USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 466 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 466 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 469 ASN : amide:sc= -0.081 K(o=-0.081,f=-2.1!) USER MOD Single : A 420 MET CE :methyl -122:sc= -0.138 (180deg=-1.74!) USER MOD Single : A 423 THR OG1 : rot 170:sc= -0.0176 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 75:sc= 0.954 USER MOD Single : A 445 HIS :FLIP no HD1:sc= -1.83! C(o=-4.6!,f=-1.8!) USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 451 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-6.3!) USER MOD Single : A 452 CYS SG : rot -89:sc= -0.32! USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 ASN :FLIP amide:sc= -0.0941 F(o=-0.69,f=-0.094) USER MOD Single : A 459 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 465 SER OG : rot 180:sc= 0 USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 GLN : amide:sc= -0.0194 K(o=-0.019,f=-1.8!) USER MOD Single : A 478 SER OG : rot -53:sc= 0.0321 USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 418 8.549 -5.951 10.271 1.00 0.00 N ATOM 19 CA GLU A 418 7.345 -5.145 9.921 1.00 0.00 C ATOM 20 C GLU A 418 7.769 -3.919 9.110 1.00 0.00 C ATOM 21 O GLU A 418 8.819 -3.350 9.341 1.00 0.00 O ATOM 22 CB GLU A 418 6.654 -4.688 11.210 1.00 0.00 C ATOM 23 CG GLU A 418 6.112 -5.909 11.972 1.00 0.00 C ATOM 24 CD GLU A 418 7.237 -6.560 12.783 1.00 0.00 C ATOM 25 OE1 GLU A 418 8.368 -6.118 12.660 1.00 0.00 O ATOM 26 OE2 GLU A 418 6.949 -7.491 13.517 1.00 0.00 O ATOM 0 HA GLU A 418 6.658 -5.750 9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 418 7.358 -4.140 11.836 1.00 0.00 H new ATOM 0 HB3 GLU A 418 5.839 -4.004 10.974 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.303 -5.604 12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 418 5.694 -6.630 11.270 1.00 0.00 H new ATOM 33 N VAL A 419 6.955 -3.505 8.165 1.00 0.00 N ATOM 34 CA VAL A 419 7.293 -2.306 7.334 1.00 0.00 C ATOM 35 C VAL A 419 6.216 -1.241 7.527 1.00 0.00 C ATOM 36 O VAL A 419 5.033 -1.514 7.451 1.00 0.00 O ATOM 37 CB VAL A 419 7.367 -2.710 5.859 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.578 -3.619 5.655 1.00 0.00 C ATOM 39 CG2 VAL A 419 6.094 -3.460 5.456 1.00 0.00 C ATOM 0 H VAL A 419 6.067 -3.950 7.934 1.00 0.00 H new ATOM 0 HA VAL A 419 8.258 -1.905 7.642 1.00 0.00 H new ATOM 0 HB VAL A 419 7.462 -1.816 5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.640 -3.913 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.485 -3.085 5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 419 8.474 -4.509 6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 419 6.156 -3.743 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 419 5.990 -4.356 6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.228 -2.815 5.608 1.00 0.00 H new ATOM 49 N MET A 420 6.620 -0.026 7.793 1.00 0.00 N ATOM 50 CA MET A 420 5.632 1.070 8.007 1.00 0.00 C ATOM 51 C MET A 420 5.445 1.850 6.709 1.00 0.00 C ATOM 52 O MET A 420 6.396 2.141 6.009 1.00 0.00 O ATOM 53 CB MET A 420 6.156 2.006 9.099 1.00 0.00 C ATOM 54 CG MET A 420 5.130 3.107 9.368 1.00 0.00 C ATOM 55 SD MET A 420 5.706 4.143 10.736 1.00 0.00 S ATOM 56 CE MET A 420 6.692 5.297 9.753 1.00 0.00 C ATOM 0 H MET A 420 7.598 0.254 7.871 1.00 0.00 H new ATOM 0 HA MET A 420 4.674 0.649 8.312 1.00 0.00 H new ATOM 0 HB2 MET A 420 6.348 1.443 10.013 1.00 0.00 H new ATOM 0 HB3 MET A 420 7.104 2.446 8.790 1.00 0.00 H new ATOM 0 HG2 MET A 420 4.987 3.713 8.473 1.00 0.00 H new ATOM 0 HG3 MET A 420 4.163 2.667 9.612 1.00 0.00 H new ATOM 0 HE1 MET A 420 7.724 5.285 10.104 1.00 0.00 H new ATOM 0 HE2 MET A 420 6.662 5.000 8.705 1.00 0.00 H new ATOM 0 HE3 MET A 420 6.286 6.303 9.857 1.00 0.00 H new ATOM 66 N VAL A 421 4.222 2.194 6.384 1.00 0.00 N ATOM 67 CA VAL A 421 3.947 2.963 5.131 1.00 0.00 C ATOM 68 C VAL A 421 3.054 4.152 5.469 1.00 0.00 C ATOM 69 O VAL A 421 2.477 4.217 6.540 1.00 0.00 O ATOM 70 CB VAL A 421 3.246 2.061 4.117 1.00 0.00 C ATOM 71 CG1 VAL A 421 4.190 0.928 3.714 1.00 0.00 C ATOM 72 CG2 VAL A 421 1.978 1.472 4.743 1.00 0.00 C ATOM 0 H VAL A 421 3.396 1.972 6.939 1.00 0.00 H new ATOM 0 HA VAL A 421 4.884 3.317 4.700 1.00 0.00 H new ATOM 0 HB VAL A 421 2.975 2.644 3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.694 0.281 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 421 5.092 1.347 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 421 4.458 0.347 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.479 0.829 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 421 2.245 0.888 5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.307 2.280 5.033 1.00 0.00 H new ATOM 82 N PHE A 422 2.947 5.102 4.573 1.00 0.00 N ATOM 83 CA PHE A 422 2.107 6.308 4.838 1.00 0.00 C ATOM 84 C PHE A 422 0.912 6.314 3.892 1.00 0.00 C ATOM 85 O PHE A 422 1.031 6.007 2.721 1.00 0.00 O ATOM 86 CB PHE A 422 2.947 7.556 4.582 1.00 0.00 C ATOM 87 CG PHE A 422 4.126 7.557 5.522 1.00 0.00 C ATOM 88 CD1 PHE A 422 3.988 8.070 6.814 1.00 0.00 C ATOM 89 CD2 PHE A 422 5.356 7.042 5.099 1.00 0.00 C ATOM 90 CE1 PHE A 422 5.082 8.071 7.687 1.00 0.00 C ATOM 91 CE2 PHE A 422 6.451 7.041 5.970 1.00 0.00 C ATOM 92 CZ PHE A 422 6.314 7.557 7.265 1.00 0.00 C ATOM 0 H PHE A 422 3.409 5.092 3.664 1.00 0.00 H new ATOM 0 HA PHE A 422 1.756 6.293 5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.290 7.573 3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.345 8.452 4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 422 3.037 8.466 7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 422 5.460 6.645 4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 422 4.976 8.468 8.686 1.00 0.00 H new ATOM 0 HE2 PHE A 422 7.401 6.643 5.644 1.00 0.00 H new ATOM 0 HZ PHE A 422 7.159 7.558 7.938 1.00 0.00 H new ATOM 102 N THR A 423 -0.246 6.662 4.390 1.00 0.00 N ATOM 103 CA THR A 423 -1.463 6.694 3.530 1.00 0.00 C ATOM 104 C THR A 423 -1.716 8.145 3.083 1.00 0.00 C ATOM 105 O THR A 423 -1.204 9.070 3.685 1.00 0.00 O ATOM 106 CB THR A 423 -2.666 6.188 4.347 1.00 0.00 C ATOM 107 OG1 THR A 423 -3.311 7.290 4.967 1.00 0.00 O ATOM 108 CG2 THR A 423 -2.185 5.209 5.421 1.00 0.00 C ATOM 0 H THR A 423 -0.400 6.927 5.363 1.00 0.00 H new ATOM 0 HA THR A 423 -1.325 6.059 2.655 1.00 0.00 H new ATOM 0 HB THR A 423 -3.366 5.680 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 423 -4.163 6.996 5.352 1.00 0.00 H new ATOM 0 HG21 THR A 423 -3.039 4.853 5.997 1.00 0.00 H new ATOM 0 HG22 THR A 423 -1.689 4.362 4.946 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.484 5.714 6.086 1.00 0.00 H new ATOM 116 N PRO A 424 -2.510 8.359 2.057 1.00 0.00 N ATOM 117 CA PRO A 424 -2.831 9.738 1.571 1.00 0.00 C ATOM 118 C PRO A 424 -3.313 10.651 2.708 1.00 0.00 C ATOM 119 O PRO A 424 -3.087 11.845 2.701 1.00 0.00 O ATOM 120 CB PRO A 424 -3.961 9.511 0.553 1.00 0.00 C ATOM 121 CG PRO A 424 -3.770 8.111 0.065 1.00 0.00 C ATOM 122 CD PRO A 424 -3.174 7.325 1.237 1.00 0.00 C ATOM 0 HA PRO A 424 -1.957 10.235 1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -4.940 9.637 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -3.902 10.226 -0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -4.718 7.677 -0.252 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -3.104 8.087 -0.798 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -3.946 6.802 1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -2.465 6.571 0.893 1.00 0.00 H new ATOM 130 N LYS A 425 -3.983 10.099 3.681 1.00 0.00 N ATOM 131 CA LYS A 425 -4.481 10.933 4.806 1.00 0.00 C ATOM 132 C LYS A 425 -3.326 11.224 5.772 1.00 0.00 C ATOM 133 O LYS A 425 -3.484 11.920 6.756 1.00 0.00 O ATOM 134 CB LYS A 425 -5.590 10.169 5.535 1.00 0.00 C ATOM 135 CG LYS A 425 -6.798 10.007 4.605 1.00 0.00 C ATOM 136 CD LYS A 425 -7.902 9.228 5.327 1.00 0.00 C ATOM 137 CE LYS A 425 -9.113 9.073 4.403 1.00 0.00 C ATOM 138 NZ LYS A 425 -10.181 8.307 5.107 1.00 0.00 N ATOM 0 H LYS A 425 -4.206 9.106 3.744 1.00 0.00 H new ATOM 0 HA LYS A 425 -4.875 11.876 4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -5.226 9.191 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -5.882 10.705 6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -7.169 10.986 4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -6.503 9.482 3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -7.532 8.247 5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -8.192 9.750 6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -9.488 10.054 4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -8.822 8.556 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -11.004 8.202 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -9.820 7.367 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -10.465 8.818 5.967 1.00 0.00 H new ATOM 152 N GLY A 426 -2.159 10.698 5.495 1.00 0.00 N ATOM 153 CA GLY A 426 -0.994 10.945 6.394 1.00 0.00 C ATOM 154 C GLY A 426 -1.056 9.976 7.577 1.00 0.00 C ATOM 155 O GLY A 426 -0.354 10.126 8.556 1.00 0.00 O ATOM 0 H GLY A 426 -1.964 10.109 4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 426 -0.062 10.809 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -1.007 11.975 6.751 1.00 0.00 H new ATOM 159 N GLU A 427 -1.902 8.987 7.497 1.00 0.00 N ATOM 160 CA GLU A 427 -2.021 8.013 8.618 1.00 0.00 C ATOM 161 C GLU A 427 -0.829 7.054 8.625 1.00 0.00 C ATOM 162 O GLU A 427 -0.164 6.867 7.625 1.00 0.00 O ATOM 163 CB GLU A 427 -3.309 7.214 8.445 1.00 0.00 C ATOM 164 CG GLU A 427 -4.501 8.136 8.687 1.00 0.00 C ATOM 165 CD GLU A 427 -5.798 7.372 8.428 1.00 0.00 C ATOM 166 OE1 GLU A 427 -5.714 6.204 8.086 1.00 0.00 O ATOM 167 OE2 GLU A 427 -6.851 7.966 8.577 1.00 0.00 O ATOM 0 H GLU A 427 -2.517 8.811 6.703 1.00 0.00 H new ATOM 0 HA GLU A 427 -2.037 8.558 9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -3.358 6.791 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -3.331 6.379 9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -4.484 8.508 9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -4.441 9.005 8.031 1.00 0.00 H new ATOM 174 N ILE A 428 -0.560 6.437 9.752 1.00 0.00 N ATOM 175 CA ILE A 428 0.584 5.479 9.845 1.00 0.00 C ATOM 176 C ILE A 428 0.039 4.055 9.896 1.00 0.00 C ATOM 177 O ILE A 428 -0.766 3.724 10.746 1.00 0.00 O ATOM 178 CB ILE A 428 1.366 5.757 11.129 1.00 0.00 C ATOM 179 CG1 ILE A 428 1.770 7.236 11.180 1.00 0.00 C ATOM 180 CG2 ILE A 428 2.612 4.873 11.172 1.00 0.00 C ATOM 181 CD1 ILE A 428 2.499 7.640 9.892 1.00 0.00 C ATOM 0 H ILE A 428 -1.089 6.558 10.616 1.00 0.00 H new ATOM 0 HA ILE A 428 1.236 5.597 8.980 1.00 0.00 H new ATOM 0 HB ILE A 428 0.738 5.531 11.991 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.884 7.857 11.313 1.00 0.00 H new ATOM 0 HG13 ILE A 428 2.415 7.413 12.041 1.00 0.00 H new ATOM 0 HG21 ILE A 428 3.168 5.073 12.088 1.00 0.00 H new ATOM 0 HG22 ILE A 428 2.315 3.824 11.149 1.00 0.00 H new ATOM 0 HG23 ILE A 428 3.243 5.091 10.310 1.00 0.00 H new ATOM 0 HD11 ILE A 428 2.778 8.692 9.946 1.00 0.00 H new ATOM 0 HD12 ILE A 428 3.396 7.032 9.776 1.00 0.00 H new ATOM 0 HD13 ILE A 428 1.841 7.483 9.037 1.00 0.00 H new ATOM 193 N LYS A 429 0.472 3.206 8.995 1.00 0.00 N ATOM 194 CA LYS A 429 -0.017 1.793 8.986 1.00 0.00 C ATOM 195 C LYS A 429 1.183 0.852 8.952 1.00 0.00 C ATOM 196 O LYS A 429 2.104 1.032 8.180 1.00 0.00 O ATOM 197 CB LYS A 429 -0.883 1.576 7.742 1.00 0.00 C ATOM 198 CG LYS A 429 -2.085 2.532 7.765 1.00 0.00 C ATOM 199 CD LYS A 429 -3.032 2.178 8.919 1.00 0.00 C ATOM 200 CE LYS A 429 -4.385 2.854 8.698 1.00 0.00 C ATOM 201 NZ LYS A 429 -5.323 2.430 9.775 1.00 0.00 N ATOM 0 H LYS A 429 1.145 3.433 8.263 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.608 1.592 9.880 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.291 1.745 6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.230 0.543 7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.738 3.559 7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.620 2.475 6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.160 1.097 8.979 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.603 2.502 9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -4.270 3.938 8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -4.786 2.582 7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.246 2.886 9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -5.439 1.397 9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -4.939 2.710 10.700 1.00 0.00 H new ATOM 215 N ARG A 430 1.177 -0.151 9.793 1.00 0.00 N ATOM 216 CA ARG A 430 2.310 -1.121 9.837 1.00 0.00 C ATOM 217 C ARG A 430 1.875 -2.445 9.217 1.00 0.00 C ATOM 218 O ARG A 430 0.778 -2.913 9.450 1.00 0.00 O ATOM 219 CB ARG A 430 2.713 -1.354 11.292 1.00 0.00 C ATOM 220 CG ARG A 430 3.339 -0.077 11.856 1.00 0.00 C ATOM 221 CD ARG A 430 3.719 -0.300 13.321 1.00 0.00 C ATOM 222 NE ARG A 430 2.477 -0.429 14.133 1.00 0.00 N ATOM 223 CZ ARG A 430 2.553 -0.660 15.417 1.00 0.00 C ATOM 224 NH1 ARG A 430 3.716 -0.780 15.992 1.00 0.00 N ATOM 225 NH2 ARG A 430 1.461 -0.767 16.126 1.00 0.00 N ATOM 0 H ARG A 430 0.427 -0.340 10.458 1.00 0.00 H new ATOM 0 HA ARG A 430 3.155 -0.720 9.278 1.00 0.00 H new ATOM 0 HB2 ARG A 430 1.841 -1.636 11.882 1.00 0.00 H new ATOM 0 HB3 ARG A 430 3.422 -2.179 11.357 1.00 0.00 H new ATOM 0 HG2 ARG A 430 4.222 0.194 11.277 1.00 0.00 H new ATOM 0 HG3 ARG A 430 2.637 0.752 11.773 1.00 0.00 H new ATOM 0 HD2 ARG A 430 4.327 -1.199 13.419 1.00 0.00 H new ATOM 0 HD3 ARG A 430 4.321 0.533 13.684 1.00 0.00 H new ATOM 0 HE ARG A 430 1.565 -0.337 13.686 1.00 0.00 H new ATOM 0 HH11 ARG A 430 4.569 -0.694 15.440 1.00 0.00 H new ATOM 0 HH12 ARG A 430 3.773 -0.960 16.994 1.00 0.00 H new ATOM 0 HH21 ARG A 430 0.550 -0.670 15.677 1.00 0.00 H new ATOM 0 HH22 ARG A 430 1.519 -0.947 17.128 1.00 0.00 H new ATOM 239 N LEU A 431 2.729 -3.056 8.432 1.00 0.00 N ATOM 240 CA LEU A 431 2.381 -4.362 7.792 1.00 0.00 C ATOM 241 C LEU A 431 3.542 -5.348 8.009 1.00 0.00 C ATOM 242 O LEU A 431 4.687 -4.948 8.057 1.00 0.00 O ATOM 243 CB LEU A 431 2.177 -4.148 6.294 1.00 0.00 C ATOM 244 CG LEU A 431 1.115 -3.071 6.057 1.00 0.00 C ATOM 245 CD1 LEU A 431 1.125 -2.681 4.580 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.277 -3.599 6.436 1.00 0.00 C ATOM 0 H LEU A 431 3.659 -2.703 8.206 1.00 0.00 H new ATOM 0 HA LEU A 431 1.467 -4.761 8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 431 3.117 -3.851 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.870 -5.082 5.824 1.00 0.00 H new ATOM 0 HG LEU A 431 1.341 -2.203 6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 431 0.371 -1.914 4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 431 2.108 -2.293 4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 431 0.903 -3.557 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -1.021 -2.822 6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -0.514 -4.471 5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.285 -3.880 7.489 1.00 0.00 H new ATOM 258 N PRO A 432 3.257 -6.624 8.137 1.00 0.00 N ATOM 259 CA PRO A 432 4.312 -7.663 8.348 1.00 0.00 C ATOM 260 C PRO A 432 5.199 -7.869 7.108 1.00 0.00 C ATOM 261 O PRO A 432 4.823 -7.554 5.997 1.00 0.00 O ATOM 262 CB PRO A 432 3.513 -8.932 8.690 1.00 0.00 C ATOM 263 CG PRO A 432 2.172 -8.729 8.062 1.00 0.00 C ATOM 264 CD PRO A 432 1.909 -7.221 8.101 1.00 0.00 C ATOM 0 HA PRO A 432 5.013 -7.377 9.132 1.00 0.00 H new ATOM 0 HB2 PRO A 432 4.002 -9.823 8.297 1.00 0.00 H new ATOM 0 HB3 PRO A 432 3.427 -9.065 9.768 1.00 0.00 H new ATOM 0 HG2 PRO A 432 2.161 -9.100 7.037 1.00 0.00 H new ATOM 0 HG3 PRO A 432 1.400 -9.273 8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 432 1.350 -6.891 7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 432 1.325 -6.940 8.977 1.00 0.00 H new ATOM 272 N GLN A 433 6.386 -8.381 7.304 1.00 0.00 N ATOM 273 CA GLN A 433 7.322 -8.594 6.161 1.00 0.00 C ATOM 274 C GLN A 433 6.656 -9.431 5.066 1.00 0.00 C ATOM 275 O GLN A 433 5.903 -10.349 5.335 1.00 0.00 O ATOM 276 CB GLN A 433 8.570 -9.316 6.666 1.00 0.00 C ATOM 277 CG GLN A 433 9.548 -9.530 5.508 1.00 0.00 C ATOM 278 CD GLN A 433 10.848 -10.133 6.040 1.00 0.00 C ATOM 279 OE1 GLN A 433 10.847 -11.212 6.599 1.00 0.00 O ATOM 280 NE2 GLN A 433 11.966 -9.478 5.888 1.00 0.00 N ATOM 0 H GLN A 433 6.750 -8.663 8.214 1.00 0.00 H new ATOM 0 HA GLN A 433 7.593 -7.626 5.740 1.00 0.00 H new ATOM 0 HB2 GLN A 433 9.046 -8.732 7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 433 8.294 -10.275 7.104 1.00 0.00 H new ATOM 0 HG2 GLN A 433 9.106 -10.192 4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 433 9.752 -8.582 5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 433 11.967 -8.572 5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 433 12.839 -9.872 6.238 1.00 0.00 H new ATOM 289 N GLY A 434 6.937 -9.120 3.825 1.00 0.00 N ATOM 290 CA GLY A 434 6.331 -9.883 2.696 1.00 0.00 C ATOM 291 C GLY A 434 4.954 -9.300 2.387 1.00 0.00 C ATOM 292 O GLY A 434 4.163 -9.883 1.672 1.00 0.00 O ATOM 0 H GLY A 434 7.564 -8.365 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 434 6.971 -9.825 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 434 6.244 -10.938 2.958 1.00 0.00 H new ATOM 296 N ALA A 435 4.661 -8.151 2.930 1.00 0.00 N ATOM 297 CA ALA A 435 3.334 -7.521 2.687 1.00 0.00 C ATOM 298 C ALA A 435 3.224 -7.055 1.234 1.00 0.00 C ATOM 299 O ALA A 435 4.214 -6.778 0.584 1.00 0.00 O ATOM 300 CB ALA A 435 3.169 -6.321 3.613 1.00 0.00 C ATOM 0 H ALA A 435 5.287 -7.619 3.535 1.00 0.00 H new ATOM 0 HA ALA A 435 2.553 -8.255 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 435 2.198 -5.857 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 435 3.232 -6.650 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.959 -5.596 3.414 1.00 0.00 H new ATOM 306 N THR A 436 2.017 -6.972 0.720 1.00 0.00 N ATOM 307 CA THR A 436 1.811 -6.531 -0.698 1.00 0.00 C ATOM 308 C THR A 436 0.800 -5.381 -0.748 1.00 0.00 C ATOM 309 O THR A 436 0.176 -5.038 0.238 1.00 0.00 O ATOM 310 CB THR A 436 1.274 -7.708 -1.511 1.00 0.00 C ATOM 311 OG1 THR A 436 -0.026 -8.048 -1.047 1.00 0.00 O ATOM 312 CG2 THR A 436 2.208 -8.906 -1.344 1.00 0.00 C ATOM 0 H THR A 436 1.160 -7.193 1.227 1.00 0.00 H new ATOM 0 HA THR A 436 2.760 -6.190 -1.112 1.00 0.00 H new ATOM 0 HB THR A 436 1.222 -7.433 -2.564 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.373 -8.802 -1.569 1.00 0.00 H new ATOM 0 HG21 THR A 436 1.827 -9.748 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.205 -8.643 -1.699 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.259 -9.184 -0.291 1.00 0.00 H new ATOM 320 N ALA A 437 0.639 -4.786 -1.897 1.00 0.00 N ATOM 321 CA ALA A 437 -0.323 -3.660 -2.044 1.00 0.00 C ATOM 322 C ALA A 437 -1.727 -4.130 -1.654 1.00 0.00 C ATOM 323 O ALA A 437 -2.522 -3.377 -1.127 1.00 0.00 O ATOM 324 CB ALA A 437 -0.323 -3.210 -3.502 1.00 0.00 C ATOM 0 H ALA A 437 1.139 -5.036 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 437 -0.032 -2.833 -1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -1.023 -2.384 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.678 -2.882 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.624 -4.041 -4.139 1.00 0.00 H new ATOM 330 N LEU A 438 -2.041 -5.367 -1.912 1.00 0.00 N ATOM 331 CA LEU A 438 -3.391 -5.881 -1.558 1.00 0.00 C ATOM 332 C LEU A 438 -3.575 -5.809 -0.039 1.00 0.00 C ATOM 333 O LEU A 438 -4.616 -5.423 0.453 1.00 0.00 O ATOM 334 CB LEU A 438 -3.504 -7.334 -2.020 1.00 0.00 C ATOM 335 CG LEU A 438 -3.537 -7.397 -3.556 1.00 0.00 C ATOM 336 CD1 LEU A 438 -3.352 -8.851 -4.004 1.00 0.00 C ATOM 337 CD2 LEU A 438 -4.877 -6.852 -4.097 1.00 0.00 C ATOM 0 H LEU A 438 -1.420 -6.045 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 438 -4.160 -5.280 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.660 -7.911 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.407 -7.785 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 438 -2.730 -6.780 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.375 -8.902 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.393 -9.224 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -4.156 -9.463 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.879 -6.906 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.699 -7.450 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -5.001 -5.815 -3.785 1.00 0.00 H new ATOM 349 N ASP A 439 -2.567 -6.172 0.706 1.00 0.00 N ATOM 350 CA ASP A 439 -2.672 -6.125 2.192 1.00 0.00 C ATOM 351 C ASP A 439 -2.966 -4.691 2.637 1.00 0.00 C ATOM 352 O ASP A 439 -3.810 -4.447 3.477 1.00 0.00 O ATOM 353 CB ASP A 439 -1.342 -6.580 2.787 1.00 0.00 C ATOM 354 CG ASP A 439 -1.423 -6.551 4.311 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.426 -6.079 4.823 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.481 -6.997 4.942 1.00 0.00 O ATOM 0 H ASP A 439 -1.671 -6.501 0.347 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.477 -6.777 2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -1.105 -7.588 2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -0.538 -5.930 2.444 1.00 0.00 H new ATOM 361 N PHE A 440 -2.274 -3.742 2.075 1.00 0.00 N ATOM 362 CA PHE A 440 -2.504 -2.320 2.447 1.00 0.00 C ATOM 363 C PHE A 440 -3.945 -1.925 2.109 1.00 0.00 C ATOM 364 O PHE A 440 -4.617 -1.270 2.879 1.00 0.00 O ATOM 365 CB PHE A 440 -1.524 -1.443 1.671 1.00 0.00 C ATOM 366 CG PHE A 440 -1.752 0.011 2.016 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.502 0.472 3.314 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.207 0.901 1.035 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.703 1.820 3.630 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.409 2.249 1.351 1.00 0.00 C ATOM 371 CZ PHE A 440 -2.158 2.708 2.648 1.00 0.00 C ATOM 0 H PHE A 440 -1.554 -3.891 1.369 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.346 -2.185 3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.499 -1.727 1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.654 -1.597 0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -1.154 -0.214 4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.402 0.547 0.034 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -1.507 2.175 4.631 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -2.759 2.935 0.594 1.00 0.00 H new ATOM 0 HZ PHE A 440 -2.315 3.748 2.892 1.00 0.00 H new ATOM 381 N ALA A 441 -4.423 -2.314 0.958 1.00 0.00 N ATOM 382 CA ALA A 441 -5.816 -1.961 0.570 1.00 0.00 C ATOM 383 C ALA A 441 -6.793 -2.495 1.623 1.00 0.00 C ATOM 384 O ALA A 441 -7.699 -1.808 2.051 1.00 0.00 O ATOM 385 CB ALA A 441 -6.129 -2.599 -0.782 1.00 0.00 C ATOM 0 H ALA A 441 -3.907 -2.862 0.270 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.917 -0.878 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.148 -2.347 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.432 -2.224 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -6.031 -3.682 -0.705 1.00 0.00 H new ATOM 391 N TYR A 442 -6.611 -3.716 2.045 1.00 0.00 N ATOM 392 CA TYR A 442 -7.519 -4.295 3.072 1.00 0.00 C ATOM 393 C TYR A 442 -7.370 -3.516 4.380 1.00 0.00 C ATOM 394 O TYR A 442 -8.322 -3.308 5.107 1.00 0.00 O ATOM 395 CB TYR A 442 -7.151 -5.762 3.314 1.00 0.00 C ATOM 396 CG TYR A 442 -7.589 -6.612 2.139 1.00 0.00 C ATOM 397 CD1 TYR A 442 -8.950 -6.730 1.828 1.00 0.00 C ATOM 398 CD2 TYR A 442 -6.635 -7.280 1.358 1.00 0.00 C ATOM 399 CE1 TYR A 442 -9.355 -7.515 0.742 1.00 0.00 C ATOM 400 CE2 TYR A 442 -7.043 -8.064 0.271 1.00 0.00 C ATOM 401 CZ TYR A 442 -8.403 -8.180 -0.036 1.00 0.00 C ATOM 402 OH TYR A 442 -8.806 -8.951 -1.107 1.00 0.00 O ATOM 0 H TYR A 442 -5.870 -4.338 1.721 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.549 -4.230 2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -6.075 -5.855 3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.627 -6.118 4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -9.687 -6.215 2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -5.585 -7.190 1.595 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -10.405 -7.607 0.505 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -6.308 -8.579 -0.330 1.00 0.00 H new ATOM 0 HH TYR A 442 -8.020 -9.343 -1.542 1.00 0.00 H new ATOM 412 N SER A 443 -6.178 -3.098 4.692 1.00 0.00 N ATOM 413 CA SER A 443 -5.955 -2.345 5.954 1.00 0.00 C ATOM 414 C SER A 443 -6.814 -1.077 5.965 1.00 0.00 C ATOM 415 O SER A 443 -7.399 -0.722 6.969 1.00 0.00 O ATOM 416 CB SER A 443 -4.482 -1.963 6.047 1.00 0.00 C ATOM 417 OG SER A 443 -3.686 -3.136 5.935 1.00 0.00 O ATOM 0 H SER A 443 -5.344 -3.246 4.124 1.00 0.00 H new ATOM 0 HA SER A 443 -6.233 -2.968 6.804 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.226 -1.259 5.255 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.283 -1.463 6.995 1.00 0.00 H new ATOM 0 HG SER A 443 -3.671 -3.433 5.001 1.00 0.00 H new ATOM 423 N LEU A 444 -6.888 -0.382 4.863 1.00 0.00 N ATOM 424 CA LEU A 444 -7.702 0.864 4.826 1.00 0.00 C ATOM 425 C LEU A 444 -9.184 0.516 4.988 1.00 0.00 C ATOM 426 O LEU A 444 -9.848 0.991 5.888 1.00 0.00 O ATOM 427 CB LEU A 444 -7.498 1.556 3.480 1.00 0.00 C ATOM 428 CG LEU A 444 -6.012 1.861 3.261 1.00 0.00 C ATOM 429 CD1 LEU A 444 -5.829 2.510 1.883 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.493 2.808 4.359 1.00 0.00 C ATOM 0 H LEU A 444 -6.421 -0.623 3.989 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.391 1.524 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -7.868 0.920 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -8.075 2.480 3.447 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.444 0.932 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -4.774 2.729 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.180 1.827 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -6.403 3.435 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.436 3.016 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -6.055 3.741 4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.619 2.338 5.334 1.00 0.00 H new ATOM 442 N HIS A 445 -9.709 -0.311 4.126 1.00 0.00 N ATOM 443 CA HIS A 445 -11.146 -0.681 4.238 1.00 0.00 C ATOM 444 C HIS A 445 -11.402 -1.966 3.445 1.00 0.00 C ATOM 445 O HIS A 445 -10.484 -2.589 2.948 1.00 0.00 O ATOM 446 CB HIS A 445 -12.015 0.443 3.667 1.00 0.00 C ATOM 447 CG HIS A 445 -13.447 0.216 4.067 1.00 0.00 C ATOM 448 ND1 HIS A 445 -14.558 -0.146 3.347 1.00 0.00 N flip ATOM 449 CD2 HIS A 445 -13.877 0.353 5.379 1.00 0.00 C flip ATOM 450 CE1 HIS A 445 -15.660 -0.232 4.193 1.00 0.00 C flip ATOM 451 NE2 HIS A 445 -15.195 0.079 5.405 1.00 0.00 N flip ATOM 0 H HIS A 445 -9.206 -0.745 3.352 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.397 -0.837 5.287 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -11.671 1.409 4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -11.929 0.469 2.581 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -13.266 0.629 6.225 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -16.673 -0.494 3.926 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -15.768 0.106 6.248 1.00 0.00 H new ATOM 459 N SER A 446 -12.644 -2.365 3.327 1.00 0.00 N ATOM 460 CA SER A 446 -12.978 -3.609 2.568 1.00 0.00 C ATOM 461 C SER A 446 -13.548 -3.240 1.195 1.00 0.00 C ATOM 462 O SER A 446 -13.010 -3.602 0.169 1.00 0.00 O ATOM 463 CB SER A 446 -14.029 -4.394 3.348 1.00 0.00 C ATOM 464 OG SER A 446 -13.625 -4.491 4.707 1.00 0.00 O ATOM 0 H SER A 446 -13.446 -1.879 3.727 1.00 0.00 H new ATOM 0 HA SER A 446 -12.078 -4.209 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 446 -14.997 -3.898 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 446 -14.149 -5.389 2.920 1.00 0.00 H new ATOM 0 HG SER A 446 -14.298 -4.993 5.213 1.00 0.00 H new ATOM 470 N ASP A 447 -14.641 -2.531 1.171 1.00 0.00 N ATOM 471 CA ASP A 447 -15.253 -2.144 -0.131 1.00 0.00 C ATOM 472 C ASP A 447 -14.280 -1.262 -0.920 1.00 0.00 C ATOM 473 O ASP A 447 -14.082 -1.448 -2.103 1.00 0.00 O ATOM 474 CB ASP A 447 -16.536 -1.357 0.136 1.00 0.00 C ATOM 475 CG ASP A 447 -17.326 -1.194 -1.163 1.00 0.00 C ATOM 476 OD1 ASP A 447 -17.117 -1.988 -2.066 1.00 0.00 O ATOM 477 OD2 ASP A 447 -18.128 -0.279 -1.232 1.00 0.00 O ATOM 0 H ASP A 447 -15.138 -2.202 1.998 1.00 0.00 H new ATOM 0 HA ASP A 447 -15.476 -3.042 -0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -17.143 -1.875 0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -16.293 -0.378 0.550 1.00 0.00 H new ATOM 482 N LEU A 448 -13.684 -0.296 -0.279 1.00 0.00 N ATOM 483 CA LEU A 448 -12.740 0.602 -1.001 1.00 0.00 C ATOM 484 C LEU A 448 -11.558 -0.228 -1.506 1.00 0.00 C ATOM 485 O LEU A 448 -11.111 -0.080 -2.626 1.00 0.00 O ATOM 486 CB LEU A 448 -12.248 1.683 -0.025 1.00 0.00 C ATOM 487 CG LEU A 448 -11.895 2.980 -0.778 1.00 0.00 C ATOM 488 CD1 LEU A 448 -10.909 2.673 -1.914 1.00 0.00 C ATOM 489 CD2 LEU A 448 -13.177 3.638 -1.350 1.00 0.00 C ATOM 0 H LEU A 448 -13.809 -0.089 0.712 1.00 0.00 H new ATOM 0 HA LEU A 448 -13.233 1.077 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -13.019 1.887 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -11.373 1.321 0.515 1.00 0.00 H new ATOM 0 HG LEU A 448 -11.429 3.675 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -10.664 3.595 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -9.999 2.240 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -11.363 1.966 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -12.911 4.553 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -13.663 2.948 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -13.859 3.876 -0.534 1.00 0.00 H new ATOM 501 N GLY A 449 -11.045 -1.099 -0.678 1.00 0.00 N ATOM 502 CA GLY A 449 -9.890 -1.935 -1.098 1.00 0.00 C ATOM 503 C GLY A 449 -10.314 -2.856 -2.241 1.00 0.00 C ATOM 504 O GLY A 449 -9.549 -3.135 -3.141 1.00 0.00 O ATOM 0 H GLY A 449 -11.379 -1.265 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -9.064 -1.299 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -9.530 -2.526 -0.256 1.00 0.00 H new ATOM 508 N ASP A 450 -11.529 -3.329 -2.214 1.00 0.00 N ATOM 509 CA ASP A 450 -11.999 -4.229 -3.300 1.00 0.00 C ATOM 510 C ASP A 450 -12.234 -3.411 -4.570 1.00 0.00 C ATOM 511 O ASP A 450 -12.432 -3.949 -5.642 1.00 0.00 O ATOM 512 CB ASP A 450 -13.305 -4.891 -2.873 1.00 0.00 C ATOM 513 CG ASP A 450 -13.029 -5.884 -1.742 1.00 0.00 C ATOM 514 OD1 ASP A 450 -11.871 -6.209 -1.533 1.00 0.00 O ATOM 515 OD2 ASP A 450 -13.980 -6.302 -1.105 1.00 0.00 O ATOM 0 H ASP A 450 -12.216 -3.130 -1.486 1.00 0.00 H new ATOM 0 HA ASP A 450 -11.247 -4.994 -3.495 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -14.017 -4.135 -2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -13.758 -5.406 -3.720 1.00 0.00 H new ATOM 520 N HIS A 451 -12.211 -2.111 -4.457 1.00 0.00 N ATOM 521 CA HIS A 451 -12.425 -1.242 -5.648 1.00 0.00 C ATOM 522 C HIS A 451 -11.067 -0.807 -6.191 1.00 0.00 C ATOM 523 O HIS A 451 -10.976 0.023 -7.071 1.00 0.00 O ATOM 524 CB HIS A 451 -13.239 -0.014 -5.235 1.00 0.00 C ATOM 525 CG HIS A 451 -14.664 -0.425 -4.978 1.00 0.00 C ATOM 526 ND1 HIS A 451 -15.390 -1.170 -5.894 1.00 0.00 N ATOM 527 CD2 HIS A 451 -15.516 -0.198 -3.923 1.00 0.00 C ATOM 528 CE1 HIS A 451 -16.617 -1.365 -5.378 1.00 0.00 C ATOM 529 NE2 HIS A 451 -16.747 -0.794 -4.178 1.00 0.00 N ATOM 0 H HIS A 451 -12.052 -1.610 -3.583 1.00 0.00 H new ATOM 0 HA HIS A 451 -12.968 -1.788 -6.420 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -12.811 0.436 -4.339 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.202 0.742 -6.020 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -15.267 0.359 -3.032 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -17.402 -1.917 -5.874 1.00 0.00 H new ATOM 0 HE2 HIS A 451 -17.571 -0.795 -3.577 1.00 0.00 H new ATOM 537 N CYS A 452 -10.007 -1.361 -5.666 1.00 0.00 N ATOM 538 CA CYS A 452 -8.655 -0.975 -6.146 1.00 0.00 C ATOM 539 C CYS A 452 -8.403 -1.580 -7.529 1.00 0.00 C ATOM 540 O CYS A 452 -8.355 -2.784 -7.693 1.00 0.00 O ATOM 541 CB CYS A 452 -7.600 -1.490 -5.162 1.00 0.00 C ATOM 542 SG CYS A 452 -7.652 -3.298 -5.111 1.00 0.00 S ATOM 0 H CYS A 452 -10.022 -2.063 -4.926 1.00 0.00 H new ATOM 0 HA CYS A 452 -8.593 0.111 -6.214 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -6.609 -1.153 -5.466 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -7.785 -1.082 -4.168 1.00 0.00 H new ATOM 0 HG CYS A 452 -8.497 -3.682 -4.201 1.00 0.00 H new ATOM 548 N ILE A 453 -8.235 -0.749 -8.528 1.00 0.00 N ATOM 549 CA ILE A 453 -7.978 -1.259 -9.908 1.00 0.00 C ATOM 550 C ILE A 453 -6.476 -1.194 -10.193 1.00 0.00 C ATOM 551 O ILE A 453 -6.015 -1.601 -11.239 1.00 0.00 O ATOM 552 CB ILE A 453 -8.743 -0.392 -10.917 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.335 1.080 -10.764 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.244 -0.527 -10.653 1.00 0.00 C ATOM 555 CD1 ILE A 453 -8.950 1.903 -11.898 1.00 0.00 C ATOM 0 H ILE A 453 -8.265 0.267 -8.445 1.00 0.00 H new ATOM 0 HA ILE A 453 -8.316 -2.291 -9.995 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.507 -0.724 -11.928 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -8.670 1.463 -9.800 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.249 1.171 -10.783 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -10.795 0.086 -11.366 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.541 -1.570 -10.765 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.467 -0.194 -9.639 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -8.660 2.948 -11.788 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -8.593 1.526 -12.856 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -10.036 1.822 -11.858 1.00 0.00 H new ATOM 567 N GLY A 454 -5.709 -0.681 -9.270 1.00 0.00 N ATOM 568 CA GLY A 454 -4.244 -0.591 -9.499 1.00 0.00 C ATOM 569 C GLY A 454 -3.547 -0.169 -8.206 1.00 0.00 C ATOM 570 O GLY A 454 -4.185 0.080 -7.203 1.00 0.00 O ATOM 0 H GLY A 454 -6.034 -0.323 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -3.858 -1.554 -9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -4.033 0.129 -10.289 1.00 0.00 H new ATOM 574 N ALA A 455 -2.238 -0.089 -8.220 1.00 0.00 N ATOM 575 CA ALA A 455 -1.491 0.316 -6.990 1.00 0.00 C ATOM 576 C ALA A 455 -0.383 1.290 -7.381 1.00 0.00 C ATOM 577 O ALA A 455 0.234 1.144 -8.417 1.00 0.00 O ATOM 578 CB ALA A 455 -0.865 -0.926 -6.353 1.00 0.00 C ATOM 0 H ALA A 455 -1.655 -0.287 -9.033 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.170 0.791 -6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.318 -0.638 -5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.650 -1.634 -6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.180 -1.392 -7.061 1.00 0.00 H new ATOM 584 N LYS A 456 -0.122 2.280 -6.563 1.00 0.00 N ATOM 585 CA LYS A 456 0.956 3.264 -6.891 1.00 0.00 C ATOM 586 C LYS A 456 1.805 3.503 -5.643 1.00 0.00 C ATOM 587 O LYS A 456 1.304 3.910 -4.613 1.00 0.00 O ATOM 588 CB LYS A 456 0.313 4.582 -7.353 1.00 0.00 C ATOM 589 CG LYS A 456 1.293 5.366 -8.232 1.00 0.00 C ATOM 590 CD LYS A 456 0.595 6.596 -8.804 1.00 0.00 C ATOM 591 CE LYS A 456 1.559 7.324 -9.737 1.00 0.00 C ATOM 592 NZ LYS A 456 0.873 8.495 -10.344 1.00 0.00 N ATOM 0 H LYS A 456 -0.609 2.449 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 456 1.589 2.878 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -0.601 4.374 -7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 456 0.030 5.181 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 456 2.161 5.668 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 456 1.658 4.733 -9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 456 -0.304 6.301 -9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 456 0.278 7.258 -7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 456 2.439 7.651 -9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 456 1.906 6.648 -10.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 1.530 8.991 -10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 0.046 8.171 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 0.563 9.143 -9.592 1.00 0.00 H new ATOM 606 N VAL A 457 3.089 3.249 -5.732 1.00 0.00 N ATOM 607 CA VAL A 457 3.994 3.451 -4.558 1.00 0.00 C ATOM 608 C VAL A 457 5.107 4.430 -4.940 1.00 0.00 C ATOM 609 O VAL A 457 5.713 4.320 -5.988 1.00 0.00 O ATOM 610 CB VAL A 457 4.601 2.103 -4.156 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.717 2.324 -3.131 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.511 1.220 -3.542 1.00 0.00 C ATOM 0 H VAL A 457 3.551 2.908 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 457 3.430 3.859 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 457 5.015 1.614 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 457 6.146 1.363 -2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.493 2.953 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 457 5.308 2.813 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 457 3.940 0.260 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 457 3.098 1.711 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.718 1.059 -4.273 1.00 0.00 H new ATOM 622 N ASN A 458 5.377 5.387 -4.094 1.00 0.00 N ATOM 623 CA ASN A 458 6.447 6.379 -4.393 1.00 0.00 C ATOM 624 C ASN A 458 6.136 7.077 -5.724 1.00 0.00 C ATOM 625 O ASN A 458 6.996 7.274 -6.559 1.00 0.00 O ATOM 626 CB ASN A 458 7.807 5.670 -4.453 1.00 0.00 C ATOM 627 CG ASN A 458 8.925 6.713 -4.429 1.00 0.00 C ATOM 628 OD1 ASN A 458 9.485 7.032 -3.291 1.00 0.00 O flip ATOM 629 ND2 ASN A 458 9.294 7.246 -5.455 1.00 0.00 N flip ATOM 0 H ASN A 458 4.899 5.524 -3.204 1.00 0.00 H new ATOM 0 HA ASN A 458 6.486 7.131 -3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.912 4.989 -3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 458 7.876 5.068 -5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 458 8.858 6.998 -6.343 1.00 0.00 H new ATOM 0 HD22 ASN A 458 10.040 7.941 -5.429 1.00 0.00 H new ATOM 636 N HIS A 459 4.897 7.456 -5.915 1.00 0.00 N ATOM 637 CA HIS A 459 4.492 8.149 -7.172 1.00 0.00 C ATOM 638 C HIS A 459 4.899 7.318 -8.388 1.00 0.00 C ATOM 639 O HIS A 459 4.881 7.798 -9.505 1.00 0.00 O ATOM 640 CB HIS A 459 5.158 9.527 -7.249 1.00 0.00 C ATOM 641 CG HIS A 459 4.635 10.398 -6.141 1.00 0.00 C ATOM 642 ND1 HIS A 459 3.351 10.921 -6.155 1.00 0.00 N ATOM 643 CD2 HIS A 459 5.210 10.846 -4.979 1.00 0.00 C ATOM 644 CE1 HIS A 459 3.197 11.646 -5.031 1.00 0.00 C ATOM 645 NE2 HIS A 459 4.300 11.633 -4.279 1.00 0.00 N ATOM 0 H HIS A 459 4.142 7.312 -5.245 1.00 0.00 H new ATOM 0 HA HIS A 459 3.409 8.271 -7.168 1.00 0.00 H new ATOM 0 HB2 HIS A 459 6.240 9.425 -7.166 1.00 0.00 H new ATOM 0 HB3 HIS A 459 4.954 9.988 -8.216 1.00 0.00 H new ATOM 0 HD2 HIS A 459 6.216 10.622 -4.656 1.00 0.00 H new ATOM 0 HE1 HIS A 459 2.292 12.174 -4.770 1.00 0.00 H new ATOM 0 HE2 HIS A 459 4.445 12.100 -3.384 1.00 0.00 H new ATOM 653 N LYS A 460 5.264 6.075 -8.181 1.00 0.00 N ATOM 654 CA LYS A 460 5.675 5.198 -9.324 1.00 0.00 C ATOM 655 C LYS A 460 4.669 4.056 -9.476 1.00 0.00 C ATOM 656 O LYS A 460 4.242 3.455 -8.510 1.00 0.00 O ATOM 657 CB LYS A 460 7.063 4.627 -9.041 1.00 0.00 C ATOM 658 CG LYS A 460 7.529 3.790 -10.237 1.00 0.00 C ATOM 659 CD LYS A 460 8.916 3.205 -9.953 1.00 0.00 C ATOM 660 CE LYS A 460 9.994 4.292 -10.060 1.00 0.00 C ATOM 661 NZ LYS A 460 11.335 3.647 -10.112 1.00 0.00 N ATOM 0 H LYS A 460 5.295 5.628 -7.265 1.00 0.00 H new ATOM 0 HA LYS A 460 5.700 5.779 -10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.769 5.436 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.038 4.012 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 460 6.818 2.987 -10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.562 4.408 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 460 8.934 2.765 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 460 9.130 2.403 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 460 9.832 4.895 -10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 460 9.934 4.966 -9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 12.070 4.379 -10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 11.486 3.090 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 11.387 3.021 -10.941 1.00 0.00 H new ATOM 675 N LEU A 461 4.286 3.756 -10.686 1.00 0.00 N ATOM 676 CA LEU A 461 3.303 2.660 -10.912 1.00 0.00 C ATOM 677 C LEU A 461 3.928 1.310 -10.557 1.00 0.00 C ATOM 678 O LEU A 461 5.041 1.011 -10.944 1.00 0.00 O ATOM 679 CB LEU A 461 2.890 2.656 -12.388 1.00 0.00 C ATOM 680 CG LEU A 461 1.941 1.483 -12.684 1.00 0.00 C ATOM 681 CD1 LEU A 461 0.723 1.535 -11.749 1.00 0.00 C ATOM 682 CD2 LEU A 461 1.477 1.575 -14.142 1.00 0.00 C ATOM 0 H LEU A 461 4.613 4.225 -11.531 1.00 0.00 H new ATOM 0 HA LEU A 461 2.430 2.823 -10.280 1.00 0.00 H new ATOM 0 HB2 LEU A 461 2.401 3.598 -12.636 1.00 0.00 H new ATOM 0 HB3 LEU A 461 3.776 2.581 -13.018 1.00 0.00 H new ATOM 0 HG LEU A 461 2.466 0.542 -12.519 1.00 0.00 H new ATOM 0 HD11 LEU A 461 0.059 0.699 -11.969 1.00 0.00 H new ATOM 0 HD12 LEU A 461 1.056 1.471 -10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 461 0.188 2.473 -11.900 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.803 0.747 -14.362 1.00 0.00 H new ATOM 0 HD22 LEU A 461 0.955 2.519 -14.299 1.00 0.00 H new ATOM 0 HD23 LEU A 461 2.342 1.524 -14.803 1.00 0.00 H new ATOM 694 N VAL A 462 3.214 0.480 -9.837 1.00 0.00 N ATOM 695 CA VAL A 462 3.756 -0.863 -9.474 1.00 0.00 C ATOM 696 C VAL A 462 2.601 -1.879 -9.463 1.00 0.00 C ATOM 697 O VAL A 462 1.467 -1.524 -9.208 1.00 0.00 O ATOM 698 CB VAL A 462 4.403 -0.794 -8.087 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.793 -0.163 -8.202 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.532 0.056 -7.160 1.00 0.00 C ATOM 0 H VAL A 462 2.277 0.677 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 462 4.507 -1.172 -10.201 1.00 0.00 H new ATOM 0 HB VAL A 462 4.494 -1.800 -7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 462 6.253 -0.114 -7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.414 -0.768 -8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.703 0.843 -8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 462 3.992 0.105 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.440 1.062 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.542 -0.393 -7.077 1.00 0.00 H new ATOM 710 N PRO A 463 2.881 -3.130 -9.740 1.00 0.00 N ATOM 711 CA PRO A 463 1.840 -4.202 -9.763 1.00 0.00 C ATOM 712 C PRO A 463 1.242 -4.481 -8.372 1.00 0.00 C ATOM 713 O PRO A 463 1.800 -4.121 -7.354 1.00 0.00 O ATOM 714 CB PRO A 463 2.585 -5.439 -10.304 1.00 0.00 C ATOM 715 CG PRO A 463 4.035 -5.181 -10.031 1.00 0.00 C ATOM 716 CD PRO A 463 4.217 -3.663 -10.075 1.00 0.00 C ATOM 0 HA PRO A 463 0.986 -3.915 -10.376 1.00 0.00 H new ATOM 0 HB2 PRO A 463 2.248 -6.349 -9.808 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.404 -5.572 -11.371 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.324 -5.579 -9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.664 -5.670 -10.775 1.00 0.00 H new ATOM 0 HD2 PRO A 463 4.969 -3.331 -9.360 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.544 -3.329 -11.060 1.00 0.00 H new ATOM 724 N LEU A 464 0.103 -5.119 -8.338 1.00 0.00 N ATOM 725 CA LEU A 464 -0.557 -5.437 -7.043 1.00 0.00 C ATOM 726 C LEU A 464 0.342 -6.376 -6.234 1.00 0.00 C ATOM 727 O LEU A 464 0.462 -6.259 -5.030 1.00 0.00 O ATOM 728 CB LEU A 464 -1.896 -6.126 -7.331 1.00 0.00 C ATOM 729 CG LEU A 464 -2.954 -5.077 -7.690 1.00 0.00 C ATOM 730 CD1 LEU A 464 -2.520 -4.327 -8.953 1.00 0.00 C ATOM 731 CD2 LEU A 464 -4.293 -5.774 -7.946 1.00 0.00 C ATOM 0 H LEU A 464 -0.403 -5.437 -9.165 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.726 -4.524 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.781 -6.835 -8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -2.217 -6.696 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 464 -3.062 -4.371 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.272 -3.581 -9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.565 -3.833 -8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -2.414 -5.033 -9.777 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -5.047 -5.030 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -4.185 -6.479 -8.770 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -4.602 -6.310 -7.049 1.00 0.00 H new ATOM 743 N SER A 465 0.972 -7.313 -6.886 1.00 0.00 N ATOM 744 CA SER A 465 1.856 -8.261 -6.158 1.00 0.00 C ATOM 745 C SER A 465 3.159 -7.549 -5.786 1.00 0.00 C ATOM 746 O SER A 465 4.101 -8.155 -5.317 1.00 0.00 O ATOM 747 CB SER A 465 2.162 -9.452 -7.065 1.00 0.00 C ATOM 748 OG SER A 465 0.952 -10.137 -7.360 1.00 0.00 O ATOM 0 H SER A 465 0.912 -7.462 -7.893 1.00 0.00 H new ATOM 0 HA SER A 465 1.363 -8.610 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 465 2.635 -9.111 -7.986 1.00 0.00 H new ATOM 0 HB3 SER A 465 2.866 -10.126 -6.576 1.00 0.00 H new ATOM 0 HG SER A 465 1.143 -10.901 -7.943 1.00 0.00 H new ATOM 754 N TYR A 466 3.221 -6.262 -6.002 1.00 0.00 N ATOM 755 CA TYR A 466 4.460 -5.505 -5.675 1.00 0.00 C ATOM 756 C TYR A 466 4.694 -5.499 -4.160 1.00 0.00 C ATOM 757 O TYR A 466 3.788 -5.278 -3.379 1.00 0.00 O ATOM 758 CB TYR A 466 4.316 -4.068 -6.175 1.00 0.00 C ATOM 759 CG TYR A 466 5.560 -3.284 -5.826 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.721 -3.441 -6.591 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.548 -2.397 -4.744 1.00 0.00 C ATOM 762 CE1 TYR A 466 7.873 -2.713 -6.271 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.700 -1.668 -4.425 1.00 0.00 C ATOM 764 CZ TYR A 466 7.862 -1.825 -5.190 1.00 0.00 C ATOM 765 OH TYR A 466 8.996 -1.106 -4.874 1.00 0.00 O ATOM 0 H TYR A 466 2.463 -5.702 -6.392 1.00 0.00 H new ATOM 0 HA TYR A 466 5.311 -5.984 -6.160 1.00 0.00 H new ATOM 0 HB2 TYR A 466 4.160 -4.061 -7.254 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.441 -3.601 -5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.728 -4.124 -7.428 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.651 -2.275 -4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 466 8.771 -2.837 -6.859 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.692 -0.985 -3.589 1.00 0.00 H new ATOM 0 HH TYR A 466 8.816 -0.536 -4.097 1.00 0.00 H new ATOM 775 N VAL A 467 5.905 -5.744 -3.739 1.00 0.00 N ATOM 776 CA VAL A 467 6.210 -5.758 -2.281 1.00 0.00 C ATOM 777 C VAL A 467 6.344 -4.322 -1.759 1.00 0.00 C ATOM 778 O VAL A 467 7.019 -3.497 -2.343 1.00 0.00 O ATOM 779 CB VAL A 467 7.518 -6.515 -2.061 1.00 0.00 C ATOM 780 CG1 VAL A 467 7.930 -6.421 -0.593 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.312 -7.982 -2.441 1.00 0.00 C ATOM 0 H VAL A 467 6.701 -5.936 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 467 5.402 -6.250 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 467 8.302 -6.078 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 467 8.864 -6.963 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 467 8.069 -5.375 -0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 467 7.151 -6.858 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.241 -8.532 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.528 -8.413 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 467 7.020 -8.049 -3.489 1.00 0.00 H new ATOM 791 N LEU A 468 5.695 -4.016 -0.667 1.00 0.00 N ATOM 792 CA LEU A 468 5.771 -2.635 -0.109 1.00 0.00 C ATOM 793 C LEU A 468 7.130 -2.407 0.556 1.00 0.00 C ATOM 794 O LEU A 468 7.697 -3.302 1.153 1.00 0.00 O ATOM 795 CB LEU A 468 4.661 -2.464 0.926 1.00 0.00 C ATOM 796 CG LEU A 468 3.305 -2.760 0.276 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.202 -2.633 1.332 1.00 0.00 C ATOM 798 CD2 LEU A 468 3.042 -1.771 -0.875 1.00 0.00 C ATOM 0 H LEU A 468 5.114 -4.665 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 468 5.651 -1.910 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.827 -3.137 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.672 -1.449 1.322 1.00 0.00 H new ATOM 0 HG LEU A 468 3.311 -3.773 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.235 -2.843 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.385 -3.345 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.200 -1.621 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 468 2.076 -1.990 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 468 3.037 -0.753 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.827 -1.869 -1.625 1.00 0.00 H new ATOM 810 N ASN A 469 7.652 -1.205 0.456 1.00 0.00 N ATOM 811 CA ASN A 469 8.975 -0.883 1.074 1.00 0.00 C ATOM 812 C ASN A 469 8.792 0.191 2.146 1.00 0.00 C ATOM 813 O ASN A 469 7.887 1.000 2.083 1.00 0.00 O ATOM 814 CB ASN A 469 9.920 -0.366 -0.007 1.00 0.00 C ATOM 815 CG ASN A 469 10.341 -1.533 -0.900 1.00 0.00 C ATOM 816 OD1 ASN A 469 10.203 -2.679 -0.523 1.00 0.00 O ATOM 817 ND2 ASN A 469 10.848 -1.290 -2.074 1.00 0.00 N ATOM 0 H ASN A 469 7.210 -0.427 -0.034 1.00 0.00 H new ATOM 0 HA ASN A 469 9.393 -1.780 1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.427 0.404 -0.601 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.797 0.095 0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 469 11.130 -2.062 -2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 469 10.964 -0.327 -2.390 1.00 0.00 H new ATOM 824 N SER A 470 9.642 0.195 3.134 1.00 0.00 N ATOM 825 CA SER A 470 9.525 1.199 4.226 1.00 0.00 C ATOM 826 C SER A 470 9.858 2.604 3.713 1.00 0.00 C ATOM 827 O SER A 470 10.599 2.775 2.764 1.00 0.00 O ATOM 828 CB SER A 470 10.505 0.826 5.334 1.00 0.00 C ATOM 829 OG SER A 470 11.797 1.306 4.992 1.00 0.00 O ATOM 0 H SER A 470 10.418 -0.459 3.232 1.00 0.00 H new ATOM 0 HA SER A 470 8.501 1.202 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 470 10.183 1.257 6.282 1.00 0.00 H new ATOM 0 HB3 SER A 470 10.529 -0.256 5.467 1.00 0.00 H new ATOM 0 HG SER A 470 12.432 1.071 5.701 1.00 0.00 H new ATOM 835 N GLY A 471 9.323 3.613 4.352 1.00 0.00 N ATOM 836 CA GLY A 471 9.609 5.012 3.928 1.00 0.00 C ATOM 837 C GLY A 471 8.793 5.372 2.682 1.00 0.00 C ATOM 838 O GLY A 471 8.337 6.488 2.534 1.00 0.00 O ATOM 0 H GLY A 471 8.698 3.525 5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.369 5.700 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.673 5.125 3.718 1.00 0.00 H new ATOM 842 N ASP A 472 8.612 4.450 1.776 1.00 0.00 N ATOM 843 CA ASP A 472 7.837 4.768 0.541 1.00 0.00 C ATOM 844 C ASP A 472 6.349 4.939 0.857 1.00 0.00 C ATOM 845 O ASP A 472 5.800 4.278 1.717 1.00 0.00 O ATOM 846 CB ASP A 472 8.019 3.646 -0.479 1.00 0.00 C ATOM 847 CG ASP A 472 9.435 3.717 -1.052 1.00 0.00 C ATOM 848 OD1 ASP A 472 10.084 4.731 -0.852 1.00 0.00 O ATOM 849 OD2 ASP A 472 9.847 2.759 -1.682 1.00 0.00 O ATOM 0 H ASP A 472 8.965 3.495 1.836 1.00 0.00 H new ATOM 0 HA ASP A 472 8.211 5.706 0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.852 2.678 -0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 472 7.284 3.742 -1.279 1.00 0.00 H new ATOM 854 N GLN A 473 5.694 5.831 0.157 1.00 0.00 N ATOM 855 CA GLN A 473 4.242 6.067 0.397 1.00 0.00 C ATOM 856 C GLN A 473 3.419 5.096 -0.453 1.00 0.00 C ATOM 857 O GLN A 473 3.835 4.694 -1.523 1.00 0.00 O ATOM 858 CB GLN A 473 3.903 7.501 -0.008 1.00 0.00 C ATOM 859 CG GLN A 473 2.412 7.763 0.210 1.00 0.00 C ATOM 860 CD GLN A 473 2.119 9.245 -0.022 1.00 0.00 C ATOM 861 OE1 GLN A 473 3.019 10.060 -0.024 1.00 0.00 O ATOM 862 NE2 GLN A 473 0.889 9.631 -0.222 1.00 0.00 N ATOM 0 H GLN A 473 6.108 6.408 -0.575 1.00 0.00 H new ATOM 0 HA GLN A 473 4.012 5.911 1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.495 8.204 0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 473 4.161 7.664 -1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 473 1.820 7.153 -0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.125 7.478 1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 473 0.133 8.946 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 473 0.683 10.617 -0.380 1.00 0.00 H new ATOM 871 N VAL A 474 2.253 4.716 0.017 1.00 0.00 N ATOM 872 CA VAL A 474 1.388 3.767 -0.753 1.00 0.00 C ATOM 873 C VAL A 474 0.065 4.442 -1.101 1.00 0.00 C ATOM 874 O VAL A 474 -0.573 5.050 -0.262 1.00 0.00 O ATOM 875 CB VAL A 474 1.114 2.536 0.106 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.231 1.556 -0.671 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.443 1.864 0.451 1.00 0.00 C ATOM 0 H VAL A 474 1.862 5.025 0.907 1.00 0.00 H new ATOM 0 HA VAL A 474 1.896 3.475 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 474 0.602 2.832 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 474 0.036 0.677 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.713 2.039 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 474 0.741 1.254 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.257 0.983 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 474 2.949 1.566 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 474 3.072 2.563 1.002 1.00 0.00 H new ATOM 887 N GLU A 475 -0.358 4.335 -2.336 1.00 0.00 N ATOM 888 CA GLU A 475 -1.647 4.959 -2.753 1.00 0.00 C ATOM 889 C GLU A 475 -2.396 3.982 -3.662 1.00 0.00 C ATOM 890 O GLU A 475 -1.957 3.673 -4.751 1.00 0.00 O ATOM 891 CB GLU A 475 -1.361 6.259 -3.506 1.00 0.00 C ATOM 892 CG GLU A 475 -2.683 6.922 -3.892 1.00 0.00 C ATOM 893 CD GLU A 475 -2.403 8.266 -4.563 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.256 8.512 -4.898 1.00 0.00 O ATOM 895 OE2 GLU A 475 -3.340 9.028 -4.728 1.00 0.00 O ATOM 0 H GLU A 475 0.139 3.839 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.257 5.183 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -0.772 6.932 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -0.770 6.053 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.242 6.276 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.301 7.068 -3.006 1.00 0.00 H new ATOM 902 N VAL A 476 -3.518 3.484 -3.215 1.00 0.00 N ATOM 903 CA VAL A 476 -4.289 2.516 -4.044 1.00 0.00 C ATOM 904 C VAL A 476 -5.156 3.268 -5.057 1.00 0.00 C ATOM 905 O VAL A 476 -5.743 4.288 -4.750 1.00 0.00 O ATOM 906 CB VAL A 476 -5.175 1.670 -3.131 1.00 0.00 C ATOM 907 CG1 VAL A 476 -4.291 0.905 -2.147 1.00 0.00 C ATOM 908 CG2 VAL A 476 -6.129 2.581 -2.353 1.00 0.00 C ATOM 0 H VAL A 476 -3.933 3.707 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.598 1.870 -4.585 1.00 0.00 H new ATOM 0 HB VAL A 476 -5.755 0.969 -3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -4.916 0.299 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -3.609 0.258 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -3.717 1.612 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.760 1.976 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.552 3.282 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -6.755 3.135 -3.053 1.00 0.00 H new ATOM 918 N LEU A 477 -5.236 2.779 -6.266 1.00 0.00 N ATOM 919 CA LEU A 477 -6.060 3.465 -7.301 1.00 0.00 C ATOM 920 C LEU A 477 -7.470 2.874 -7.302 1.00 0.00 C ATOM 921 O LEU A 477 -7.674 1.735 -7.676 1.00 0.00 O ATOM 922 CB LEU A 477 -5.416 3.243 -8.669 1.00 0.00 C ATOM 923 CG LEU A 477 -3.968 3.749 -8.642 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.314 3.487 -10.002 1.00 0.00 C ATOM 925 CD2 LEU A 477 -3.939 5.256 -8.332 1.00 0.00 C ATOM 0 H LEU A 477 -4.764 1.931 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.116 4.532 -7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.437 2.184 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -5.982 3.768 -9.438 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.418 3.220 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.285 3.846 -9.986 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.322 2.417 -10.210 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -3.869 4.012 -10.780 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -2.906 5.604 -8.315 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.492 5.796 -9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.398 5.436 -7.360 1.00 0.00 H new ATOM 937 N SER A 478 -8.443 3.646 -6.887 1.00 0.00 N ATOM 938 CA SER A 478 -9.853 3.154 -6.854 1.00 0.00 C ATOM 939 C SER A 478 -10.638 3.836 -7.979 1.00 0.00 C ATOM 940 O SER A 478 -11.801 4.153 -7.841 1.00 0.00 O ATOM 941 CB SER A 478 -10.465 3.504 -5.498 1.00 0.00 C ATOM 942 OG SER A 478 -11.618 2.703 -5.273 1.00 0.00 O ATOM 0 H SER A 478 -8.318 4.606 -6.566 1.00 0.00 H new ATOM 0 HA SER A 478 -9.886 2.074 -6.995 1.00 0.00 H new ATOM 0 HB2 SER A 478 -9.735 3.339 -4.705 1.00 0.00 H new ATOM 0 HB3 SER A 478 -10.733 4.560 -5.470 1.00 0.00 H new ATOM 0 HG SER A 478 -12.231 2.791 -6.033 1.00 0.00 H new