER MOD Single : A 499 SER OG : rot 180:sc= 0.025 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 503 SER OG : rot 180:sc= -1.34 USER MOD Single : A 504 THR OG1 : rot 106:sc= -1.41! USER MOD Single : A 506 THR OG1 : rot 180:sc= 0 USER MOD Single : A 515 THR OG1 : rot 48:sc= 0.497 USER MOD Single : A 517 THR OG1 : rot 177:sc= -1.5! USER MOD Single : A 518 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 424 -10.470 -2.939 13.114 1.00 0.00 N ATOM 37 CA ASN A 424 -9.221 -2.209 12.974 1.00 0.00 C ATOM 38 C ASN A 424 -9.106 -1.670 11.547 1.00 0.00 C ATOM 39 O ASN A 424 -9.758 -2.176 10.635 1.00 0.00 O ATOM 40 CB ASN A 424 -8.019 -3.120 13.234 1.00 0.00 C ATOM 41 CG ASN A 424 -7.691 -3.183 14.727 1.00 0.00 C ATOM 42 OD1 ASN A 424 -7.573 -4.244 15.318 1.00 0.00 O ATOM 43 ND2 ASN A 424 -7.551 -1.992 15.301 1.00 0.00 N ATOM 0 HA ASN A 424 -9.222 -1.397 13.701 1.00 0.00 H new ATOM 0 HB2 ASN A 424 -8.231 -4.122 12.862 1.00 0.00 H new ATOM 0 HB3 ASN A 424 -7.153 -2.752 12.683 1.00 0.00 H new ATOM 0 HD21 ASN A 424 -7.331 -1.928 16.295 1.00 0.00 H new ATOM 0 HD22 ASN A 424 -7.663 -1.143 14.747 1.00 0.00 H new ATOM 50 N LYS A 425 -8.273 -0.651 11.399 1.00 0.00 N ATOM 51 CA LYS A 425 -8.065 -0.037 10.098 1.00 0.00 C ATOM 52 C LYS A 425 -6.564 0.072 9.824 1.00 0.00 C ATOM 53 O LYS A 425 -5.772 0.252 10.748 1.00 0.00 O ATOM 54 CB LYS A 425 -8.805 1.299 10.011 1.00 0.00 C ATOM 55 CG LYS A 425 -10.313 1.083 9.868 1.00 0.00 C ATOM 56 CD LYS A 425 -10.741 1.155 8.401 1.00 0.00 C ATOM 57 CE LYS A 425 -12.264 1.220 8.277 1.00 0.00 C ATOM 58 NZ LYS A 425 -12.746 2.598 8.518 1.00 0.00 N ATOM 0 H LYS A 425 -7.734 -0.235 12.158 1.00 0.00 H new ATOM 0 HA LYS A 425 -8.488 -0.661 9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -8.602 1.890 10.904 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -8.434 1.870 9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -10.586 0.113 10.283 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -10.848 1.838 10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -10.297 2.033 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -10.366 0.283 7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -12.568 0.891 7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -12.722 0.538 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -13.782 2.624 8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -12.472 2.899 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -12.323 3.241 7.819 1.00 0.00 H new ATOM 71 N VAL A 426 -6.217 -0.042 8.551 1.00 0.00 N ATOM 72 CA VAL A 426 -4.825 0.041 8.144 1.00 0.00 C ATOM 73 C VAL A 426 -4.690 1.052 7.004 1.00 0.00 C ATOM 74 O VAL A 426 -5.307 0.892 5.951 1.00 0.00 O ATOM 75 CB VAL A 426 -4.304 -1.350 7.774 1.00 0.00 C ATOM 76 CG1 VAL A 426 -2.774 -1.373 7.749 1.00 0.00 C ATOM 77 CG2 VAL A 426 -4.853 -2.412 8.728 1.00 0.00 C ATOM 0 H VAL A 426 -6.876 -0.191 7.787 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.207 0.397 8.969 1.00 0.00 H new ATOM 0 HB VAL A 426 -4.659 -1.586 6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -2.429 -2.372 7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -2.411 -0.656 7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -2.390 -1.106 8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -4.468 -3.391 8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -4.542 -2.182 9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -5.942 -2.421 8.675 1.00 0.00 H new ATOM 87 N THR A 427 -3.881 2.071 7.252 1.00 0.00 N ATOM 88 CA THR A 427 -3.658 3.109 6.259 1.00 0.00 C ATOM 89 C THR A 427 -2.263 2.971 5.647 1.00 0.00 C ATOM 90 O THR A 427 -1.288 2.745 6.362 1.00 0.00 O ATOM 91 CB THR A 427 -3.897 4.463 6.929 1.00 0.00 C ATOM 92 OG1 THR A 427 -5.281 4.445 7.267 1.00 0.00 O ATOM 93 CG2 THR A 427 -3.767 5.632 5.950 1.00 0.00 C ATOM 0 H THR A 427 -3.372 2.201 8.126 1.00 0.00 H new ATOM 0 HA THR A 427 -4.354 3.015 5.426 1.00 0.00 H new ATOM 0 HB THR A 427 -3.187 4.593 7.746 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.738 5.186 6.816 1.00 0.00 H new ATOM 0 HG21 THR A 427 -3.946 6.569 6.477 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.763 5.641 5.525 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.499 5.520 5.150 1.00 0.00 H new ATOM 101 N ILE A 428 -2.212 3.113 4.331 1.00 0.00 N ATOM 102 CA ILE A 428 -0.953 3.007 3.615 1.00 0.00 C ATOM 103 C ILE A 428 -0.823 4.180 2.642 1.00 0.00 C ATOM 104 O ILE A 428 -1.671 4.365 1.770 1.00 0.00 O ATOM 105 CB ILE A 428 -0.831 1.637 2.945 1.00 0.00 C ATOM 106 CG1 ILE A 428 -0.392 0.571 3.952 1.00 0.00 C ATOM 107 CG2 ILE A 428 0.102 1.699 1.734 1.00 0.00 C ATOM 108 CD1 ILE A 428 -1.293 -0.663 3.872 1.00 0.00 C ATOM 0 H ILE A 428 -3.023 3.301 3.742 1.00 0.00 H new ATOM 0 HA ILE A 428 -0.115 3.073 4.309 1.00 0.00 H new ATOM 0 HB ILE A 428 -1.816 1.348 2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.641 0.284 3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 428 -0.423 0.984 4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 428 0.171 0.712 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -0.292 2.409 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 428 1.093 2.020 2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 428 -0.959 -1.405 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 428 -2.322 -0.377 4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -1.241 -1.087 2.869 1.00 0.00 H new ATOM 120 N TYR A 429 0.244 4.944 2.824 1.00 0.00 N ATOM 121 CA TYR A 429 0.495 6.095 1.973 1.00 0.00 C ATOM 122 C TYR A 429 1.764 5.896 1.142 1.00 0.00 C ATOM 123 O TYR A 429 2.866 5.850 1.686 1.00 0.00 O ATOM 124 CB TYR A 429 0.699 7.281 2.917 1.00 0.00 C ATOM 125 CG TYR A 429 -0.564 7.698 3.674 1.00 0.00 C ATOM 126 CD1 TYR A 429 -1.772 7.097 3.385 1.00 0.00 C ATOM 127 CD2 TYR A 429 -0.495 8.675 4.647 1.00 0.00 C ATOM 128 CE1 TYR A 429 -2.960 7.489 4.097 1.00 0.00 C ATOM 129 CE2 TYR A 429 -1.683 9.067 5.359 1.00 0.00 C ATOM 130 CZ TYR A 429 -2.857 8.455 5.049 1.00 0.00 C ATOM 131 OH TYR A 429 -3.980 8.825 5.722 1.00 0.00 O ATOM 0 H TYR A 429 0.945 4.789 3.549 1.00 0.00 H new ATOM 0 HA TYR A 429 -0.333 6.249 1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 429 1.476 7.028 3.639 1.00 0.00 H new ATOM 0 HB3 TYR A 429 1.063 8.132 2.341 1.00 0.00 H new ATOM 0 HD1 TYR A 429 -1.826 6.332 2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 429 0.450 9.145 4.874 1.00 0.00 H new ATOM 0 HE1 TYR A 429 -3.912 7.027 3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 429 -1.643 9.830 6.122 1.00 0.00 H new ATOM 0 HH TYR A 429 -3.757 9.523 6.372 1.00 0.00 H new ATOM 141 N TYR A 430 1.567 5.783 -0.164 1.00 0.00 N ATOM 142 CA TYR A 430 2.682 5.590 -1.075 1.00 0.00 C ATOM 143 C TYR A 430 2.935 6.850 -1.906 1.00 0.00 C ATOM 144 O TYR A 430 1.994 7.520 -2.327 1.00 0.00 O ATOM 145 CB TYR A 430 2.269 4.452 -2.010 1.00 0.00 C ATOM 146 CG TYR A 430 3.153 4.315 -3.252 1.00 0.00 C ATOM 147 CD1 TYR A 430 4.527 4.370 -3.130 1.00 0.00 C ATOM 148 CD2 TYR A 430 2.577 4.136 -4.493 1.00 0.00 C ATOM 149 CE1 TYR A 430 5.359 4.242 -4.298 1.00 0.00 C ATOM 150 CE2 TYR A 430 3.409 4.007 -5.661 1.00 0.00 C ATOM 151 CZ TYR A 430 4.759 4.067 -5.506 1.00 0.00 C ATOM 152 OH TYR A 430 5.545 3.945 -6.610 1.00 0.00 O ATOM 0 H TYR A 430 0.652 5.821 -0.612 1.00 0.00 H new ATOM 0 HA TYR A 430 3.595 5.368 -0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 430 2.291 3.514 -1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 430 1.238 4.611 -2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 430 4.978 4.509 -2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 430 1.502 4.093 -4.588 1.00 0.00 H new ATOM 0 HE1 TYR A 430 6.435 4.284 -4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 430 2.971 3.866 -6.638 1.00 0.00 H new ATOM 0 HH TYR A 430 5.783 3.003 -6.740 1.00 0.00 H new ATOM 162 N LYS A 431 4.212 7.134 -2.116 1.00 0.00 N ATOM 163 CA LYS A 431 4.602 8.302 -2.888 1.00 0.00 C ATOM 164 C LYS A 431 4.102 8.147 -4.326 1.00 0.00 C ATOM 165 O LYS A 431 4.163 7.058 -4.894 1.00 0.00 O ATOM 166 CB LYS A 431 6.110 8.535 -2.783 1.00 0.00 C ATOM 167 CG LYS A 431 6.563 9.637 -3.743 1.00 0.00 C ATOM 168 CD LYS A 431 7.204 9.042 -4.998 1.00 0.00 C ATOM 169 CE LYS A 431 7.938 10.117 -5.801 1.00 0.00 C ATOM 170 NZ LYS A 431 9.348 9.725 -6.024 1.00 0.00 N ATOM 0 H LYS A 431 4.990 6.575 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 431 4.136 9.200 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.369 8.810 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.641 7.610 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 431 5.709 10.253 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 431 7.276 10.291 -3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 431 7.902 8.254 -4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 431 6.436 8.580 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 431 7.440 10.267 -6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 431 7.898 11.067 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 9.832 10.466 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 9.824 9.604 -5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 9.380 8.829 -6.551 1.00 0.00 H new ATOM 183 N LYS A 432 3.618 9.252 -4.873 1.00 0.00 N ATOM 184 CA LYS A 432 3.108 9.253 -6.233 1.00 0.00 C ATOM 185 C LYS A 432 4.282 9.206 -7.214 1.00 0.00 C ATOM 186 O LYS A 432 5.022 10.179 -7.348 1.00 0.00 O ATOM 187 CB LYS A 432 2.170 10.441 -6.453 1.00 0.00 C ATOM 188 CG LYS A 432 1.175 10.154 -7.580 1.00 0.00 C ATOM 189 CD LYS A 432 0.061 11.202 -7.608 1.00 0.00 C ATOM 190 CE LYS A 432 -1.144 10.743 -6.784 1.00 0.00 C ATOM 191 NZ LYS A 432 -2.385 10.834 -7.586 1.00 0.00 N ATOM 0 H LYS A 432 3.568 10.154 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 432 2.505 8.363 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 432 1.629 10.657 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 432 2.753 11.329 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 432 1.696 10.147 -8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 432 0.743 9.162 -7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 432 0.436 12.147 -7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 432 -0.246 11.384 -8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 432 -0.994 9.716 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 432 -1.236 11.359 -5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 432 -3.210 10.717 -6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 432 -2.431 11.763 -8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 432 -2.388 10.085 -8.308 1.00 0.00 H new ATOM 204 N GLY A 433 4.414 8.065 -7.875 1.00 0.00 N ATOM 205 CA GLY A 433 5.486 7.879 -8.838 1.00 0.00 C ATOM 206 C GLY A 433 4.935 7.409 -10.186 1.00 0.00 C ATOM 207 O GLY A 433 5.674 6.872 -11.010 1.00 0.00 O ATOM 0 H GLY A 433 3.797 7.261 -7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 433 6.029 8.815 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 433 6.199 7.148 -8.457 1.00 0.00 H new ATOM 211 N PHE A 434 3.641 7.627 -10.369 1.00 0.00 N ATOM 212 CA PHE A 434 2.982 7.232 -11.603 1.00 0.00 C ATOM 213 C PHE A 434 1.774 8.126 -11.890 1.00 0.00 C ATOM 214 O PHE A 434 1.731 8.809 -12.912 1.00 0.00 O ATOM 215 CB PHE A 434 2.503 5.792 -11.412 1.00 0.00 C ATOM 216 CG PHE A 434 3.531 4.735 -11.821 1.00 0.00 C ATOM 217 CD1 PHE A 434 3.648 4.369 -13.125 1.00 0.00 C ATOM 218 CD2 PHE A 434 4.327 4.161 -10.879 1.00 0.00 C ATOM 219 CE1 PHE A 434 4.602 3.388 -13.504 1.00 0.00 C ATOM 220 CE2 PHE A 434 5.281 3.180 -11.258 1.00 0.00 C ATOM 221 CZ PHE A 434 5.398 2.814 -12.562 1.00 0.00 C ATOM 0 H PHE A 434 3.031 8.072 -9.683 1.00 0.00 H new ATOM 0 HA PHE A 434 3.674 7.323 -12.440 1.00 0.00 H new ATOM 0 HB2 PHE A 434 2.241 5.643 -10.365 1.00 0.00 H new ATOM 0 HB3 PHE A 434 1.593 5.643 -11.993 1.00 0.00 H new ATOM 0 HD1 PHE A 434 3.015 4.824 -13.873 1.00 0.00 H new ATOM 0 HD2 PHE A 434 4.233 4.451 -9.843 1.00 0.00 H new ATOM 0 HE1 PHE A 434 4.696 3.098 -14.540 1.00 0.00 H new ATOM 0 HE2 PHE A 434 5.914 2.725 -10.510 1.00 0.00 H new ATOM 0 HZ PHE A 434 6.123 2.067 -12.850 1.00 0.00 H new ATOM 231 N ASN A 435 0.822 8.093 -10.969 1.00 0.00 N ATOM 232 CA ASN A 435 -0.384 8.890 -11.111 1.00 0.00 C ATOM 233 C ASN A 435 -1.558 8.151 -10.466 1.00 0.00 C ATOM 234 O ASN A 435 -2.174 8.655 -9.527 1.00 0.00 O ATOM 235 CB ASN A 435 -0.723 9.121 -12.585 1.00 0.00 C ATOM 236 CG ASN A 435 -0.287 10.516 -13.036 1.00 0.00 C ATOM 237 OD1 ASN A 435 -0.900 11.142 -13.885 1.00 0.00 O ATOM 238 ND2 ASN A 435 0.803 10.967 -12.422 1.00 0.00 N ATOM 0 H ASN A 435 0.862 7.527 -10.122 1.00 0.00 H new ATOM 0 HA ASN A 435 -0.211 9.851 -10.627 1.00 0.00 H new ATOM 0 HB2 ASN A 435 -0.230 8.366 -13.198 1.00 0.00 H new ATOM 0 HB3 ASN A 435 -1.796 9.004 -12.738 1.00 0.00 H new ATOM 0 HD21 ASN A 435 1.174 11.889 -12.653 1.00 0.00 H new ATOM 0 HD22 ASN A 435 1.268 10.391 -11.720 1.00 0.00 H new ATOM 245 N SER A 436 -1.834 6.968 -10.995 1.00 0.00 N ATOM 246 CA SER A 436 -2.924 6.155 -10.484 1.00 0.00 C ATOM 247 C SER A 436 -2.454 4.711 -10.292 1.00 0.00 C ATOM 248 O SER A 436 -2.987 3.793 -10.913 1.00 0.00 O ATOM 249 CB SER A 436 -4.132 6.199 -11.422 1.00 0.00 C ATOM 250 OG SER A 436 -3.795 5.794 -12.746 1.00 0.00 O ATOM 0 H SER A 436 -1.321 6.553 -11.773 1.00 0.00 H new ATOM 0 HA SER A 436 -3.231 6.562 -9.521 1.00 0.00 H new ATOM 0 HB2 SER A 436 -4.917 5.550 -11.033 1.00 0.00 H new ATOM 0 HB3 SER A 436 -4.537 7.211 -11.444 1.00 0.00 H new ATOM 0 HG SER A 436 -3.418 4.890 -12.725 1.00 0.00 H new ATOM 256 N PRO A 437 -1.434 4.552 -9.406 1.00 0.00 N ATOM 257 CA PRO A 437 -0.887 3.236 -9.125 1.00 0.00 C ATOM 258 C PRO A 437 -1.832 2.427 -8.234 1.00 0.00 C ATOM 259 O PRO A 437 -2.536 2.991 -7.398 1.00 0.00 O ATOM 260 CB PRO A 437 0.461 3.502 -8.473 1.00 0.00 C ATOM 261 CG PRO A 437 0.414 4.943 -7.992 1.00 0.00 C ATOM 262 CD PRO A 437 -0.778 5.616 -8.652 1.00 0.00 C ATOM 0 HA PRO A 437 -0.769 2.630 -10.023 1.00 0.00 H new ATOM 0 HB2 PRO A 437 0.635 2.818 -7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 437 1.274 3.354 -9.183 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.321 4.980 -6.907 1.00 0.00 H new ATOM 0 HG3 PRO A 437 1.337 5.462 -8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -1.450 6.048 -7.910 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -0.462 6.428 -9.307 1.00 0.00 H new ATOM 270 N TYR A 438 -1.818 1.119 -8.445 1.00 0.00 N ATOM 271 CA TYR A 438 -2.666 0.228 -7.672 1.00 0.00 C ATOM 272 C TYR A 438 -1.883 -0.418 -6.527 1.00 0.00 C ATOM 273 O TYR A 438 -0.669 -0.594 -6.622 1.00 0.00 O ATOM 274 CB TYR A 438 -3.124 -0.864 -8.641 1.00 0.00 C ATOM 275 CG TYR A 438 -3.968 -0.347 -9.808 1.00 0.00 C ATOM 276 CD1 TYR A 438 -3.380 0.406 -10.804 1.00 0.00 C ATOM 277 CD2 TYR A 438 -5.316 -0.634 -9.864 1.00 0.00 C ATOM 278 CE1 TYR A 438 -4.175 0.893 -11.902 1.00 0.00 C ATOM 279 CE2 TYR A 438 -6.111 -0.148 -10.962 1.00 0.00 C ATOM 280 CZ TYR A 438 -5.501 0.592 -11.927 1.00 0.00 C ATOM 281 OH TYR A 438 -6.251 1.052 -12.964 1.00 0.00 O ATOM 0 H TYR A 438 -1.233 0.655 -9.140 1.00 0.00 H new ATOM 0 HA TYR A 438 -3.501 0.776 -7.235 1.00 0.00 H new ATOM 0 HB2 TYR A 438 -2.246 -1.374 -9.039 1.00 0.00 H new ATOM 0 HB3 TYR A 438 -3.701 -1.606 -8.089 1.00 0.00 H new ATOM 0 HD1 TYR A 438 -2.324 0.630 -10.760 1.00 0.00 H new ATOM 0 HD2 TYR A 438 -5.775 -1.223 -9.084 1.00 0.00 H new ATOM 0 HE1 TYR A 438 -3.728 1.484 -12.688 1.00 0.00 H new ATOM 0 HE2 TYR A 438 -7.167 -0.366 -11.018 1.00 0.00 H new ATOM 0 HH TYR A 438 -7.180 0.760 -12.851 1.00 0.00 H new ATOM 291 N ILE A 439 -2.610 -0.755 -5.472 1.00 0.00 N ATOM 292 CA ILE A 439 -1.999 -1.377 -4.310 1.00 0.00 C ATOM 293 C ILE A 439 -2.818 -2.604 -3.903 1.00 0.00 C ATOM 294 O ILE A 439 -4.012 -2.495 -3.631 1.00 0.00 O ATOM 295 CB ILE A 439 -1.823 -0.355 -3.185 1.00 0.00 C ATOM 296 CG1 ILE A 439 -0.782 -0.831 -2.170 1.00 0.00 C ATOM 297 CG2 ILE A 439 -3.164 -0.033 -2.522 1.00 0.00 C ATOM 298 CD1 ILE A 439 -0.739 0.095 -0.952 1.00 0.00 C ATOM 0 H ILE A 439 -3.617 -0.609 -5.398 1.00 0.00 H new ATOM 0 HA ILE A 439 -0.996 -1.728 -4.550 1.00 0.00 H new ATOM 0 HB ILE A 439 -1.448 0.571 -3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -1.018 -1.846 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 439 0.201 -0.865 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -3.011 0.696 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -3.847 0.379 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -3.591 -0.944 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 439 0.009 -0.266 -0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -0.479 1.104 -1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -1.716 0.107 -0.470 1.00 0.00 H new ATOM 310 N HIS A 440 -2.143 -3.744 -3.875 1.00 0.00 N ATOM 311 CA HIS A 440 -2.793 -4.990 -3.507 1.00 0.00 C ATOM 312 C HIS A 440 -2.628 -5.231 -2.006 1.00 0.00 C ATOM 313 O HIS A 440 -1.508 -5.358 -1.513 1.00 0.00 O ATOM 314 CB HIS A 440 -2.266 -6.149 -4.355 1.00 0.00 C ATOM 315 CG HIS A 440 -3.236 -7.297 -4.497 1.00 0.00 C ATOM 316 ND1 HIS A 440 -4.577 -7.190 -4.172 1.00 0.00 N ATOM 317 CD2 HIS A 440 -3.047 -8.576 -4.932 1.00 0.00 C ATOM 318 CE1 HIS A 440 -5.159 -8.357 -4.405 1.00 0.00 C ATOM 319 NE2 HIS A 440 -4.208 -9.215 -4.875 1.00 0.00 N ATOM 0 H HIS A 440 -1.152 -3.831 -4.101 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.861 -4.922 -3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.014 -5.775 -5.347 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -1.342 -6.520 -3.911 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.110 -8.997 -5.266 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -6.202 -8.588 -4.250 1.00 0.00 H new ATOM 0 HE2 HIS A 440 -4.364 -10.188 -5.139 1.00 0.00 H new ATOM 327 N TYR A 441 -3.760 -5.286 -1.320 1.00 0.00 N ATOM 328 CA TYR A 441 -3.755 -5.509 0.116 1.00 0.00 C ATOM 329 C TYR A 441 -4.668 -6.678 0.493 1.00 0.00 C ATOM 330 O TYR A 441 -5.643 -6.958 -0.203 1.00 0.00 O ATOM 331 CB TYR A 441 -4.304 -4.226 0.744 1.00 0.00 C ATOM 332 CG TYR A 441 -5.788 -3.982 0.463 1.00 0.00 C ATOM 333 CD1 TYR A 441 -6.742 -4.809 1.020 1.00 0.00 C ATOM 334 CD2 TYR A 441 -6.173 -2.933 -0.348 1.00 0.00 C ATOM 335 CE1 TYR A 441 -8.138 -4.579 0.755 1.00 0.00 C ATOM 336 CE2 TYR A 441 -7.569 -2.703 -0.613 1.00 0.00 C ATOM 337 CZ TYR A 441 -8.483 -3.537 -0.048 1.00 0.00 C ATOM 338 OH TYR A 441 -9.802 -3.319 -0.298 1.00 0.00 O ATOM 0 H TYR A 441 -4.687 -5.180 -1.732 1.00 0.00 H new ATOM 0 HA TYR A 441 -2.750 -5.748 0.463 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -4.151 -4.267 1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -3.730 -3.377 0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 441 -6.441 -5.629 1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 441 -5.427 -2.285 -0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 441 -8.894 -5.219 1.184 1.00 0.00 H new ATOM 0 HE2 TYR A 441 -7.884 -1.887 -1.246 1.00 0.00 H new ATOM 0 HH TYR A 441 -9.899 -2.541 -0.886 1.00 0.00 H new ATOM 348 N ARG A 442 -4.318 -7.330 1.592 1.00 0.00 N ATOM 349 CA ARG A 442 -5.093 -8.463 2.069 1.00 0.00 C ATOM 350 C ARG A 442 -4.934 -8.615 3.583 1.00 0.00 C ATOM 351 O ARG A 442 -3.815 -8.690 4.088 1.00 0.00 O ATOM 352 CB ARG A 442 -4.654 -9.758 1.384 1.00 0.00 C ATOM 353 CG ARG A 442 -5.081 -10.981 2.198 1.00 0.00 C ATOM 354 CD ARG A 442 -4.565 -12.272 1.560 1.00 0.00 C ATOM 355 NE ARG A 442 -3.854 -13.087 2.570 1.00 0.00 N ATOM 356 CZ ARG A 442 -3.367 -14.325 2.338 1.00 0.00 C ATOM 357 NH1 ARG A 442 -3.509 -14.901 1.126 1.00 0.00 N ATOM 358 NH2 ARG A 442 -2.749 -14.962 3.315 1.00 0.00 N ATOM 0 H ARG A 442 -3.508 -7.095 2.166 1.00 0.00 H new ATOM 0 HA ARG A 442 -6.139 -8.275 1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.089 -9.811 0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -3.571 -9.759 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -4.699 -10.896 3.215 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.168 -11.015 2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -5.397 -12.839 1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -3.895 -12.036 0.734 1.00 0.00 H new ATOM 0 HE ARG A 442 -3.724 -12.689 3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -3.987 -14.401 0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -3.138 -15.836 0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -2.645 -14.518 4.228 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -2.375 -15.898 3.157 1.00 0.00 H new ATOM 371 N PRO A 443 -6.099 -8.658 4.282 1.00 0.00 N ATOM 372 CA PRO A 443 -6.100 -8.800 5.728 1.00 0.00 C ATOM 373 C PRO A 443 -5.761 -10.235 6.138 1.00 0.00 C ATOM 374 O PRO A 443 -6.295 -11.188 5.572 1.00 0.00 O ATOM 375 CB PRO A 443 -7.491 -8.370 6.165 1.00 0.00 C ATOM 376 CG PRO A 443 -8.361 -8.448 4.921 1.00 0.00 C ATOM 377 CD PRO A 443 -7.443 -8.572 3.717 1.00 0.00 C ATOM 0 HA PRO A 443 -5.339 -8.188 6.211 1.00 0.00 H new ATOM 0 HB2 PRO A 443 -7.873 -9.022 6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 443 -7.478 -7.358 6.570 1.00 0.00 H new ATOM 0 HG2 PRO A 443 -9.033 -9.304 4.978 1.00 0.00 H new ATOM 0 HG3 PRO A 443 -8.985 -7.558 4.835 1.00 0.00 H new ATOM 0 HD2 PRO A 443 -7.682 -9.457 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 443 -7.540 -7.711 3.055 1.00 0.00 H new ATOM 385 N ALA A 444 -4.877 -10.343 7.119 1.00 0.00 N ATOM 386 CA ALA A 444 -4.461 -11.645 7.611 1.00 0.00 C ATOM 387 C ALA A 444 -5.697 -12.457 8.001 1.00 0.00 C ATOM 388 O ALA A 444 -6.269 -12.248 9.070 1.00 0.00 O ATOM 389 CB ALA A 444 -3.489 -11.463 8.779 1.00 0.00 C ATOM 0 H ALA A 444 -4.437 -9.550 7.586 1.00 0.00 H new ATOM 0 HA ALA A 444 -3.935 -12.199 6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 444 -3.177 -12.440 9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 444 -2.615 -10.906 8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 444 -3.982 -10.913 9.580 1.00 0.00 H new ATOM 395 N GLY A 445 -6.073 -13.366 7.114 1.00 0.00 N ATOM 396 CA GLY A 445 -7.232 -14.210 7.353 1.00 0.00 C ATOM 397 C GLY A 445 -8.408 -13.790 6.469 1.00 0.00 C ATOM 398 O GLY A 445 -9.511 -14.316 6.606 1.00 0.00 O ATOM 0 H GLY A 445 -5.596 -13.537 6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -6.976 -15.251 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -7.521 -14.148 8.402 1.00 0.00 H new ATOM 402 N GLY A 446 -8.132 -12.845 5.582 1.00 0.00 N ATOM 403 CA GLY A 446 -9.153 -12.348 4.677 1.00 0.00 C ATOM 404 C GLY A 446 -8.871 -12.785 3.238 1.00 0.00 C ATOM 405 O GLY A 446 -8.260 -13.828 3.011 1.00 0.00 O ATOM 0 H GLY A 446 -7.216 -12.411 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -10.130 -12.717 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -9.192 -11.260 4.729 1.00 0.00 H new ATOM 409 N SER A 447 -9.328 -11.964 2.303 1.00 0.00 N ATOM 410 CA SER A 447 -9.132 -12.253 0.893 1.00 0.00 C ATOM 411 C SER A 447 -8.377 -11.104 0.223 1.00 0.00 C ATOM 412 O SER A 447 -8.313 -10.000 0.763 1.00 0.00 O ATOM 413 CB SER A 447 -10.470 -12.491 0.189 1.00 0.00 C ATOM 414 OG SER A 447 -11.519 -12.765 1.113 1.00 0.00 O ATOM 0 H SER A 447 -9.833 -11.099 2.495 1.00 0.00 H new ATOM 0 HA SER A 447 -8.541 -13.165 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 447 -10.729 -11.613 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 447 -10.371 -13.326 -0.505 1.00 0.00 H new ATOM 0 HG SER A 447 -12.356 -12.909 0.624 1.00 0.00 H new ATOM 420 N TRP A 448 -7.823 -11.402 -0.943 1.00 0.00 N ATOM 421 CA TRP A 448 -7.074 -10.407 -1.691 1.00 0.00 C ATOM 422 C TRP A 448 -8.076 -9.474 -2.374 1.00 0.00 C ATOM 423 O TRP A 448 -9.219 -9.858 -2.619 1.00 0.00 O ATOM 424 CB TRP A 448 -6.110 -11.073 -2.676 1.00 0.00 C ATOM 425 CG TRP A 448 -4.757 -11.446 -2.067 1.00 0.00 C ATOM 426 CD1 TRP A 448 -4.284 -12.670 -1.795 1.00 0.00 C ATOM 427 CD2 TRP A 448 -3.715 -10.533 -1.664 1.00 0.00 C ATOM 428 NE1 TRP A 448 -3.019 -12.613 -1.248 1.00 0.00 N ATOM 429 CE2 TRP A 448 -2.661 -11.272 -1.166 1.00 0.00 C ATOM 430 CE3 TRP A 448 -3.664 -9.129 -1.719 1.00 0.00 C ATOM 431 CZ2 TRP A 448 -1.480 -10.695 -0.684 1.00 0.00 C ATOM 432 CZ3 TRP A 448 -2.477 -8.567 -1.233 1.00 0.00 C ATOM 433 CH2 TRP A 448 -1.407 -9.297 -0.728 1.00 0.00 C ATOM 0 H TRP A 448 -7.878 -12.318 -1.388 1.00 0.00 H new ATOM 0 HA TRP A 448 -6.447 -9.815 -1.024 1.00 0.00 H new ATOM 0 HB2 TRP A 448 -6.578 -11.973 -3.074 1.00 0.00 H new ATOM 0 HB3 TRP A 448 -5.945 -10.401 -3.518 1.00 0.00 H new ATOM 0 HD1 TRP A 448 -4.825 -13.586 -1.981 1.00 0.00 H new ATOM 0 HE1 TRP A 448 -2.451 -13.408 -0.957 1.00 0.00 H new ATOM 0 HE3 TRP A 448 -4.476 -8.531 -2.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 -0.669 -11.295 -0.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 -2.386 -7.491 -1.252 1.00 0.00 H new ATOM 0 HH2 TRP A 448 -0.524 -8.788 -0.371 1.00 0.00 H new ATOM 444 N THR A 449 -7.613 -8.267 -2.662 1.00 0.00 N ATOM 445 CA THR A 449 -8.455 -7.277 -3.311 1.00 0.00 C ATOM 446 C THR A 449 -8.600 -7.594 -4.800 1.00 0.00 C ATOM 447 O THR A 449 -8.107 -8.618 -5.272 1.00 0.00 O ATOM 448 CB THR A 449 -7.855 -5.896 -3.039 1.00 0.00 C ATOM 449 OG1 THR A 449 -7.219 -6.036 -1.772 1.00 0.00 O ATOM 450 CG2 THR A 449 -8.926 -4.829 -2.803 1.00 0.00 C ATOM 0 H THR A 449 -6.665 -7.952 -2.458 1.00 0.00 H new ATOM 0 HA THR A 449 -9.468 -7.293 -2.908 1.00 0.00 H new ATOM 0 HB THR A 449 -7.228 -5.601 -3.880 1.00 0.00 H new ATOM 0 HG1 THR A 449 -7.541 -5.337 -1.165 1.00 0.00 H new ATOM 0 HG21 THR A 449 -8.447 -3.868 -2.615 1.00 0.00 H new ATOM 0 HG22 THR A 449 -9.562 -4.751 -3.685 1.00 0.00 H new ATOM 0 HG23 THR A 449 -9.533 -5.107 -1.941 1.00 0.00 H new ATOM 458 N ALA A 450 -9.280 -6.698 -5.500 1.00 0.00 N ATOM 459 CA ALA A 450 -9.497 -6.870 -6.926 1.00 0.00 C ATOM 460 C ALA A 450 -8.231 -6.462 -7.683 1.00 0.00 C ATOM 461 O ALA A 450 -8.047 -5.290 -8.007 1.00 0.00 O ATOM 462 CB ALA A 450 -10.721 -6.059 -7.358 1.00 0.00 C ATOM 0 H ALA A 450 -9.688 -5.850 -5.106 1.00 0.00 H new ATOM 0 HA ALA A 450 -9.699 -7.915 -7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 450 -10.884 -6.188 -8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 450 -11.599 -6.407 -6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 450 -10.553 -5.004 -7.141 1.00 0.00 H new ATOM 468 N ALA A 451 -7.391 -7.453 -7.943 1.00 0.00 N ATOM 469 CA ALA A 451 -6.147 -7.213 -8.655 1.00 0.00 C ATOM 470 C ALA A 451 -6.452 -6.521 -9.986 1.00 0.00 C ATOM 471 O ALA A 451 -7.421 -6.866 -10.661 1.00 0.00 O ATOM 472 CB ALA A 451 -5.402 -8.536 -8.843 1.00 0.00 C ATOM 0 H ALA A 451 -7.547 -8.424 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 451 -5.497 -6.552 -8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 451 -4.469 -8.356 -9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 451 -5.184 -8.972 -7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 451 -6.022 -9.224 -9.418 1.00 0.00 H new ATOM 478 N PRO A 452 -5.586 -5.532 -10.331 1.00 0.00 N ATOM 479 CA PRO A 452 -4.465 -5.186 -9.474 1.00 0.00 C ATOM 480 C PRO A 452 -4.933 -4.395 -8.250 1.00 0.00 C ATOM 481 O PRO A 452 -5.503 -3.314 -8.386 1.00 0.00 O ATOM 482 CB PRO A 452 -3.518 -4.397 -10.363 1.00 0.00 C ATOM 483 CG PRO A 452 -4.349 -3.932 -11.548 1.00 0.00 C ATOM 484 CD PRO A 452 -5.650 -4.719 -11.542 1.00 0.00 C ATOM 0 HA PRO A 452 -3.966 -6.063 -9.062 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -3.094 -3.548 -9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -2.683 -5.016 -10.691 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -4.549 -2.863 -11.478 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -3.809 -4.095 -12.481 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -6.514 -4.055 -11.528 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -5.740 -5.341 -12.432 1.00 0.00 H new ATOM 492 N GLY A 453 -4.676 -4.967 -7.083 1.00 0.00 N ATOM 493 CA GLY A 453 -5.065 -4.329 -5.836 1.00 0.00 C ATOM 494 C GLY A 453 -6.160 -3.286 -6.072 1.00 0.00 C ATOM 495 O GLY A 453 -7.106 -3.532 -6.819 1.00 0.00 O ATOM 0 H GLY A 453 -4.204 -5.864 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -5.421 -5.083 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -4.197 -3.853 -5.380 1.00 0.00 H new ATOM 499 N VAL A 454 -5.995 -2.144 -5.420 1.00 0.00 N ATOM 500 CA VAL A 454 -6.957 -1.064 -5.549 1.00 0.00 C ATOM 501 C VAL A 454 -6.213 0.246 -5.820 1.00 0.00 C ATOM 502 O VAL A 454 -5.205 0.535 -5.179 1.00 0.00 O ATOM 503 CB VAL A 454 -7.843 -1.001 -4.303 1.00 0.00 C ATOM 504 CG1 VAL A 454 -7.195 -0.146 -3.212 1.00 0.00 C ATOM 505 CG2 VAL A 454 -9.240 -0.482 -4.650 1.00 0.00 C ATOM 0 H VAL A 454 -5.209 -1.944 -4.801 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.621 -1.243 -6.395 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.949 -2.014 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.845 -0.118 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.233 -0.577 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -7.044 0.867 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -9.850 -0.447 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.161 0.519 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.706 -1.148 -5.377 1.00 0.00 H new ATOM 515 N LYS A 455 -6.740 1.002 -6.772 1.00 0.00 N ATOM 516 CA LYS A 455 -6.139 2.274 -7.136 1.00 0.00 C ATOM 517 C LYS A 455 -6.000 3.144 -5.886 1.00 0.00 C ATOM 518 O LYS A 455 -6.994 3.644 -5.360 1.00 0.00 O ATOM 519 CB LYS A 455 -6.932 2.938 -8.264 1.00 0.00 C ATOM 520 CG LYS A 455 -6.355 4.314 -8.602 1.00 0.00 C ATOM 521 CD LYS A 455 -7.358 5.147 -9.403 1.00 0.00 C ATOM 522 CE LYS A 455 -8.440 5.729 -8.490 1.00 0.00 C ATOM 523 NZ LYS A 455 -9.534 6.319 -9.294 1.00 0.00 N ATOM 0 H LYS A 455 -7.576 0.758 -7.302 1.00 0.00 H new ATOM 0 HA LYS A 455 -5.135 2.122 -7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -6.912 2.303 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -7.976 3.040 -7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -6.093 4.838 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -5.435 4.196 -9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -6.837 5.955 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -7.820 4.527 -10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -8.837 4.947 -7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -8.006 6.490 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -10.260 6.709 -8.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -9.153 7.079 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -9.959 5.584 -9.895 1.00 0.00 H new ATOM 536 N MET A 456 -4.760 3.300 -5.447 1.00 0.00 N ATOM 537 CA MET A 456 -4.479 4.101 -4.268 1.00 0.00 C ATOM 538 C MET A 456 -5.078 5.503 -4.402 1.00 0.00 C ATOM 539 O MET A 456 -4.832 6.195 -5.388 1.00 0.00 O ATOM 540 CB MET A 456 -2.965 4.209 -4.073 1.00 0.00 C ATOM 541 CG MET A 456 -2.424 3.004 -3.301 1.00 0.00 C ATOM 542 SD MET A 456 -0.645 3.098 -3.191 1.00 0.00 S ATOM 543 CE MET A 456 -0.449 3.189 -1.419 1.00 0.00 C ATOM 0 H MET A 456 -3.938 2.885 -5.887 1.00 0.00 H new ATOM 0 HA MET A 456 -4.932 3.614 -3.404 1.00 0.00 H new ATOM 0 HB2 MET A 456 -2.473 4.274 -5.044 1.00 0.00 H new ATOM 0 HB3 MET A 456 -2.729 5.127 -3.534 1.00 0.00 H new ATOM 0 HG2 MET A 456 -2.857 2.978 -2.301 1.00 0.00 H new ATOM 0 HG3 MET A 456 -2.717 2.080 -3.800 1.00 0.00 H new ATOM 0 HE1 MET A 456 0.465 2.672 -1.127 1.00 0.00 H new ATOM 0 HE2 MET A 456 -0.389 4.233 -1.113 1.00 0.00 H new ATOM 0 HE3 MET A 456 -1.303 2.717 -0.934 1.00 0.00 H new ATOM 553 N GLN A 457 -5.852 5.879 -3.394 1.00 0.00 N ATOM 554 CA GLN A 457 -6.488 7.185 -3.388 1.00 0.00 C ATOM 555 C GLN A 457 -5.443 8.286 -3.577 1.00 0.00 C ATOM 556 O GLN A 457 -4.244 8.013 -3.588 1.00 0.00 O ATOM 557 CB GLN A 457 -7.284 7.401 -2.099 1.00 0.00 C ATOM 558 CG GLN A 457 -8.100 6.157 -1.743 1.00 0.00 C ATOM 559 CD GLN A 457 -9.265 6.511 -0.817 1.00 0.00 C ATOM 560 OE1 GLN A 457 -9.844 7.583 -0.888 1.00 0.00 O ATOM 561 NE2 GLN A 457 -9.575 5.554 0.053 1.00 0.00 N ATOM 0 H GLN A 457 -6.053 5.302 -2.577 1.00 0.00 H new ATOM 0 HA GLN A 457 -7.189 7.229 -4.222 1.00 0.00 H new ATOM 0 HB2 GLN A 457 -6.603 7.639 -1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 457 -7.950 8.255 -2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 457 -8.482 5.696 -2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 457 -7.457 5.422 -1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 457 -9.049 4.680 0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 457 -10.339 5.694 0.715 1.00 0.00 H new ATOM 570 N ASP A 458 -5.936 9.508 -3.722 1.00 0.00 N ATOM 571 CA ASP A 458 -5.059 10.651 -3.912 1.00 0.00 C ATOM 572 C ASP A 458 -4.582 11.154 -2.547 1.00 0.00 C ATOM 573 O ASP A 458 -5.371 11.253 -1.609 1.00 0.00 O ATOM 574 CB ASP A 458 -5.792 11.798 -4.609 1.00 0.00 C ATOM 575 CG ASP A 458 -7.066 11.393 -5.355 1.00 0.00 C ATOM 576 OD1 ASP A 458 -7.056 10.465 -6.177 1.00 0.00 O ATOM 577 OD2 ASP A 458 -8.114 12.084 -5.058 1.00 0.00 O ATOM 0 H ASP A 458 -6.931 9.731 -3.712 1.00 0.00 H new ATOM 0 HA ASP A 458 -4.219 10.333 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 458 -6.049 12.551 -3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -5.109 12.269 -5.316 1.00 0.00 H new ATOM 583 N ALA A 459 -3.295 11.458 -2.481 1.00 0.00 N ATOM 584 CA ALA A 459 -2.704 11.948 -1.248 1.00 0.00 C ATOM 585 C ALA A 459 -2.293 13.411 -1.430 1.00 0.00 C ATOM 586 O ALA A 459 -1.383 13.712 -2.201 1.00 0.00 O ATOM 587 CB ALA A 459 -1.524 11.055 -0.857 1.00 0.00 C ATOM 0 H ALA A 459 -2.644 11.374 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 459 -3.427 11.908 -0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -1.080 11.423 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 459 -1.874 10.033 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 459 -0.776 11.072 -1.650 1.00 0.00 H new ATOM 593 N GLU A 460 -2.983 14.280 -0.707 1.00 0.00 N ATOM 594 CA GLU A 460 -2.702 15.704 -0.779 1.00 0.00 C ATOM 595 C GLU A 460 -1.344 16.010 -0.143 1.00 0.00 C ATOM 596 O GLU A 460 -0.765 17.067 -0.385 1.00 0.00 O ATOM 597 CB GLU A 460 -3.814 16.517 -0.115 1.00 0.00 C ATOM 598 CG GLU A 460 -3.720 16.434 1.409 1.00 0.00 C ATOM 599 CD GLU A 460 -4.874 17.189 2.073 1.00 0.00 C ATOM 600 OE1 GLU A 460 -4.647 18.219 2.724 1.00 0.00 O ATOM 601 OE2 GLU A 460 -6.040 16.670 1.891 1.00 0.00 O ATOM 0 H GLU A 460 -3.736 14.026 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 460 -2.663 15.994 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.746 17.558 -0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.785 16.147 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.737 15.390 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.769 16.851 1.741 1.00 0.00 H new ATOM 609 N ILE A 461 -0.877 15.065 0.660 1.00 0.00 N ATOM 610 CA ILE A 461 0.401 15.220 1.333 1.00 0.00 C ATOM 611 C ILE A 461 1.332 16.068 0.464 1.00 0.00 C ATOM 612 O ILE A 461 1.984 16.986 0.958 1.00 0.00 O ATOM 613 CB ILE A 461 0.981 13.854 1.704 1.00 0.00 C ATOM 614 CG1 ILE A 461 0.500 13.410 3.087 1.00 0.00 C ATOM 615 CG2 ILE A 461 2.508 13.860 1.603 1.00 0.00 C ATOM 616 CD1 ILE A 461 -0.125 12.015 3.029 1.00 0.00 C ATOM 0 H ILE A 461 -1.361 14.190 0.859 1.00 0.00 H new ATOM 0 HA ILE A 461 0.272 15.752 2.275 1.00 0.00 H new ATOM 0 HB ILE A 461 0.614 13.122 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 461 1.338 13.408 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 461 -0.230 14.124 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 461 2.894 12.877 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 461 2.804 14.099 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 461 2.915 14.608 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 461 -0.458 11.724 4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 461 -0.978 12.026 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 461 0.615 11.299 2.671 1.00 0.00 H new ATOM 628 N SER A 462 1.363 15.730 -0.817 1.00 0.00 N ATOM 629 CA SER A 462 2.203 16.448 -1.760 1.00 0.00 C ATOM 630 C SER A 462 2.560 15.541 -2.940 1.00 0.00 C ATOM 631 O SER A 462 3.735 15.297 -3.207 1.00 0.00 O ATOM 632 CB SER A 462 3.475 16.963 -1.084 1.00 0.00 C ATOM 633 OG SER A 462 3.333 18.307 -0.631 1.00 0.00 O ATOM 0 H SER A 462 0.820 14.968 -1.224 1.00 0.00 H new ATOM 0 HA SER A 462 1.645 17.309 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 462 3.722 16.320 -0.239 1.00 0.00 H new ATOM 0 HB3 SER A 462 4.308 16.903 -1.785 1.00 0.00 H new ATOM 0 HG SER A 462 2.768 18.324 0.169 1.00 0.00 H new ATOM 639 N GLY A 463 1.523 15.067 -3.615 1.00 0.00 N ATOM 640 CA GLY A 463 1.711 14.192 -4.759 1.00 0.00 C ATOM 641 C GLY A 463 1.977 12.753 -4.312 1.00 0.00 C ATOM 642 O GLY A 463 2.972 12.150 -4.709 1.00 0.00 O ATOM 0 H GLY A 463 0.549 15.273 -3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 463 0.825 14.221 -5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 463 2.546 14.550 -5.361 1.00 0.00 H new ATOM 646 N TYR A 464 1.069 12.246 -3.492 1.00 0.00 N ATOM 647 CA TYR A 464 1.192 10.889 -2.986 1.00 0.00 C ATOM 648 C TYR A 464 -0.129 10.130 -3.124 1.00 0.00 C ATOM 649 O TYR A 464 -1.099 10.658 -3.666 1.00 0.00 O ATOM 650 CB TYR A 464 1.537 11.023 -1.501 1.00 0.00 C ATOM 651 CG TYR A 464 3.036 10.957 -1.202 1.00 0.00 C ATOM 652 CD1 TYR A 464 3.899 11.851 -1.803 1.00 0.00 C ATOM 653 CD2 TYR A 464 3.525 10.005 -0.331 1.00 0.00 C ATOM 654 CE1 TYR A 464 5.310 11.789 -1.522 1.00 0.00 C ATOM 655 CE2 TYR A 464 4.936 9.944 -0.049 1.00 0.00 C ATOM 656 CZ TYR A 464 5.759 10.839 -0.659 1.00 0.00 C ATOM 657 OH TYR A 464 7.091 10.781 -0.393 1.00 0.00 O ATOM 0 H TYR A 464 0.245 12.750 -3.165 1.00 0.00 H new ATOM 0 HA TYR A 464 1.950 10.339 -3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 464 1.145 11.970 -1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 464 1.031 10.231 -0.948 1.00 0.00 H new ATOM 0 HD1 TYR A 464 3.516 12.597 -2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 464 2.850 9.306 0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 464 5.996 12.482 -1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 464 5.332 9.204 0.631 1.00 0.00 H new ATOM 0 HH TYR A 464 7.267 10.055 0.241 1.00 0.00 H new ATOM 667 N ALA A 465 -0.124 8.903 -2.625 1.00 0.00 N ATOM 668 CA ALA A 465 -1.310 8.065 -2.686 1.00 0.00 C ATOM 669 C ALA A 465 -1.652 7.569 -1.280 1.00 0.00 C ATOM 670 O ALA A 465 -0.767 7.417 -0.439 1.00 0.00 O ATOM 671 CB ALA A 465 -1.073 6.916 -3.668 1.00 0.00 C ATOM 0 H ALA A 465 0.683 8.469 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 465 -2.164 8.635 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -1.962 6.287 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -0.863 7.321 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -0.224 6.320 -3.333 1.00 0.00 H new ATOM 677 N LYS A 466 -2.938 7.329 -1.068 1.00 0.00 N ATOM 678 CA LYS A 466 -3.408 6.854 0.222 1.00 0.00 C ATOM 679 C LYS A 466 -4.368 5.681 0.010 1.00 0.00 C ATOM 680 O LYS A 466 -5.078 5.630 -0.993 1.00 0.00 O ATOM 681 CB LYS A 466 -4.011 8.004 1.030 1.00 0.00 C ATOM 682 CG LYS A 466 -2.993 9.129 1.227 1.00 0.00 C ATOM 683 CD LYS A 466 -3.694 10.460 1.507 1.00 0.00 C ATOM 684 CE LYS A 466 -4.371 10.445 2.879 1.00 0.00 C ATOM 685 NZ LYS A 466 -5.015 11.749 3.153 1.00 0.00 N ATOM 0 H LYS A 466 -3.669 7.455 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.574 6.481 0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.891 8.391 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.344 7.636 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.329 8.882 2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.371 9.222 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.969 11.273 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -4.437 10.654 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -5.116 9.650 2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.634 10.227 3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.470 11.722 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -4.296 12.501 3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.732 11.942 2.425 1.00 0.00 H new ATOM 698 N ILE A 467 -4.358 4.769 0.970 1.00 0.00 N ATOM 699 CA ILE A 467 -5.219 3.600 0.901 1.00 0.00 C ATOM 700 C ILE A 467 -5.555 3.135 2.319 1.00 0.00 C ATOM 701 O ILE A 467 -4.680 3.082 3.182 1.00 0.00 O ATOM 702 CB ILE A 467 -4.580 2.515 0.032 1.00 0.00 C ATOM 703 CG1 ILE A 467 -5.581 1.968 -0.987 1.00 0.00 C ATOM 704 CG2 ILE A 467 -3.978 1.405 0.897 1.00 0.00 C ATOM 705 CD1 ILE A 467 -6.599 1.044 -0.315 1.00 0.00 C ATOM 0 H ILE A 467 -3.767 4.815 1.800 1.00 0.00 H new ATOM 0 HA ILE A 467 -6.163 3.849 0.416 1.00 0.00 H new ATOM 0 HB ILE A 467 -3.762 2.965 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -6.100 2.795 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -5.050 1.423 -1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -3.530 0.646 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -3.213 1.826 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -4.762 0.951 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -7.299 0.669 -1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -6.079 0.205 0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -7.145 1.598 0.448 1.00 0.00 H new ATOM 717 N THR A 468 -6.824 2.809 2.516 1.00 0.00 N ATOM 718 CA THR A 468 -7.286 2.350 3.814 1.00 0.00 C ATOM 719 C THR A 468 -7.936 0.970 3.692 1.00 0.00 C ATOM 720 O THR A 468 -8.823 0.768 2.864 1.00 0.00 O ATOM 721 CB THR A 468 -8.225 3.415 4.385 1.00 0.00 C ATOM 722 OG1 THR A 468 -7.655 4.647 3.953 1.00 0.00 O ATOM 723 CG2 THR A 468 -8.164 3.491 5.912 1.00 0.00 C ATOM 0 H THR A 468 -7.547 2.854 1.798 1.00 0.00 H new ATOM 0 HA THR A 468 -6.455 2.223 4.507 1.00 0.00 H new ATOM 0 HB THR A 468 -9.248 3.203 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 468 -8.202 5.392 4.278 1.00 0.00 H new ATOM 0 HG21 THR A 468 -8.849 4.262 6.266 1.00 0.00 H new ATOM 0 HG22 THR A 468 -8.451 2.529 6.336 1.00 0.00 H new ATOM 0 HG23 THR A 468 -7.149 3.737 6.224 1.00 0.00 H new ATOM 731 N VAL A 469 -7.468 0.055 4.529 1.00 0.00 N ATOM 732 CA VAL A 469 -7.992 -1.300 4.525 1.00 0.00 C ATOM 733 C VAL A 469 -8.254 -1.746 5.965 1.00 0.00 C ATOM 734 O VAL A 469 -7.383 -1.621 6.825 1.00 0.00 O ATOM 735 CB VAL A 469 -7.034 -2.229 3.776 1.00 0.00 C ATOM 736 CG1 VAL A 469 -7.638 -3.626 3.617 1.00 0.00 C ATOM 737 CG2 VAL A 469 -6.648 -1.640 2.418 1.00 0.00 C ATOM 0 H VAL A 469 -6.732 0.226 5.214 1.00 0.00 H new ATOM 0 HA VAL A 469 -8.944 -1.340 3.995 1.00 0.00 H new ATOM 0 HB VAL A 469 -6.125 -2.323 4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 469 -6.937 -4.267 3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 469 -7.838 -4.050 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 469 -8.569 -3.558 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 469 -5.967 -2.320 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 469 -7.544 -1.502 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 469 -6.158 -0.678 2.565 1.00 0.00 H new ATOM 747 N ASP A 470 -9.456 -2.256 6.183 1.00 0.00 N ATOM 748 CA ASP A 470 -9.844 -2.721 7.505 1.00 0.00 C ATOM 749 C ASP A 470 -9.360 -4.160 7.697 1.00 0.00 C ATOM 750 O ASP A 470 -9.348 -4.946 6.751 1.00 0.00 O ATOM 751 CB ASP A 470 -11.365 -2.707 7.670 1.00 0.00 C ATOM 752 CG ASP A 470 -11.888 -3.445 8.903 1.00 0.00 C ATOM 753 OD1 ASP A 470 -12.185 -2.830 9.938 1.00 0.00 O ATOM 754 OD2 ASP A 470 -11.988 -4.725 8.771 1.00 0.00 O ATOM 0 H ASP A 470 -10.175 -2.358 5.467 1.00 0.00 H new ATOM 0 HA ASP A 470 -9.396 -2.054 8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -11.701 -1.671 7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -11.816 -3.150 6.782 1.00 0.00 H new ATOM 760 N ILE A 471 -8.973 -4.461 8.928 1.00 0.00 N ATOM 761 CA ILE A 471 -8.490 -5.791 9.256 1.00 0.00 C ATOM 762 C ILE A 471 -9.276 -6.334 10.451 1.00 0.00 C ATOM 763 O ILE A 471 -9.617 -7.515 10.489 1.00 0.00 O ATOM 764 CB ILE A 471 -6.975 -5.772 9.473 1.00 0.00 C ATOM 765 CG1 ILE A 471 -6.613 -5.007 10.747 1.00 0.00 C ATOM 766 CG2 ILE A 471 -6.253 -5.215 8.245 1.00 0.00 C ATOM 767 CD1 ILE A 471 -5.139 -5.204 11.105 1.00 0.00 C ATOM 0 H ILE A 471 -8.984 -3.806 9.710 1.00 0.00 H new ATOM 0 HA ILE A 471 -8.661 -6.475 8.425 1.00 0.00 H new ATOM 0 HB ILE A 471 -6.636 -6.799 9.608 1.00 0.00 H new ATOM 0 HG12 ILE A 471 -6.819 -3.946 10.609 1.00 0.00 H new ATOM 0 HG13 ILE A 471 -7.240 -5.348 11.571 1.00 0.00 H new ATOM 0 HG21 ILE A 471 -5.178 -5.212 8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 471 -6.474 -5.839 7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 471 -6.592 -4.197 8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 471 -4.908 -4.649 12.015 1.00 0.00 H new ATOM 0 HD12 ILE A 471 -4.942 -6.264 11.266 1.00 0.00 H new ATOM 0 HD13 ILE A 471 -4.515 -4.839 10.289 1.00 0.00 H new ATOM 779 N GLY A 472 -9.539 -5.446 11.398 1.00 0.00 N ATOM 780 CA GLY A 472 -10.278 -5.821 12.592 1.00 0.00 C ATOM 781 C GLY A 472 -9.919 -7.241 13.035 1.00 0.00 C ATOM 782 O GLY A 472 -8.980 -7.435 13.806 1.00 0.00 O ATOM 0 H GLY A 472 -9.254 -4.467 11.363 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -10.058 -5.119 13.396 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -11.348 -5.757 12.397 1.00 0.00 H new ATOM 786 N SER A 473 -10.684 -8.196 12.528 1.00 0.00 N ATOM 787 CA SER A 473 -10.459 -9.592 12.863 1.00 0.00 C ATOM 788 C SER A 473 -9.009 -9.975 12.559 1.00 0.00 C ATOM 789 O SER A 473 -8.552 -11.050 12.947 1.00 0.00 O ATOM 790 CB SER A 473 -11.420 -10.504 12.098 1.00 0.00 C ATOM 791 OG SER A 473 -12.324 -11.177 12.969 1.00 0.00 O ATOM 0 H SER A 473 -11.461 -8.031 11.888 1.00 0.00 H new ATOM 0 HA SER A 473 -10.648 -9.723 13.929 1.00 0.00 H new ATOM 0 HB2 SER A 473 -11.984 -9.913 11.377 1.00 0.00 H new ATOM 0 HB3 SER A 473 -10.848 -11.239 11.531 1.00 0.00 H new ATOM 0 HG SER A 473 -12.922 -11.748 12.442 1.00 0.00 H new ATOM 797 N ALA A 474 -8.325 -9.076 11.867 1.00 0.00 N ATOM 798 CA ALA A 474 -6.937 -9.306 11.506 1.00 0.00 C ATOM 799 C ALA A 474 -6.046 -8.326 12.273 1.00 0.00 C ATOM 800 O ALA A 474 -6.331 -7.131 12.323 1.00 0.00 O ATOM 801 CB ALA A 474 -6.775 -9.178 9.990 1.00 0.00 C ATOM 0 H ALA A 474 -8.707 -8.186 11.547 1.00 0.00 H new ATOM 0 HA ALA A 474 -6.631 -10.315 11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -5.733 -9.351 9.720 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -7.406 -9.915 9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -7.070 -8.177 9.676 1.00 0.00 H new ATOM 807 N SER A 475 -4.984 -8.869 12.850 1.00 0.00 N ATOM 808 CA SER A 475 -4.050 -8.058 13.612 1.00 0.00 C ATOM 809 C SER A 475 -3.043 -7.396 12.670 1.00 0.00 C ATOM 810 O SER A 475 -2.327 -6.477 13.066 1.00 0.00 O ATOM 811 CB SER A 475 -3.320 -8.898 14.662 1.00 0.00 C ATOM 812 OG SER A 475 -3.543 -8.412 15.983 1.00 0.00 O ATOM 0 H SER A 475 -4.750 -9.861 12.805 1.00 0.00 H new ATOM 0 HA SER A 475 -4.615 -7.285 14.133 1.00 0.00 H new ATOM 0 HB2 SER A 475 -3.655 -9.933 14.595 1.00 0.00 H new ATOM 0 HB3 SER A 475 -2.251 -8.894 14.450 1.00 0.00 H new ATOM 0 HG SER A 475 -3.062 -8.976 16.624 1.00 0.00 H new ATOM 818 N GLN A 476 -3.019 -7.888 11.440 1.00 0.00 N ATOM 819 CA GLN A 476 -2.112 -7.355 10.438 1.00 0.00 C ATOM 820 C GLN A 476 -2.699 -7.541 9.037 1.00 0.00 C ATOM 821 O GLN A 476 -3.622 -8.331 8.847 1.00 0.00 O ATOM 822 CB GLN A 476 -0.732 -8.008 10.545 1.00 0.00 C ATOM 823 CG GLN A 476 0.192 -7.192 11.451 1.00 0.00 C ATOM 824 CD GLN A 476 1.480 -7.960 11.755 1.00 0.00 C ATOM 825 OE1 GLN A 476 1.958 -8.002 12.877 1.00 0.00 O ATOM 826 NE2 GLN A 476 2.012 -8.565 10.697 1.00 0.00 N ATOM 0 H GLN A 476 -3.613 -8.650 11.115 1.00 0.00 H new ATOM 0 HA GLN A 476 -1.988 -6.287 10.620 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -0.834 -9.019 10.939 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.289 -8.096 9.553 1.00 0.00 H new ATOM 0 HG2 GLN A 476 0.434 -6.244 10.970 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -0.323 -6.955 12.382 1.00 0.00 H new ATOM 0 HE21 GLN A 476 1.560 -8.489 9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 476 2.872 -9.105 10.797 1.00 0.00 H new ATOM 835 N LEU A 477 -2.139 -6.800 8.092 1.00 0.00 N ATOM 836 CA LEU A 477 -2.596 -6.872 6.715 1.00 0.00 C ATOM 837 C LEU A 477 -1.389 -6.803 5.778 1.00 0.00 C ATOM 838 O LEU A 477 -0.504 -5.968 5.959 1.00 0.00 O ATOM 839 CB LEU A 477 -3.649 -5.796 6.442 1.00 0.00 C ATOM 840 CG LEU A 477 -3.723 -5.280 5.004 1.00 0.00 C ATOM 841 CD1 LEU A 477 -4.948 -4.384 4.806 1.00 0.00 C ATOM 842 CD2 LEU A 477 -2.426 -4.574 4.606 1.00 0.00 C ATOM 0 H LEU A 477 -1.373 -6.147 8.253 1.00 0.00 H new ATOM 0 HA LEU A 477 -3.092 -7.824 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -4.626 -6.195 6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -3.455 -4.950 7.101 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.839 -6.136 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -4.977 -4.030 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -5.853 -4.952 5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -4.887 -3.530 5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -2.506 -4.217 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -2.253 -3.728 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -1.593 -5.273 4.683 1.00 0.00 H new ATOM 854 N GLU A 478 -1.391 -7.692 4.795 1.00 0.00 N ATOM 855 CA GLU A 478 -0.306 -7.743 3.829 1.00 0.00 C ATOM 856 C GLU A 478 -0.751 -7.130 2.499 1.00 0.00 C ATOM 857 O GLU A 478 -1.796 -7.496 1.962 1.00 0.00 O ATOM 858 CB GLU A 478 0.188 -9.177 3.634 1.00 0.00 C ATOM 859 CG GLU A 478 1.710 -9.256 3.766 1.00 0.00 C ATOM 860 CD GLU A 478 2.166 -10.697 4.002 1.00 0.00 C ATOM 861 OE1 GLU A 478 1.407 -11.505 4.558 1.00 0.00 O ATOM 862 OE2 GLU A 478 3.356 -10.968 3.584 1.00 0.00 O ATOM 0 H GLU A 478 -2.127 -8.383 4.647 1.00 0.00 H new ATOM 0 HA GLU A 478 0.527 -7.157 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 478 -0.279 -9.830 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 478 -0.115 -9.539 2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 478 2.178 -8.866 2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 478 2.040 -8.626 4.592 1.00 0.00 H new ATOM 870 N ALA A 479 0.063 -6.209 2.007 1.00 0.00 N ATOM 871 CA ALA A 479 -0.234 -5.542 0.751 1.00 0.00 C ATOM 872 C ALA A 479 1.070 -5.296 -0.012 1.00 0.00 C ATOM 873 O ALA A 479 2.156 -5.423 0.551 1.00 0.00 O ATOM 874 CB ALA A 479 -0.999 -4.247 1.028 1.00 0.00 C ATOM 0 H ALA A 479 0.929 -5.908 2.455 1.00 0.00 H new ATOM 0 HA ALA A 479 -0.870 -6.169 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 479 -1.221 -3.747 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 479 -1.930 -4.478 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 479 -0.391 -3.592 1.652 1.00 0.00 H new ATOM 880 N ALA A 480 0.919 -4.950 -1.282 1.00 0.00 N ATOM 881 CA ALA A 480 2.071 -4.686 -2.128 1.00 0.00 C ATOM 882 C ALA A 480 1.776 -3.480 -3.022 1.00 0.00 C ATOM 883 O ALA A 480 0.636 -3.024 -3.099 1.00 0.00 O ATOM 884 CB ALA A 480 2.410 -5.941 -2.935 1.00 0.00 C ATOM 0 H ALA A 480 0.016 -4.846 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 480 2.944 -4.442 -1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 480 3.274 -5.743 -3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 480 2.640 -6.760 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 480 1.558 -6.215 -3.557 1.00 0.00 H new ATOM 890 N PHE A 481 2.823 -2.998 -3.674 1.00 0.00 N ATOM 891 CA PHE A 481 2.691 -1.853 -4.559 1.00 0.00 C ATOM 892 C PHE A 481 2.822 -2.275 -6.024 1.00 0.00 C ATOM 893 O PHE A 481 3.596 -3.174 -6.349 1.00 0.00 O ATOM 894 CB PHE A 481 3.828 -0.888 -4.216 1.00 0.00 C ATOM 895 CG PHE A 481 4.257 0.008 -5.379 1.00 0.00 C ATOM 896 CD1 PHE A 481 3.327 0.732 -6.058 1.00 0.00 C ATOM 897 CD2 PHE A 481 5.567 0.080 -5.735 1.00 0.00 C ATOM 898 CE1 PHE A 481 3.725 1.564 -7.138 1.00 0.00 C ATOM 899 CE2 PHE A 481 5.965 0.912 -6.815 1.00 0.00 C ATOM 900 CZ PHE A 481 5.036 1.636 -7.494 1.00 0.00 C ATOM 0 H PHE A 481 3.767 -3.379 -3.607 1.00 0.00 H new ATOM 0 HA PHE A 481 1.712 -1.392 -4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 481 3.517 -0.259 -3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 481 4.689 -1.464 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 481 2.286 0.674 -5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 481 6.305 -0.496 -5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 481 2.987 2.140 -7.677 1.00 0.00 H new ATOM 0 HE2 PHE A 481 7.006 0.970 -7.097 1.00 0.00 H new ATOM 0 HZ PHE A 481 5.339 2.268 -8.316 1.00 0.00 H new ATOM 910 N ASN A 482 2.053 -1.605 -6.870 1.00 0.00 N ATOM 911 CA ASN A 482 2.072 -1.900 -8.293 1.00 0.00 C ATOM 912 C ASN A 482 1.503 -0.707 -9.064 1.00 0.00 C ATOM 913 O ASN A 482 0.488 -0.136 -8.669 1.00 0.00 O ATOM 914 CB ASN A 482 1.213 -3.124 -8.614 1.00 0.00 C ATOM 915 CG ASN A 482 0.006 -3.208 -7.678 1.00 0.00 C ATOM 916 OD1 ASN A 482 0.129 -3.225 -6.464 1.00 0.00 O ATOM 917 ND2 ASN A 482 -1.164 -3.258 -8.308 1.00 0.00 N ATOM 0 H ASN A 482 1.413 -0.859 -6.597 1.00 0.00 H new ATOM 0 HA ASN A 482 3.104 -2.099 -8.582 1.00 0.00 H new ATOM 0 HB2 ASN A 482 0.873 -3.073 -9.648 1.00 0.00 H new ATOM 0 HB3 ASN A 482 1.814 -4.029 -8.521 1.00 0.00 H new ATOM 0 HD21 ASN A 482 -2.030 -3.314 -7.772 1.00 0.00 H new ATOM 0 HD22 ASN A 482 -1.196 -3.240 -9.327 1.00 0.00 H new ATOM 924 N ASP A 483 2.181 -0.367 -10.151 1.00 0.00 N ATOM 925 CA ASP A 483 1.755 0.747 -10.980 1.00 0.00 C ATOM 926 C ASP A 483 0.435 0.391 -11.667 1.00 0.00 C ATOM 927 O ASP A 483 -0.260 1.268 -12.177 1.00 0.00 O ATOM 928 CB ASP A 483 2.787 1.050 -12.068 1.00 0.00 C ATOM 929 CG ASP A 483 3.277 -0.170 -12.852 1.00 0.00 C ATOM 930 OD1 ASP A 483 3.000 -1.320 -12.481 1.00 0.00 O ATOM 931 OD2 ASP A 483 3.980 0.101 -13.899 1.00 0.00 O ATOM 0 H ASP A 483 3.022 -0.844 -10.476 1.00 0.00 H new ATOM 0 HA ASP A 483 1.640 1.620 -10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 483 2.355 1.764 -12.769 1.00 0.00 H new ATOM 0 HB3 ASP A 483 3.647 1.536 -11.607 1.00 0.00 H new ATOM 1097 N ASN A 495 5.574 -9.856 -0.510 1.00 0.00 N ATOM 1098 CA ASN A 495 4.480 -9.015 -0.055 1.00 0.00 C ATOM 1099 C ASN A 495 4.862 -8.365 1.276 1.00 0.00 C ATOM 1100 O ASN A 495 5.567 -8.966 2.085 1.00 0.00 O ATOM 1101 CB ASN A 495 3.209 -9.837 0.167 1.00 0.00 C ATOM 1102 CG ASN A 495 2.146 -9.495 -0.878 1.00 0.00 C ATOM 1103 OD1 ASN A 495 1.621 -8.395 -0.932 1.00 0.00 O ATOM 1104 ND2 ASN A 495 1.857 -10.497 -1.704 1.00 0.00 N ATOM 0 HA ASN A 495 4.293 -8.262 -0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 495 3.445 -10.900 0.116 1.00 0.00 H new ATOM 0 HB3 ASN A 495 2.817 -9.645 1.166 1.00 0.00 H new ATOM 0 HD21 ASN A 495 1.159 -10.369 -2.437 1.00 0.00 H new ATOM 0 HD22 ASN A 495 2.333 -11.393 -1.605 1.00 0.00 H new ATOM 1111 N TYR A 496 4.378 -7.146 1.463 1.00 0.00 N ATOM 1112 CA TYR A 496 4.659 -6.407 2.682 1.00 0.00 C ATOM 1113 C TYR A 496 3.544 -6.602 3.711 1.00 0.00 C ATOM 1114 O TYR A 496 2.378 -6.749 3.347 1.00 0.00 O ATOM 1115 CB TYR A 496 4.714 -4.932 2.279 1.00 0.00 C ATOM 1116 CG TYR A 496 5.865 -4.588 1.332 1.00 0.00 C ATOM 1117 CD1 TYR A 496 7.171 -4.775 1.737 1.00 0.00 C ATOM 1118 CD2 TYR A 496 5.598 -4.091 0.073 1.00 0.00 C ATOM 1119 CE1 TYR A 496 8.255 -4.451 0.846 1.00 0.00 C ATOM 1120 CE2 TYR A 496 6.682 -3.767 -0.818 1.00 0.00 C ATOM 1121 CZ TYR A 496 7.957 -3.963 -0.388 1.00 0.00 C ATOM 1122 OH TYR A 496 8.980 -3.657 -1.229 1.00 0.00 O ATOM 0 H TYR A 496 3.793 -6.651 0.790 1.00 0.00 H new ATOM 0 HA TYR A 496 5.590 -6.751 3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 496 3.772 -4.661 1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 496 4.803 -4.323 3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 496 7.380 -5.164 2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 496 4.576 -3.945 -0.244 1.00 0.00 H new ATOM 0 HE1 TYR A 496 9.281 -4.592 1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 496 6.487 -3.377 -1.806 1.00 0.00 H new ATOM 0 HH TYR A 496 8.634 -3.551 -2.140 1.00 0.00 H new ATOM 1132 N SER A 497 3.940 -6.595 4.975 1.00 0.00 N ATOM 1133 CA SER A 497 2.989 -6.769 6.059 1.00 0.00 C ATOM 1134 C SER A 497 2.970 -5.522 6.944 1.00 0.00 C ATOM 1135 O SER A 497 4.022 -5.010 7.325 1.00 0.00 O ATOM 1136 CB SER A 497 3.324 -8.008 6.893 1.00 0.00 C ATOM 1137 OG SER A 497 2.562 -8.064 8.095 1.00 0.00 O ATOM 0 H SER A 497 4.908 -6.471 5.273 1.00 0.00 H new ATOM 0 HA SER A 497 1.999 -6.914 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 497 3.136 -8.904 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 497 4.386 -8.004 7.137 1.00 0.00 H new ATOM 0 HG SER A 497 1.607 -8.091 7.876 1.00 0.00 H new ATOM 1143 N PHE A 498 1.762 -5.068 7.247 1.00 0.00 N ATOM 1144 CA PHE A 498 1.593 -3.890 8.080 1.00 0.00 C ATOM 1145 C PHE A 498 0.540 -4.132 9.164 1.00 0.00 C ATOM 1146 O PHE A 498 -0.468 -4.793 8.918 1.00 0.00 O ATOM 1147 CB PHE A 498 1.116 -2.760 7.166 1.00 0.00 C ATOM 1148 CG PHE A 498 1.780 -2.753 5.787 1.00 0.00 C ATOM 1149 CD1 PHE A 498 3.112 -2.502 5.675 1.00 0.00 C ATOM 1150 CD2 PHE A 498 1.039 -2.999 4.674 1.00 0.00 C ATOM 1151 CE1 PHE A 498 3.728 -2.495 4.396 1.00 0.00 C ATOM 1152 CE2 PHE A 498 1.655 -2.993 3.395 1.00 0.00 C ATOM 1153 CZ PHE A 498 2.987 -2.741 3.283 1.00 0.00 C ATOM 0 H PHE A 498 0.892 -5.495 6.930 1.00 0.00 H new ATOM 0 HA PHE A 498 2.534 -3.645 8.573 1.00 0.00 H new ATOM 0 HB2 PHE A 498 0.037 -2.841 7.038 1.00 0.00 H new ATOM 0 HB3 PHE A 498 1.308 -1.805 7.655 1.00 0.00 H new ATOM 0 HD1 PHE A 498 3.701 -2.308 6.559 1.00 0.00 H new ATOM 0 HD2 PHE A 498 -0.019 -3.199 4.763 1.00 0.00 H new ATOM 0 HE1 PHE A 498 4.785 -2.294 4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 498 1.066 -3.188 2.511 1.00 0.00 H new ATOM 0 HZ PHE A 498 3.456 -2.736 2.310 1.00 0.00 H new ATOM 1163 N SER A 499 0.809 -3.583 10.339 1.00 0.00 N ATOM 1164 CA SER A 499 -0.102 -3.731 11.461 1.00 0.00 C ATOM 1165 C SER A 499 -0.992 -2.493 11.579 1.00 0.00 C ATOM 1166 O SER A 499 -0.609 -1.405 11.151 1.00 0.00 O ATOM 1167 CB SER A 499 0.663 -3.961 12.766 1.00 0.00 C ATOM 1168 OG SER A 499 2.045 -3.638 12.638 1.00 0.00 O ATOM 0 H SER A 499 1.646 -3.035 10.539 1.00 0.00 H new ATOM 0 HA SER A 499 -0.728 -4.605 11.280 1.00 0.00 H new ATOM 0 HB2 SER A 499 0.221 -3.355 13.557 1.00 0.00 H new ATOM 0 HB3 SER A 499 0.561 -5.003 13.068 1.00 0.00 H new ATOM 0 HG SER A 499 2.498 -3.796 13.492 1.00 0.00 H new ATOM 1174 N THR A 500 -2.164 -2.699 12.162 1.00 0.00 N ATOM 1175 CA THR A 500 -3.112 -1.612 12.341 1.00 0.00 C ATOM 1176 C THR A 500 -2.374 -0.283 12.511 1.00 0.00 C ATOM 1177 O THR A 500 -1.297 -0.238 13.103 1.00 0.00 O ATOM 1178 CB THR A 500 -4.014 -1.962 13.526 1.00 0.00 C ATOM 1179 OG1 THR A 500 -3.102 -2.271 14.577 1.00 0.00 O ATOM 1180 CG2 THR A 500 -4.788 -3.264 13.309 1.00 0.00 C ATOM 0 H THR A 500 -2.479 -3.602 12.516 1.00 0.00 H new ATOM 0 HA THR A 500 -3.742 -1.487 11.460 1.00 0.00 H new ATOM 0 HB THR A 500 -4.717 -1.147 13.700 1.00 0.00 H new ATOM 0 HG1 THR A 500 -3.603 -2.508 15.385 1.00 0.00 H new ATOM 0 HG21 THR A 500 -5.412 -3.466 14.179 1.00 0.00 H new ATOM 0 HG22 THR A 500 -5.418 -3.170 12.425 1.00 0.00 H new ATOM 0 HG23 THR A 500 -4.086 -4.086 13.168 1.00 0.00 H new ATOM 1188 N GLY A 501 -2.983 0.767 11.980 1.00 0.00 N ATOM 1189 CA GLY A 501 -2.397 2.094 12.065 1.00 0.00 C ATOM 1190 C GLY A 501 -2.161 2.680 10.671 1.00 0.00 C ATOM 1191 O GLY A 501 -2.939 2.434 9.751 1.00 0.00 O ATOM 0 H GLY A 501 -3.876 0.726 11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -3.056 2.751 12.633 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -1.453 2.044 12.607 1.00 0.00 H new ATOM 1195 N THR A 502 -1.085 3.444 10.559 1.00 0.00 N ATOM 1196 CA THR A 502 -0.737 4.068 9.294 1.00 0.00 C ATOM 1197 C THR A 502 0.725 3.786 8.944 1.00 0.00 C ATOM 1198 O THR A 502 1.599 3.862 9.807 1.00 0.00 O ATOM 1199 CB THR A 502 -1.062 5.559 9.396 1.00 0.00 C ATOM 1200 OG1 THR A 502 -2.425 5.591 9.809 1.00 0.00 O ATOM 1201 CG2 THR A 502 -1.069 6.252 8.032 1.00 0.00 C ATOM 0 H THR A 502 -0.442 3.645 11.325 1.00 0.00 H new ATOM 0 HA THR A 502 -1.320 3.650 8.474 1.00 0.00 H new ATOM 0 HB THR A 502 -0.334 6.045 10.046 1.00 0.00 H new ATOM 0 HG1 THR A 502 -2.717 6.522 9.901 1.00 0.00 H new ATOM 0 HG21 THR A 502 -1.305 7.308 8.162 1.00 0.00 H new ATOM 0 HG22 THR A 502 -0.087 6.154 7.569 1.00 0.00 H new ATOM 0 HG23 THR A 502 -1.820 5.788 7.392 1.00 0.00 H new ATOM 1209 N SER A 503 0.947 3.468 7.678 1.00 0.00 N ATOM 1210 CA SER A 503 2.289 3.174 7.204 1.00 0.00 C ATOM 1211 C SER A 503 2.581 3.973 5.932 1.00 0.00 C ATOM 1212 O SER A 503 1.675 4.249 5.146 1.00 0.00 O ATOM 1213 CB SER A 503 2.466 1.677 6.943 1.00 0.00 C ATOM 1214 OG SER A 503 1.374 1.131 6.208 1.00 0.00 O ATOM 0 H SER A 503 0.220 3.407 6.965 1.00 0.00 H new ATOM 0 HA SER A 503 2.997 3.466 7.980 1.00 0.00 H new ATOM 0 HB2 SER A 503 3.392 1.512 6.393 1.00 0.00 H new ATOM 0 HB3 SER A 503 2.562 1.152 7.893 1.00 0.00 H new ATOM 0 HG SER A 503 1.525 0.174 6.060 1.00 0.00 H new ATOM 1220 N THR A 504 3.849 4.321 5.768 1.00 0.00 N ATOM 1221 CA THR A 504 4.271 5.083 4.605 1.00 0.00 C ATOM 1222 C THR A 504 5.148 4.222 3.693 1.00 0.00 C ATOM 1223 O THR A 504 6.004 3.478 4.170 1.00 0.00 O ATOM 1224 CB THR A 504 4.970 6.351 5.098 1.00 0.00 C ATOM 1225 OG1 THR A 504 3.912 7.149 5.623 1.00 0.00 O ATOM 1226 CG2 THR A 504 5.537 7.191 3.952 1.00 0.00 C ATOM 0 H THR A 504 4.598 4.089 6.421 1.00 0.00 H new ATOM 0 HA THR A 504 3.417 5.381 3.997 1.00 0.00 H new ATOM 0 HB THR A 504 5.775 6.079 5.781 1.00 0.00 H new ATOM 0 HG1 THR A 504 3.949 7.138 6.602 1.00 0.00 H new ATOM 0 HG21 THR A 504 6.022 8.079 4.357 1.00 0.00 H new ATOM 0 HG22 THR A 504 6.265 6.602 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.728 7.492 3.286 1.00 0.00 H new ATOM 1234 N TYR A 505 4.904 4.351 2.397 1.00 0.00 N ATOM 1235 CA TYR A 505 5.660 3.593 1.414 1.00 0.00 C ATOM 1236 C TYR A 505 6.360 4.526 0.423 1.00 0.00 C ATOM 1237 O TYR A 505 5.713 5.348 -0.224 1.00 0.00 O ATOM 1238 CB TYR A 505 4.636 2.742 0.659 1.00 0.00 C ATOM 1239 CG TYR A 505 5.258 1.652 -0.215 1.00 0.00 C ATOM 1240 CD1 TYR A 505 6.073 1.998 -1.274 1.00 0.00 C ATOM 1241 CD2 TYR A 505 5.004 0.322 0.054 1.00 0.00 C ATOM 1242 CE1 TYR A 505 6.658 0.971 -2.097 1.00 0.00 C ATOM 1243 CE2 TYR A 505 5.589 -0.704 -0.769 1.00 0.00 C ATOM 1244 CZ TYR A 505 6.387 -0.329 -1.804 1.00 0.00 C ATOM 1245 OH TYR A 505 6.940 -1.298 -2.582 1.00 0.00 O ATOM 0 H TYR A 505 4.194 4.969 2.005 1.00 0.00 H new ATOM 0 HA TYR A 505 6.427 2.990 1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 505 3.964 2.276 1.380 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.029 3.394 0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.272 3.038 -1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.366 0.051 0.882 1.00 0.00 H new ATOM 0 HE1 TYR A 505 7.298 1.228 -2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 505 5.398 -1.748 -0.569 1.00 0.00 H new ATOM 0 HH TYR A 505 7.317 -2.000 -2.012 1.00 0.00 H new ATOM 1255 N THR A 506 7.672 4.366 0.336 1.00 0.00 N ATOM 1256 CA THR A 506 8.467 5.184 -0.565 1.00 0.00 C ATOM 1257 C THR A 506 9.367 4.302 -1.431 1.00 0.00 C ATOM 1258 O THR A 506 9.834 3.256 -0.983 1.00 0.00 O ATOM 1259 CB THR A 506 9.241 6.200 0.278 1.00 0.00 C ATOM 1260 OG1 THR A 506 8.272 7.195 0.599 1.00 0.00 O ATOM 1261 CG2 THR A 506 10.294 6.954 -0.536 1.00 0.00 C ATOM 0 H THR A 506 8.205 3.683 0.874 1.00 0.00 H new ATOM 0 HA THR A 506 7.835 5.733 -1.263 1.00 0.00 H new ATOM 0 HB THR A 506 9.724 5.688 1.111 1.00 0.00 H new ATOM 0 HG1 THR A 506 8.689 7.893 1.147 1.00 0.00 H new ATOM 0 HG21 THR A 506 10.814 7.662 0.109 1.00 0.00 H new ATOM 0 HG22 THR A 506 11.011 6.245 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 506 9.808 7.493 -1.349 1.00 0.00 H new ATOM 1269 N PRO A 507 9.590 4.768 -2.690 1.00 0.00 N ATOM 1270 CA PRO A 507 10.426 4.033 -3.623 1.00 0.00 C ATOM 1271 C PRO A 507 11.907 4.183 -3.269 1.00 0.00 C ATOM 1272 O PRO A 507 12.334 5.241 -2.807 1.00 0.00 O ATOM 1273 CB PRO A 507 10.082 4.601 -4.990 1.00 0.00 C ATOM 1274 CG PRO A 507 9.415 5.942 -4.729 1.00 0.00 C ATOM 1275 CD PRO A 507 9.053 6.003 -3.254 1.00 0.00 C ATOM 0 HA PRO A 507 10.244 2.959 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 507 10.978 4.722 -5.599 1.00 0.00 H new ATOM 0 HB3 PRO A 507 9.415 3.932 -5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 507 10.086 6.760 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 507 8.523 6.051 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 507 9.489 6.880 -2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 507 7.974 6.066 -3.113 1.00 0.00 H new ATOM 1346 N GLY A 514 11.666 -0.495 -2.139 1.00 0.00 N ATOM 1347 CA GLY A 514 10.379 -0.243 -1.512 1.00 0.00 C ATOM 1348 C GLY A 514 10.518 -0.159 0.009 1.00 0.00 C ATOM 1349 O GLY A 514 10.535 -1.181 0.692 1.00 0.00 O ATOM 0 HA2 GLY A 514 9.960 0.688 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 514 9.681 -1.038 -1.774 1.00 0.00 H new ATOM 1353 N THR A 515 10.613 1.070 0.495 1.00 0.00 N ATOM 1354 CA THR A 515 10.749 1.302 1.923 1.00 0.00 C ATOM 1355 C THR A 515 9.376 1.519 2.562 1.00 0.00 C ATOM 1356 O THR A 515 8.519 2.189 1.987 1.00 0.00 O ATOM 1357 CB THR A 515 11.705 2.480 2.121 1.00 0.00 C ATOM 1358 OG1 THR A 515 11.531 3.270 0.949 1.00 0.00 O ATOM 1359 CG2 THR A 515 13.175 2.056 2.071 1.00 0.00 C ATOM 0 H THR A 515 10.598 1.916 -0.075 1.00 0.00 H new ATOM 0 HA THR A 515 11.172 0.433 2.426 1.00 0.00 H new ATOM 0 HB THR A 515 11.498 2.958 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 515 10.574 3.404 0.784 1.00 0.00 H new ATOM 0 HG21 THR A 515 13.811 2.929 2.217 1.00 0.00 H new ATOM 0 HG22 THR A 515 13.371 1.329 2.859 1.00 0.00 H new ATOM 0 HG23 THR A 515 13.392 1.608 1.101 1.00 0.00 H new ATOM 1367 N ILE A 516 9.210 0.940 3.742 1.00 0.00 N ATOM 1368 CA ILE A 516 7.955 1.062 4.465 1.00 0.00 C ATOM 1369 C ILE A 516 8.226 1.643 5.854 1.00 0.00 C ATOM 1370 O ILE A 516 9.201 1.273 6.506 1.00 0.00 O ATOM 1371 CB ILE A 516 7.221 -0.280 4.492 1.00 0.00 C ATOM 1372 CG1 ILE A 516 7.290 -0.971 3.129 1.00 0.00 C ATOM 1373 CG2 ILE A 516 5.779 -0.106 4.974 1.00 0.00 C ATOM 1374 CD1 ILE A 516 7.389 -2.490 3.289 1.00 0.00 C ATOM 0 H ILE A 516 9.923 0.385 4.215 1.00 0.00 H new ATOM 0 HA ILE A 516 7.286 1.755 3.954 1.00 0.00 H new ATOM 0 HB ILE A 516 7.724 -0.930 5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 516 6.405 -0.720 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 516 8.153 -0.603 2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 516 5.279 -1.075 4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 516 5.780 0.312 5.981 1.00 0.00 H new ATOM 0 HG23 ILE A 516 5.249 0.569 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 516 7.437 -2.957 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 516 8.288 -2.739 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 516 6.513 -2.857 3.823 1.00 0.00 H new ATOM 1386 N THR A 517 7.347 2.545 6.265 1.00 0.00 N ATOM 1387 CA THR A 517 7.479 3.181 7.564 1.00 0.00 C ATOM 1388 C THR A 517 6.144 3.152 8.311 1.00 0.00 C ATOM 1389 O THR A 517 5.095 2.940 7.705 1.00 0.00 O ATOM 1390 CB THR A 517 8.022 4.595 7.345 1.00 0.00 C ATOM 1391 OG1 THR A 517 7.581 4.937 6.034 1.00 0.00 O ATOM 1392 CG2 THR A 517 9.549 4.627 7.244 1.00 0.00 C ATOM 0 H THR A 517 6.540 2.850 5.721 1.00 0.00 H new ATOM 0 HA THR A 517 8.182 2.641 8.199 1.00 0.00 H new ATOM 0 HB THR A 517 7.699 5.238 8.163 1.00 0.00 H new ATOM 0 HG1 THR A 517 7.847 5.858 5.829 1.00 0.00 H new ATOM 0 HG21 THR A 517 9.882 5.653 7.089 1.00 0.00 H new ATOM 0 HG22 THR A 517 9.983 4.240 8.166 1.00 0.00 H new ATOM 0 HG23 THR A 517 9.871 4.010 6.405 1.00 0.00 H new ATOM 1400 N SER A 518 6.227 3.369 9.615 1.00 0.00 N ATOM 1401 CA SER A 518 5.039 3.370 10.451 1.00 0.00 C ATOM 1402 C SER A 518 4.654 4.807 10.812 1.00 0.00 C ATOM 1403 O SER A 518 5.150 5.357 11.794 1.00 0.00 O ATOM 1404 CB SER A 518 5.257 2.544 11.720 1.00 0.00 C ATOM 1405 OG SER A 518 5.217 1.144 11.459 1.00 0.00 O ATOM 0 H SER A 518 7.099 3.545 10.113 1.00 0.00 H new ATOM 0 HA SER A 518 4.225 2.913 9.888 1.00 0.00 H new ATOM 0 HB2 SER A 518 6.220 2.803 12.160 1.00 0.00 H new ATOM 0 HB3 SER A 518 4.492 2.798 12.454 1.00 0.00 H new ATOM 0 HG SER A 518 5.362 0.651 12.294 1.00 0.00 H new ATOM 1411 N GLY A 519 3.774 5.372 9.999 1.00 0.00 N ATOM 1412 CA GLY A 519 3.318 6.734 10.220 1.00 0.00 C ATOM 1413 C GLY A 519 3.326 7.534 8.916 1.00 0.00 C ATOM 1414 O GLY A 519 4.321 7.537 8.192 1.00 0.00 O ATOM 0 H GLY A 519 3.364 4.912 9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 519 2.311 6.721 10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 519 3.960 7.222 10.954 1.00 0.00 H new ATOM 1418 N ALA A 520 2.206 8.192 8.656 1.00 0.00 N ATOM 1419 CA ALA A 520 2.072 8.993 7.451 1.00 0.00 C ATOM 1420 C ALA A 520 3.017 10.194 7.535 1.00 0.00 C ATOM 1421 O ALA A 520 3.346 10.655 8.626 1.00 0.00 O ATOM 1422 CB ALA A 520 0.611 9.413 7.277 1.00 0.00 C ATOM 0 H ALA A 520 1.383 8.187 9.259 1.00 0.00 H new ATOM 0 HA ALA A 520 2.352 8.413 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 520 0.510 10.014 6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -0.015 8.525 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 520 0.296 10.000 8.140 1.00 0.00 H new ATOM 1428 N PRO A 521 3.437 10.678 6.335 1.00 0.00 N ATOM 1429 CA PRO A 521 4.338 11.816 6.262 1.00 0.00 C ATOM 1430 C PRO A 521 3.600 13.120 6.569 1.00 0.00 C ATOM 1431 O PRO A 521 2.401 13.233 6.319 1.00 0.00 O ATOM 1432 CB PRO A 521 4.911 11.775 4.855 1.00 0.00 C ATOM 1433 CG PRO A 521 3.967 10.900 4.046 1.00 0.00 C ATOM 1434 CD PRO A 521 3.068 10.158 5.022 1.00 0.00 C ATOM 0 HA PRO A 521 5.135 11.769 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 521 4.976 12.777 4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 521 5.920 11.364 4.856 1.00 0.00 H new ATOM 0 HG2 PRO A 521 3.371 11.508 3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 521 4.530 10.195 3.434 1.00 0.00 H new ATOM 0 HD2 PRO A 521 2.015 10.339 4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 521 3.225 9.081 4.964 1.00 0.00 H new